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 2guf_1_A DATA FIRST_RESID 1 DATA SEQUENCE QDTSPDTLVV TANRFEQPRS TVLAPTTVVT RQDIDRWQST SVNDVLRRLP DATA SEQUENCE GVDITQXXXX XXLSSIFIRG TNASHVLVLI DGVRLNLAGV SGSADLSQFP DATA SEQUENCE IALVQRVEYI RGPRSAVYGS DAIGGVVNII TTRDEPGTEI SAGWGSNSYQ DATA SEQUENCE NYDVSTQQQL GDKTRVTLLG DYAHTHXXXX XXXXXXXXXX XXXXDGFLSK DATA SEQUENCE TLYGALEHNF TDAWSGFVRG YGYDNRTNYX XXXXXXXXXX DTRKLYSQSW DATA SEQUENCE DAGLRYNGEL IKSQLITSYS HSKDYNYDPH YGRYDSSATL DEMKQYTVQW DATA SEQUENCE ANNVIVGHGS IGAGVDWQKQ TTTPGTGYVE DGYDQRNTGI YLTGLQQVGD DATA SEQUENCE FTFEGAARSD DNSQFGRHGT WQTSAGWEFI EGYRFIASYG TSYKAPNLGQ DATA SEQUENCE LYGFYGNPNL DPEKSKQWEG AFEGLTAGVN WRISGYRNDV SDLIDYDDHT DATA SEQUENCE LKYYNEGKAR IKGVEATANF DTGPLTHTVS YDYVDARNAI TDTPLLRRAK DATA SEQUENCE QQVKYQLDWQ LYDFDWGITY QYLGTRYDKD YSSYPYQTVK MGGVSLWDLA DATA SEQUENCE VAYPVTSHLT VRGKIANLFD KDYXXXXXXX XAGREYTLSG SYTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.012 176.000 0.020 0.000 1.003 1 Q CA 0.000 55.845 55.803 0.070 0.000 1.022 1 Q CB 0.000 28.856 28.738 0.197 0.000 1.108 2 D N 1.690 122.090 120.400 -0.001 0.000 2.359 2 D HA 0.121 4.799 4.640 0.062 0.000 0.250 2 D C 0.386 176.688 176.300 0.003 0.000 1.264 2 D CA 0.717 54.711 54.000 -0.011 0.000 0.911 2 D CB 1.077 41.862 40.800 -0.025 0.000 1.056 2 D HN 0.632 nan 8.370 nan 0.000 0.499 3 T N -0.511 114.044 114.554 0.003 0.000 3.044 3 T HA 0.139 4.527 4.350 0.062 0.000 0.260 3 T C 0.857 175.548 174.700 -0.015 0.000 1.019 3 T CA -0.452 61.650 62.100 0.003 0.000 0.921 3 T CB 0.134 69.012 68.868 0.017 0.000 1.053 3 T HN 0.084 nan 8.240 nan 0.000 0.533 4 S N 4.277 119.965 115.700 -0.019 0.000 2.546 4 S HA 0.182 4.689 4.470 0.062 0.000 0.290 4 S C -1.062 173.515 174.600 -0.038 0.000 1.290 4 S CA -0.967 57.216 58.200 -0.029 0.000 1.069 4 S CB 1.126 64.311 63.200 -0.026 0.000 0.846 4 S HN 0.332 nan 8.310 nan 0.000 0.495 5 P HA -0.055 nan 4.420 nan 0.000 0.226 5 P C 0.408 177.681 177.300 -0.045 0.000 1.153 5 P CA 0.799 63.862 63.100 -0.061 0.000 0.777 5 P CB 0.205 31.852 31.700 -0.088 0.000 0.794 6 D N -0.765 119.612 120.400 -0.038 0.000 2.333 6 D HA -0.001 4.676 4.640 0.062 0.000 0.208 6 D C 0.474 176.762 176.300 -0.019 0.000 0.984 6 D CA 0.592 54.576 54.000 -0.027 0.000 0.873 6 D CB -0.376 40.408 40.800 -0.027 0.000 0.935 6 D HN 0.098 nan 8.370 nan 0.000 0.521 7 T N 1.464 116.006 114.554 -0.020 0.000 2.934 7 T HA 0.069 4.457 4.350 0.062 0.000 0.306 7 T C 0.693 175.388 174.700 -0.008 0.000 1.042 7 T CA 0.035 62.126 62.100 -0.015 0.000 1.145 7 T CB 0.582 69.439 68.868 -0.017 0.000 0.982 7 T HN -0.026 nan 8.240 nan 0.000 0.544 8 L N 4.395 125.616 121.223 -0.003 0.000 2.349 8 L HA 0.508 4.885 4.340 0.062 0.000 0.275 8 L C 0.394 177.269 176.870 0.009 0.000 1.115 8 L CA -0.674 54.170 54.840 0.007 0.000 0.820 8 L CB 0.737 42.803 42.059 0.012 0.000 1.135 8 L HN 0.417 nan 8.230 nan 0.000 0.445 9 V N 1.261 121.186 119.914 0.018 0.000 2.960 9 V HA 0.491 4.649 4.120 0.062 0.000 0.315 9 V C 0.354 176.468 176.094 0.034 0.000 1.087 9 V CA -0.580 61.731 62.300 0.019 0.000 0.982 9 V CB 1.836 33.668 31.823 0.016 0.000 1.039 9 V HN 0.561 nan 8.190 nan 0.000 0.437 10 V N -1.996 117.935 119.914 0.028 0.000 3.643 10 V HA 0.175 4.333 4.120 0.062 0.000 0.280 10 V C 1.429 177.555 176.094 0.054 0.000 1.351 10 V CA 1.233 63.553 62.300 0.034 0.000 1.073 10 V CB -0.323 31.501 31.823 0.001 0.000 0.863 10 V HN 0.918 nan 8.190 nan 0.000 0.436 11 T N 0.988 115.580 114.554 0.062 0.000 3.067 11 T HA 0.303 4.690 4.350 0.062 0.000 0.257 11 T C 2.047 176.855 174.700 0.179 0.000 1.105 11 T CA 1.294 63.458 62.100 0.107 0.000 1.104 11 T CB 0.238 69.126 68.868 0.035 0.000 0.925 11 T HN 0.661 nan 8.240 nan 0.000 0.498 12 A N 3.099 125.985 122.820 0.110 0.000 1.898 12 A HA -0.065 4.292 4.320 0.062 0.000 0.216 12 A C 1.816 179.440 177.584 0.067 0.000 1.181 12 A CA 1.613 53.708 52.037 0.096 0.000 0.620 12 A CB -0.233 18.804 19.000 0.062 0.000 0.819 12 A HN 0.603 nan 8.150 nan 0.000 0.442 13 N N -3.072 115.672 118.700 0.072 0.000 2.240 13 N HA 0.141 4.919 4.740 0.062 0.000 0.240 13 N C 0.332 175.895 175.510 0.090 0.000 1.277 13 N CA 0.246 53.331 53.050 0.057 0.000 0.873 13 N CB 0.196 38.767 38.487 0.140 0.000 1.222 13 N HN 0.468 nan 8.380 nan 0.000 0.507 14 R N -1.939 118.571 120.500 0.018 0.000 3.746 14 R HA -0.178 4.199 4.340 0.062 0.000 0.465 14 R C -0.974 175.110 176.300 -0.360 0.000 0.725 14 R CA 1.450 57.463 56.100 -0.145 0.000 1.545 14 R CB -1.881 28.261 30.300 -0.263 0.000 2.197 14 R HN 0.219 nan 8.270 nan 0.000 0.438 15 F N 1.054 121.042 119.950 0.063 0.000 2.575 15 F HA 0.377 4.941 4.527 0.062 0.000 0.330 15 F C 0.938 176.762 175.800 0.040 0.000 1.056 15 F CA -1.011 57.021 58.000 0.052 0.000 0.964 15 F CB 0.794 39.819 39.000 0.042 0.000 1.258 15 F HN -0.184 nan 8.300 nan 0.000 0.484 16 E N 1.484 121.820 120.200 0.227 0.000 2.384 16 E HA 0.233 4.620 4.350 0.062 0.000 0.266 16 E C -0.715 175.950 176.600 0.109 0.000 1.012 16 E CA -0.163 56.310 56.400 0.121 0.000 0.901 16 E CB 0.728 30.483 29.700 0.092 0.000 0.967 16 E HN 0.524 nan 8.360 nan 0.000 0.435 17 Q N 1.791 121.636 119.800 0.075 0.000 2.482 17 Q HA 0.487 4.864 4.340 0.062 0.000 0.286 17 Q C -2.962 173.059 176.000 0.035 0.000 1.007 17 Q CA -2.478 53.360 55.803 0.057 0.000 0.801 17 Q CB 1.823 30.601 28.738 0.067 0.000 1.455 17 Q HN 0.120 nan 8.270 nan 0.000 0.398 18 P HA 0.114 nan 4.420 nan 0.000 0.271 18 P C -0.147 177.155 177.300 0.003 0.000 1.216 18 P CA -0.155 62.949 63.100 0.007 0.000 0.776 18 P CB 0.623 32.322 31.700 -0.001 0.000 0.881 19 R N 1.562 122.058 120.500 -0.006 0.000 2.139 19 R HA -0.149 4.228 4.340 0.062 0.000 0.243 19 R C 2.107 178.393 176.300 -0.023 0.000 1.145 19 R CA 2.066 58.158 56.100 -0.013 0.000 0.976 19 R CB -0.801 29.486 30.300 -0.022 0.000 0.866 19 R HN 0.606 nan 8.270 nan 0.000 0.449 20 S N 0.079 115.760 115.700 -0.032 0.000 2.442 20 S HA -0.129 4.378 4.470 0.062 0.000 0.236 20 S C 1.912 176.492 174.600 -0.033 0.000 1.007 20 S CA 1.499 59.670 58.200 -0.049 0.000 0.965 20 S CB -0.373 62.790 63.200 -0.062 0.000 0.773 20 S HN 0.478 nan 8.310 nan 0.000 0.504 21 T N -1.086 113.461 114.554 -0.011 0.000 3.081 21 T HA 0.325 4.712 4.350 0.062 0.000 0.250 21 T C 0.382 175.093 174.700 0.019 0.000 1.100 21 T CA -0.214 61.891 62.100 0.008 0.000 1.038 21 T CB -0.290 68.592 68.868 0.024 0.000 0.962 21 T HN 0.165 nan 8.240 nan 0.000 0.516 22 V N 2.969 122.889 119.914 0.011 0.000 2.408 22 V HA 0.294 4.452 4.120 0.062 0.000 0.267 22 V C 1.347 177.445 176.094 0.006 0.000 1.047 22 V CA -0.377 61.932 62.300 0.015 0.000 0.937 22 V CB 0.873 32.701 31.823 0.008 0.000 0.999 22 V HN 0.435 nan 8.190 nan 0.000 0.472 23 L N 3.772 125.007 121.223 0.021 0.000 2.270 23 L HA 0.176 4.553 4.340 0.062 0.000 0.210 23 L C 1.634 178.516 176.870 0.020 0.000 1.104 23 L CA 0.594 55.450 54.840 0.026 0.000 0.804 23 L CB -0.147 41.944 42.059 0.052 0.000 0.937 23 L HN 0.761 nan 8.230 nan 0.000 0.450 24 A N 0.690 123.512 122.820 0.005 0.000 2.425 24 A HA 0.326 4.683 4.320 0.062 0.000 0.242 24 A C -2.236 175.320 177.584 -0.046 0.000 1.077 24 A CA -1.004 51.019 52.037 -0.022 0.000 0.781 24 A CB -0.488 18.486 19.000 -0.042 0.000 1.020 24 A HN -0.058 nan 8.150 nan 0.000 0.494 25 P HA 0.254 nan 4.420 nan 0.000 0.271 25 P C -0.347 176.860 177.300 -0.156 0.000 1.220 25 P CA 0.308 63.352 63.100 -0.094 0.000 0.768 25 P CB 0.702 32.340 31.700 -0.103 0.000 0.848 26 T N -0.324 114.157 114.554 -0.121 0.000 2.876 26 T HA 0.667 5.055 4.350 0.062 0.000 0.289 26 T C -0.525 174.124 174.700 -0.084 0.000 1.014 26 T CA -0.647 61.381 62.100 -0.120 0.000 0.986 26 T CB 1.141 69.973 68.868 -0.060 0.000 1.021 26 T HN 0.147 nan 8.240 nan 0.000 0.458 27 T N 1.737 116.258 114.554 -0.054 0.000 2.876 27 T HA 0.645 5.033 4.350 0.062 0.000 0.289 27 T C -0.753 173.992 174.700 0.075 0.000 1.014 27 T CA -0.640 61.486 62.100 0.044 0.000 0.986 27 T CB 1.627 70.582 68.868 0.146 0.000 1.021 27 T HN 0.654 nan 8.240 nan 0.000 0.458 28 V N 3.172 123.124 119.914 0.063 0.000 2.487 28 V HA 0.550 4.707 4.120 0.062 0.000 0.298 28 V C -0.386 175.740 176.094 0.053 0.000 1.028 28 V CA -0.744 61.583 62.300 0.045 0.000 0.860 28 V CB 1.875 33.705 31.823 0.012 0.000 0.991 28 V HN 0.717 nan 8.190 nan 0.000 0.427 29 V N 3.993 123.934 119.914 0.044 0.000 2.513 29 V HA 0.672 4.829 4.120 0.062 0.000 0.299 29 V C 0.430 176.480 176.094 -0.072 0.000 1.035 29 V CA -0.352 61.954 62.300 0.010 0.000 0.889 29 V CB 2.149 34.027 31.823 0.092 0.000 0.988 29 V HN 1.035 nan 8.190 nan 0.000 0.440 30 T N 1.391 115.853 114.554 -0.154 0.000 2.949 30 T HA 0.479 4.866 4.350 0.062 0.000 0.287 30 T C 0.816 175.394 174.700 -0.203 0.000 1.034 30 T CA -0.666 61.342 62.100 -0.154 0.000 1.018 30 T CB 1.841 70.620 68.868 -0.148 0.000 1.135 30 T HN 0.401 nan 8.240 nan 0.000 0.532 31 R N 0.260 120.661 120.500 -0.164 0.000 2.127 31 R HA -0.108 4.270 4.340 0.062 0.000 0.238 31 R C 2.486 178.658 176.300 -0.213 0.000 1.134 31 R CA 2.014 58.012 56.100 -0.169 0.000 0.975 31 R CB -0.935 29.285 30.300 -0.133 0.000 0.865 31 R HN 0.866 nan 8.270 nan 0.000 0.447 32 Q N 0.044 119.715 119.800 -0.216 0.000 2.077 32 Q HA -0.224 4.154 4.340 0.062 0.000 0.206 32 Q C 0.982 176.749 176.000 -0.388 0.000 0.989 32 Q CA 2.185 57.841 55.803 -0.245 0.000 0.853 32 Q CB -0.149 28.467 28.738 -0.203 0.000 0.907 32 Q HN 0.402 nan 8.270 nan 0.000 0.418 33 D N 0.393 120.468 120.400 -0.541 0.000 2.092 33 D HA -0.164 4.513 4.640 0.062 0.000 0.193 33 D C 2.029 177.628 176.300 -1.169 0.000 0.994 33 D CA 1.333 54.684 54.000 -1.082 0.000 0.828 33 D CB -0.311 39.698 40.800 -1.319 0.000 0.963 33 D HN 0.366 nan 8.370 nan 0.000 0.450 34 I N 1.289 121.466 120.570 -0.655 0.000 2.163 34 I HA -0.266 3.941 4.170 0.062 0.000 0.243 34 I C 1.962 177.968 176.117 -0.185 0.000 1.085 34 I CA 1.148 62.280 61.300 -0.279 0.000 1.347 34 I CB -0.143 37.774 38.000 -0.137 0.000 1.044 34 I HN -0.117 nan 8.210 nan 0.000 0.408 35 D N 0.532 120.801 120.400 -0.218 0.000 2.117 35 D HA -0.136 4.541 4.640 0.062 0.000 0.197 35 D C 2.381 178.602 176.300 -0.132 0.000 0.987 35 D CA 1.173 55.086 54.000 -0.145 0.000 0.829 35 D CB -0.178 40.534 40.800 -0.146 0.000 0.961 35 D HN 0.288 nan 8.370 nan 0.000 0.460 36 R N -0.255 120.116 120.500 -0.215 0.000 2.075 36 R HA -0.089 4.288 4.340 0.062 0.000 0.232 36 R C 2.254 178.561 176.300 0.012 0.000 1.126 36 R CA 0.856 56.865 56.100 -0.152 0.000 0.963 36 R CB -0.215 29.942 30.300 -0.240 0.000 0.858 36 R HN 0.283 nan 8.270 nan 0.000 0.435 37 W N 1.021 122.293 121.300 -0.047 0.000 2.465 37 W HA -0.047 4.651 4.660 0.064 0.000 0.268 37 W C 0.519 177.007 176.519 -0.052 0.000 1.242 37 W CA 0.383 57.703 57.345 -0.042 0.000 1.248 37 W CB -0.521 28.914 29.460 -0.042 0.000 1.118 37 W HN 0.285 nan 8.180 nan 0.000 0.587 38 Q N -0.512 119.372 119.800 0.139 0.000 2.478 38 Q HA -0.169 4.208 4.340 0.062 0.000 0.286 38 Q C 0.146 176.167 176.000 0.034 0.000 1.299 38 Q CA 0.430 56.263 55.803 0.049 0.000 0.826 38 Q CB -1.884 26.868 28.738 0.023 0.000 1.199 38 Q HN -0.074 nan 8.270 nan 0.000 0.451 39 S N 0.077 115.826 115.700 0.082 0.000 2.562 39 S HA 0.178 4.686 4.470 0.062 0.000 0.281 39 S C 1.332 175.922 174.600 -0.018 0.000 1.333 39 S CA 0.382 58.608 58.200 0.044 0.000 1.052 39 S CB 0.925 64.190 63.200 0.108 0.000 0.884 39 S HN 0.459 nan 8.310 nan 0.000 0.506 40 T N -1.724 112.790 114.554 -0.067 0.000 3.044 40 T HA 0.333 4.720 4.350 0.062 0.000 0.260 40 T C 0.372 175.048 174.700 -0.039 0.000 1.019 40 T CA -0.023 62.034 62.100 -0.072 0.000 0.921 40 T CB -0.141 68.592 68.868 -0.224 0.000 1.053 40 T HN 0.615 nan 8.240 nan 0.000 0.533 41 S N -0.798 114.873 115.700 -0.048 0.000 2.615 41 S HA 0.545 5.052 4.470 0.062 0.000 0.269 41 S C 0.527 175.100 174.600 -0.045 0.000 1.161 41 S CA -0.514 57.651 58.200 -0.058 0.000 0.817 41 S CB 1.391 64.528 63.200 -0.105 0.000 1.131 41 S HN -0.132 nan 8.310 nan 0.000 0.467 42 V N 1.726 121.613 119.914 -0.046 0.000 2.548 42 V HA -0.079 4.078 4.120 0.062 0.000 0.249 42 V C 2.289 178.329 176.094 -0.089 0.000 1.055 42 V CA 1.810 64.080 62.300 -0.051 0.000 1.065 42 V CB -1.165 30.629 31.823 -0.048 0.000 0.681 42 V HN 0.838 nan 8.190 nan 0.000 0.462 43 N N 0.607 119.244 118.700 -0.106 0.000 2.149 43 N HA -0.200 4.577 4.740 0.062 0.000 0.188 43 N C 1.625 177.062 175.510 -0.122 0.000 1.019 43 N CA 1.790 54.765 53.050 -0.125 0.000 0.857 43 N CB -0.447 37.964 38.487 -0.128 0.000 0.997 43 N HN 0.577 nan 8.380 nan 0.000 0.426 44 D N -0.376 119.963 120.400 -0.102 0.000 2.263 44 D HA -0.055 4.622 4.640 0.062 0.000 0.208 44 D C 1.668 177.903 176.300 -0.109 0.000 0.971 44 D CA 0.405 54.341 54.000 -0.107 0.000 0.867 44 D CB 0.297 41.050 40.800 -0.079 0.000 0.929 44 D HN -0.011 nan 8.370 nan 0.000 0.492 45 V N 0.036 119.920 119.914 -0.051 0.000 2.331 45 V HA -0.127 4.030 4.120 0.062 0.000 0.242 45 V C 2.511 178.545 176.094 -0.100 0.000 1.034 45 V CA 0.941 63.247 62.300 0.010 0.000 1.027 45 V CB -0.417 31.455 31.823 0.082 0.000 0.667 45 V HN 0.284 nan 8.190 nan 0.000 0.457 46 L N 0.752 121.891 121.223 -0.141 0.000 2.046 46 L HA -0.206 4.172 4.340 0.062 0.000 0.208 46 L C 2.815 179.565 176.870 -0.200 0.000 1.077 46 L CA 2.142 56.856 54.840 -0.209 0.000 0.747 46 L CB -0.833 41.081 42.059 -0.242 0.000 0.896 46 L HN 0.452 nan 8.230 nan 0.000 0.432 47 R N 0.816 121.203 120.500 -0.187 0.000 2.211 47 R HA -0.185 4.192 4.340 0.062 0.000 0.240 47 R C 1.927 178.105 176.300 -0.204 0.000 1.144 47 R CA 1.343 57.333 56.100 -0.184 0.000 0.992 47 R CB -0.476 29.715 30.300 -0.182 0.000 0.869 47 R HN 0.350 nan 8.270 nan 0.000 0.462 48 R N 0.581 120.931 120.500 -0.250 0.000 2.297 48 R HA 0.250 4.628 4.340 0.062 0.000 0.197 48 R C 0.217 176.419 176.300 -0.164 0.000 0.943 48 R CA 0.175 56.097 56.100 -0.297 0.000 1.038 48 R CB 0.091 30.044 30.300 -0.578 0.000 0.957 48 R HN 0.186 nan 8.270 nan 0.000 0.484 49 L N 0.779 121.952 121.223 -0.084 0.000 2.334 49 L HA 0.469 4.847 4.340 0.062 0.000 0.270 49 L C -2.332 174.604 176.870 0.110 0.000 1.018 49 L CA -2.895 51.978 54.840 0.055 0.000 0.811 49 L CB 1.007 43.145 42.059 0.132 0.000 1.271 49 L HN -0.347 nan 8.230 nan 0.000 0.443 50 P HA 0.036 nan 4.420 nan 0.000 0.264 50 P C 0.706 178.106 177.300 0.167 0.000 1.183 50 P CA 0.909 64.083 63.100 0.123 0.000 0.763 50 P CB 0.624 32.370 31.700 0.077 0.000 0.807 51 G N 1.171 110.025 108.800 0.090 0.000 2.205 51 G HA2 -0.222 3.775 3.960 0.062 0.000 0.261 51 G HA3 -0.222 3.775 3.960 0.062 0.000 0.261 51 G C 0.042 174.983 174.900 0.069 0.000 0.980 51 G CA -0.009 45.146 45.100 0.092 0.000 0.632 51 G HN 0.531 nan 8.290 nan 0.000 0.533 52 V N 1.516 121.451 119.914 0.036 0.000 2.407 52 V HA 0.578 4.736 4.120 0.062 0.000 0.278 52 V C -0.274 175.793 176.094 -0.045 0.000 1.037 52 V CA -0.050 62.237 62.300 -0.022 0.000 0.900 52 V CB 1.770 33.534 31.823 -0.099 0.000 0.983 52 V HN 0.384 nan 8.190 nan 0.000 0.459 53 D N 5.467 125.856 120.400 -0.018 0.000 2.440 53 D HA 0.455 5.132 4.640 0.062 0.000 0.252 53 D C -0.816 175.476 176.300 -0.014 0.000 1.180 53 D CA -0.229 53.761 54.000 -0.016 0.000 0.894 53 D CB 0.841 41.667 40.800 0.044 0.000 1.111 53 D HN 0.420 nan 8.370 nan 0.000 0.544 54 I N 2.954 123.485 120.570 -0.066 0.000 2.436 54 I HA 0.352 4.559 4.170 0.062 0.000 0.289 54 I C -0.159 175.926 176.117 -0.054 0.000 1.010 54 I CA -0.726 60.531 61.300 -0.072 0.000 1.098 54 I CB 2.219 40.155 38.000 -0.106 0.000 1.266 54 I HN 0.367 nan 8.210 nan 0.000 0.434 55 T N 1.884 116.428 114.554 -0.016 0.000 2.841 55 T HA 0.618 5.005 4.350 0.062 0.000 0.285 55 T C -0.588 174.125 174.700 0.021 0.000 0.991 55 T CA -0.797 61.321 62.100 0.031 0.000 0.966 55 T CB 2.184 71.096 68.868 0.074 0.000 0.962 55 T HN 0.503 nan 8.240 nan 0.000 0.438 64 S N 0.380 116.039 115.700 -0.069 0.000 2.535 64 S HA 0.621 5.128 4.470 0.062 0.000 0.272 64 S C -1.081 173.456 174.600 -0.104 0.000 1.149 64 S CA -0.767 57.387 58.200 -0.077 0.000 0.888 64 S CB 2.148 65.290 63.200 -0.096 0.000 1.110 64 S HN 0.425 nan 8.310 nan 0.000 0.463 65 S N 2.078 117.731 115.700 -0.079 0.000 2.438 65 S HA 0.696 5.203 4.470 0.062 0.000 0.316 65 S C -0.708 173.782 174.600 -0.184 0.000 1.084 65 S CA -0.753 57.376 58.200 -0.119 0.000 1.107 65 S CB -0.392 62.827 63.200 0.032 0.000 0.981 65 S HN 0.629 nan 8.310 nan 0.000 0.466 66 I N 5.104 125.441 120.570 -0.389 0.000 2.436 66 I HA 0.493 4.700 4.170 0.062 0.000 0.289 66 I C -1.238 174.506 176.117 -0.621 0.000 1.010 66 I CA -0.646 60.447 61.300 -0.345 0.000 1.098 66 I CB 1.620 39.465 38.000 -0.258 0.000 1.266 66 I HN 0.518 nan 8.210 nan 0.000 0.434 67 F N 6.224 126.148 119.950 -0.044 0.000 2.540 67 F HA 0.611 5.177 4.527 0.065 0.000 0.317 67 F C -0.206 175.572 175.800 -0.035 0.000 1.104 67 F CA -0.582 57.400 58.000 -0.030 0.000 0.913 67 F CB 2.017 41.000 39.000 -0.028 0.000 1.170 67 F HN 0.155 nan 8.300 nan 0.000 0.450 68 I N 3.420 124.072 120.570 0.136 0.000 2.439 68 I HA 0.390 4.597 4.170 0.062 0.000 0.285 68 I C -0.119 176.054 176.117 0.093 0.000 1.021 68 I CA -0.880 60.471 61.300 0.086 0.000 1.091 68 I CB 1.724 39.751 38.000 0.045 0.000 1.242 68 I HN 0.616 nan 8.210 nan 0.000 0.439 69 R N 4.171 124.729 120.500 0.096 0.000 3.516 69 R HA -0.231 4.146 4.340 0.062 0.000 0.271 69 R C 0.968 177.350 176.300 0.136 0.000 1.098 69 R CA 0.666 56.834 56.100 0.113 0.000 0.732 69 R CB -1.733 28.516 30.300 -0.085 0.000 1.152 69 R HN 1.217 nan 8.270 nan 0.000 0.455 70 G N -1.418 107.457 108.800 0.124 0.000 2.175 70 G HA2 -0.350 3.647 3.960 0.062 0.000 0.244 70 G HA3 -0.350 3.647 3.960 0.062 0.000 0.244 70 G C 0.195 175.152 174.900 0.094 0.000 0.982 70 G CA 0.554 45.694 45.100 0.068 0.000 0.641 70 G HN 0.758 nan 8.290 nan 0.000 0.527 71 T N -1.052 113.586 114.554 0.140 0.000 2.930 71 T HA 0.630 5.017 4.350 0.062 0.000 0.290 71 T C 0.165 175.012 174.700 0.246 0.000 1.052 71 T CA -0.012 62.147 62.100 0.097 0.000 1.017 71 T CB 1.962 70.619 68.868 -0.352 0.000 1.137 71 T HN 0.868 nan 8.240 nan 0.000 0.511 72 N N 0.425 119.244 118.700 0.199 0.000 2.371 72 N HA 0.299 5.076 4.740 0.062 0.000 0.243 72 N C 1.399 176.940 175.510 0.051 0.000 1.287 72 N CA -0.066 52.947 53.050 -0.062 0.000 0.911 72 N CB 0.112 38.514 38.487 -0.142 0.000 1.142 72 N HN 0.855 nan 8.380 nan 0.000 0.451 73 A N 0.235 122.973 122.820 -0.136 0.000 2.125 73 A HA -0.146 4.211 4.320 0.062 0.000 0.219 73 A C 2.021 179.544 177.584 -0.103 0.000 1.156 73 A CA 1.650 53.618 52.037 -0.114 0.000 0.671 73 A CB -1.307 17.586 19.000 -0.179 0.000 0.794 73 A HN 0.881 nan 8.150 nan 0.000 0.459 74 S N -0.879 114.751 115.700 -0.117 0.000 2.507 74 S HA -0.147 4.360 4.470 0.062 0.000 0.235 74 S C 1.179 175.553 174.600 -0.376 0.000 0.988 74 S CA 1.247 59.300 58.200 -0.246 0.000 0.944 74 S CB -0.703 62.324 63.200 -0.289 0.000 0.762 74 S HN 0.716 nan 8.310 nan 0.000 0.526 75 H N -0.191 118.810 119.070 -0.116 0.000 2.526 75 H HA 0.512 5.107 4.556 0.065 0.000 0.274 75 H C -0.384 174.878 175.328 -0.110 0.000 0.999 75 H CA -0.022 55.959 56.048 -0.111 0.000 1.157 75 H CB 0.347 30.064 29.762 -0.076 0.000 1.407 75 H HN 0.236 nan 8.280 nan 0.000 0.568 76 V N 1.840 121.722 119.914 -0.055 0.000 2.448 76 V HA 0.144 4.301 4.120 0.062 0.000 0.295 76 V C -0.659 175.356 176.094 -0.131 0.000 1.025 76 V CA -1.081 61.179 62.300 -0.068 0.000 0.859 76 V CB 2.009 33.806 31.823 -0.044 0.000 0.988 76 V HN 0.115 nan 8.190 nan 0.000 0.431 77 L N 7.385 128.520 121.223 -0.147 0.000 2.290 77 L HA 0.559 4.937 4.340 0.062 0.000 0.284 77 L C -0.300 176.441 176.870 -0.215 0.000 1.078 77 L CA 0.420 55.144 54.840 -0.195 0.000 0.815 77 L CB 1.399 43.325 42.059 -0.221 0.000 1.162 77 L HN 0.420 nan 8.230 nan 0.000 0.435 78 V N 6.917 126.704 119.914 -0.212 0.000 2.407 78 V HA 0.418 4.575 4.120 0.062 0.000 0.278 78 V C 0.253 176.208 176.094 -0.231 0.000 1.037 78 V CA -0.453 61.710 62.300 -0.229 0.000 0.900 78 V CB 1.094 32.780 31.823 -0.230 0.000 0.983 78 V HN 0.659 nan 8.190 nan 0.000 0.459 79 L N 5.394 126.468 121.223 -0.248 0.000 2.333 79 L HA 0.657 5.034 4.340 0.062 0.000 0.269 79 L C -0.883 175.871 176.870 -0.193 0.000 1.010 79 L CA -0.839 53.877 54.840 -0.207 0.000 0.818 79 L CB 2.166 44.081 42.059 -0.240 0.000 1.306 79 L HN 0.354 nan 8.230 nan 0.000 0.430 80 I N 1.525 122.029 120.570 -0.111 0.000 2.382 80 I HA 0.223 4.430 4.170 0.062 0.000 0.286 80 I C -0.303 175.824 176.117 0.017 0.000 1.002 80 I CA -0.328 60.934 61.300 -0.065 0.000 1.135 80 I CB 1.123 39.161 38.000 0.064 0.000 1.288 80 I HN 0.664 nan 8.210 nan 0.000 0.448 81 D N 5.498 125.890 120.400 -0.013 0.000 2.689 81 D HA -0.189 4.489 4.640 0.062 0.000 0.237 81 D C 1.275 177.587 176.300 0.019 0.000 1.148 81 D CA 1.417 55.416 54.000 -0.001 0.000 0.656 81 D CB -0.768 40.047 40.800 0.026 0.000 1.050 81 D HN 1.153 nan 8.370 nan 0.000 0.426 82 G N -2.134 106.660 108.800 -0.010 0.000 2.179 82 G HA2 -0.317 3.681 3.960 0.062 0.000 0.260 82 G HA3 -0.317 3.681 3.960 0.062 0.000 0.260 82 G C 0.345 175.276 174.900 0.052 0.000 0.977 82 G CA 0.379 45.492 45.100 0.022 0.000 0.641 82 G HN 0.623 nan 8.290 nan 0.000 0.533 83 V N 1.415 121.356 119.914 0.046 0.000 2.448 83 V HA 0.508 4.666 4.120 0.062 0.000 0.295 83 V C 1.063 177.163 176.094 0.011 0.000 1.025 83 V CA -0.892 61.452 62.300 0.073 0.000 0.859 83 V CB 1.703 33.603 31.823 0.129 0.000 0.988 83 V HN 0.539 nan 8.190 nan 0.000 0.431 84 R N 3.339 123.836 120.500 -0.005 0.000 2.481 84 R HA -0.022 4.356 4.340 0.062 0.000 0.291 84 R C -0.586 175.696 176.300 -0.031 0.000 0.934 84 R CA -0.259 55.812 56.100 -0.047 0.000 1.116 84 R CB 0.163 30.441 30.300 -0.036 0.000 0.895 84 R HN 0.574 nan 8.270 nan 0.000 0.410 85 L N 4.883 126.067 121.223 -0.065 0.000 2.319 85 L HA 0.149 4.526 4.340 0.062 0.000 0.280 85 L C -0.221 176.632 176.870 -0.027 0.000 1.099 85 L CA -0.144 54.678 54.840 -0.030 0.000 0.828 85 L CB 0.886 42.897 42.059 -0.081 0.000 1.150 85 L HN 0.614 nan 8.230 nan 0.000 0.442 86 N N 5.289 123.988 118.700 -0.001 0.000 2.411 86 N HA -0.009 4.768 4.740 0.062 0.000 0.282 86 N C -0.380 175.130 175.510 -0.000 0.000 1.322 86 N CA 0.559 53.604 53.050 -0.008 0.000 0.943 86 N CB -0.119 38.359 38.487 -0.014 0.000 1.266 86 N HN 0.720 nan 8.380 nan 0.000 0.486 87 L N 2.274 123.482 121.223 -0.025 0.000 3.209 87 L HA 0.333 4.710 4.340 0.062 0.000 0.279 87 L C 1.139 177.993 176.870 -0.028 0.000 1.301 87 L CA -0.247 54.576 54.840 -0.027 0.000 1.004 87 L CB 0.324 42.346 42.059 -0.060 0.000 1.402 87 L HN 0.468 nan 8.230 nan 0.000 0.577 88 A N -0.287 122.528 122.820 -0.009 0.000 2.345 88 A HA 0.419 4.776 4.320 0.062 0.000 0.225 88 A C 1.311 178.920 177.584 0.041 0.000 1.243 88 A CA 0.169 52.208 52.037 0.004 0.000 0.875 88 A CB -0.186 18.823 19.000 0.015 0.000 0.929 88 A HN 0.379 nan 8.150 nan 0.000 0.502 89 G N -0.965 107.864 108.800 0.048 0.000 2.699 89 G HA2 0.283 4.281 3.960 0.062 0.000 0.246 89 G HA3 0.283 4.281 3.960 0.062 0.000 0.246 89 G C 1.132 176.098 174.900 0.111 0.000 1.219 89 G CA 0.165 45.310 45.100 0.074 0.000 0.866 89 G HN 0.162 nan 8.290 nan 0.000 0.572 90 V N 0.696 120.691 119.914 0.135 0.000 2.278 90 V HA -0.224 3.933 4.120 0.062 0.000 0.251 90 V C 2.897 179.168 176.094 0.296 0.000 1.062 90 V CA 2.590 65.015 62.300 0.207 0.000 1.038 90 V CB -0.636 31.282 31.823 0.159 0.000 0.646 90 V HN 0.651 nan 8.190 nan 0.000 0.447 91 S N -0.772 115.047 115.700 0.198 0.000 2.607 91 S HA 0.295 4.803 4.470 0.062 0.000 0.224 91 S C 1.314 175.930 174.600 0.026 0.000 0.969 91 S CA 0.547 58.812 58.200 0.108 0.000 0.927 91 S CB -0.319 62.909 63.200 0.047 0.000 0.772 91 S HN 0.988 nan 8.310 nan 0.000 0.533 92 G N 1.986 110.828 108.800 0.070 0.000 2.582 92 G HA2 -0.346 3.651 3.960 0.062 0.000 0.288 92 G HA3 -0.346 3.651 3.960 0.062 0.000 0.288 92 G C 0.889 175.766 174.900 -0.038 0.000 1.247 92 G CA 0.298 45.409 45.100 0.019 0.000 0.972 92 G HN 0.385 nan 8.290 nan 0.000 0.557 93 S N 1.047 116.700 115.700 -0.079 0.000 2.547 93 S HA 0.184 4.691 4.470 0.062 0.000 0.235 93 S C 2.565 177.101 174.600 -0.106 0.000 0.980 93 S CA 1.500 59.638 58.200 -0.103 0.000 0.941 93 S CB -0.401 62.718 63.200 -0.135 0.000 0.763 93 S HN 1.504 nan 8.310 nan 0.000 0.532 94 A N 1.670 124.422 122.820 -0.114 0.000 2.076 94 A HA -0.148 4.210 4.320 0.062 0.000 0.220 94 A C 1.582 179.132 177.584 -0.058 0.000 1.160 94 A CA 1.335 53.305 52.037 -0.113 0.000 0.653 94 A CB -0.348 18.567 19.000 -0.142 0.000 0.801 94 A HN 0.302 nan 8.150 nan 0.000 0.455 95 D N -0.694 119.693 120.400 -0.022 0.000 2.371 95 D HA -0.050 4.627 4.640 0.062 0.000 0.221 95 D C 1.582 177.901 176.300 0.032 0.000 0.986 95 D CA 0.281 54.298 54.000 0.029 0.000 0.899 95 D CB -0.100 40.736 40.800 0.060 0.000 0.902 95 D HN 0.365 nan 8.370 nan 0.000 0.530 96 L N 1.301 122.511 121.223 -0.021 0.000 2.129 96 L HA -0.185 4.193 4.340 0.062 0.000 0.212 96 L C 2.039 178.901 176.870 -0.013 0.000 1.087 96 L CA 1.631 56.451 54.840 -0.035 0.000 0.757 96 L CB -0.892 41.105 42.059 -0.104 0.000 0.896 96 L HN 0.000 nan 8.230 nan 0.000 0.434 97 S N -2.216 113.453 115.700 -0.051 0.000 2.555 97 S HA -0.099 4.409 4.470 0.062 0.000 0.230 97 S C 1.647 176.199 174.600 -0.081 0.000 0.978 97 S CA 0.312 58.453 58.200 -0.099 0.000 0.934 97 S CB -0.395 62.707 63.200 -0.163 0.000 0.766 97 S HN 0.561 nan 8.310 nan 0.000 0.533 98 Q N 0.137 119.959 119.800 0.035 0.000 2.331 98 Q HA 0.287 4.665 4.340 0.062 0.000 0.203 98 Q C 0.019 176.015 176.000 -0.007 0.000 0.944 98 Q CA 0.061 55.942 55.803 0.130 0.000 0.892 98 Q CB -0.215 28.654 28.738 0.219 0.000 0.983 98 Q HN 0.713 nan 8.270 nan 0.000 0.482 99 F N 3.818 123.670 119.950 -0.165 0.000 2.504 99 F HA 0.139 4.704 4.527 0.063 0.000 0.369 99 F C -1.933 173.674 175.800 -0.323 0.000 1.082 99 F CA -2.316 55.494 58.000 -0.318 0.000 1.216 99 F CB 0.809 39.723 39.000 -0.143 0.000 1.108 99 F HN -0.109 nan 8.300 nan 0.000 0.554 100 P HA 0.039 nan 4.420 nan 0.000 0.276 100 P C 0.704 177.870 177.300 -0.224 0.000 1.243 100 P CA -0.102 62.715 63.100 -0.471 0.000 0.768 100 P CB 0.932 32.267 31.700 -0.610 0.000 0.856 101 I N 4.116 124.639 120.570 -0.079 0.000 2.423 101 I HA -0.247 3.960 4.170 0.062 0.000 0.254 101 I C 1.964 178.034 176.117 -0.078 0.000 1.151 101 I CA 1.339 62.622 61.300 -0.028 0.000 1.421 101 I CB -1.077 36.913 38.000 -0.016 0.000 1.079 101 I HN 0.431 nan 8.210 nan 0.000 0.431 102 A N -0.638 122.104 122.820 -0.131 0.000 2.131 102 A HA -0.125 4.233 4.320 0.062 0.000 0.220 102 A C 1.889 179.356 177.584 -0.196 0.000 1.158 102 A CA 1.301 53.253 52.037 -0.141 0.000 0.665 102 A CB -0.570 18.347 19.000 -0.138 0.000 0.795 102 A HN 0.409 nan 8.150 nan 0.000 0.460 103 L N -0.990 120.098 121.223 -0.225 0.000 2.590 103 L HA 0.177 4.555 4.340 0.062 0.000 0.227 103 L C 0.432 177.213 176.870 -0.147 0.000 1.099 103 L CA 0.462 55.126 54.840 -0.294 0.000 0.872 103 L CB 0.294 42.105 42.059 -0.414 0.000 1.088 103 L HN 0.082 nan 8.230 nan 0.000 0.479 104 V N 1.395 121.284 119.914 -0.042 0.000 2.415 104 V HA 0.086 4.243 4.120 0.062 0.000 0.267 104 V C 1.065 177.104 176.094 -0.092 0.000 1.042 104 V CA -0.102 62.180 62.300 -0.031 0.000 1.000 104 V CB 0.755 32.575 31.823 -0.005 0.000 1.015 104 V HN 0.343 nan 8.190 nan 0.000 0.478 105 Q N 3.689 123.423 119.800 -0.110 0.000 2.350 105 Q HA 0.293 4.671 4.340 0.062 0.000 0.225 105 Q C 0.761 176.701 176.000 -0.099 0.000 0.878 105 Q CA 0.259 55.990 55.803 -0.119 0.000 0.935 105 Q CB 1.201 29.857 28.738 -0.136 0.000 1.099 105 Q HN 0.760 nan 8.270 nan 0.000 0.527 106 R N -0.607 119.843 120.500 -0.084 0.000 2.664 106 R HA 0.490 4.867 4.340 0.062 0.000 0.266 106 R C -1.955 174.308 176.300 -0.061 0.000 1.046 106 R CA -0.294 55.763 56.100 -0.071 0.000 0.885 106 R CB 1.661 31.924 30.300 -0.063 0.000 1.254 106 R HN -0.131 nan 8.270 nan 0.000 0.465 107 V N 2.470 122.360 119.914 -0.041 0.000 2.525 107 V HA 0.402 4.559 4.120 0.062 0.000 0.299 107 V C -0.897 175.199 176.094 0.003 0.000 1.034 107 V CA -0.742 61.538 62.300 -0.035 0.000 0.863 107 V CB 1.847 33.652 31.823 -0.030 0.000 0.999 107 V HN 0.755 nan 8.190 nan 0.000 0.423 108 E N 3.535 123.736 120.200 0.002 0.000 2.171 108 E HA 0.513 4.901 4.350 0.062 0.000 0.271 108 E C -1.765 174.890 176.600 0.092 0.000 0.916 108 E CA -0.710 55.712 56.400 0.037 0.000 0.774 108 E CB 2.441 32.146 29.700 0.009 0.000 1.128 108 E HN 0.613 nan 8.360 nan 0.000 0.403 109 Y N 4.426 124.696 120.300 -0.050 0.000 2.327 109 Y HA 0.437 5.023 4.550 0.060 0.000 0.325 109 Y C -1.666 174.205 175.900 -0.047 0.000 0.999 109 Y CA -1.137 56.926 58.100 -0.061 0.000 1.195 109 Y CB 0.586 39.014 38.460 -0.054 0.000 1.132 109 Y HN 0.421 nan 8.280 nan 0.000 0.455 110 I N 7.343 127.821 120.570 -0.152 0.000 2.418 110 I HA 0.508 4.716 4.170 0.062 0.000 0.287 110 I C -0.178 175.762 176.117 -0.295 0.000 1.008 110 I CA -0.927 60.236 61.300 -0.228 0.000 1.104 110 I CB 1.722 39.676 38.000 -0.076 0.000 1.264 110 I HN 0.541 nan 8.210 nan 0.000 0.438 111 R N 3.370 123.629 120.500 -0.402 0.000 2.528 111 R HA 0.746 5.123 4.340 0.062 0.000 0.271 111 R C 0.280 176.456 176.300 -0.206 0.000 1.056 111 R CA -0.177 55.722 56.100 -0.335 0.000 1.117 111 R CB 1.314 31.373 30.300 -0.401 0.000 1.085 111 R HN 0.927 nan 8.270 nan 0.000 0.530 112 G N 1.392 110.073 108.800 -0.198 0.000 2.663 112 G HA2 -0.148 3.849 3.960 0.062 0.000 0.686 112 G HA3 -0.148 3.849 3.960 0.062 0.000 0.686 112 G C -2.819 171.997 174.900 -0.139 0.000 1.288 112 G CA -1.181 43.813 45.100 -0.177 0.000 0.836 112 G HN 0.452 nan 8.290 nan 0.000 0.584 113 P HA 0.382 nan 4.420 nan 0.000 0.272 113 P C 0.002 177.247 177.300 -0.092 0.000 1.223 113 P CA 0.002 63.017 63.100 -0.142 0.000 0.784 113 P CB 1.094 32.663 31.700 -0.217 0.000 0.923 114 R N 0.798 121.271 120.500 -0.045 0.000 2.521 114 R HA 0.191 4.568 4.340 0.062 0.000 0.436 114 R C 1.188 177.516 176.300 0.045 0.000 0.917 114 R CA 0.101 56.215 56.100 0.025 0.000 1.080 114 R CB -0.146 30.244 30.300 0.149 0.000 1.530 114 R HN 0.293 nan 8.270 nan 0.000 0.596 115 S N -0.019 115.673 115.700 -0.013 0.000 2.399 115 S HA -0.101 4.407 4.470 0.062 0.000 0.231 115 S C 1.762 176.388 174.600 0.043 0.000 1.022 115 S CA 1.330 59.531 58.200 0.002 0.000 0.983 115 S CB 0.126 63.333 63.200 0.011 0.000 0.803 115 S HN 0.539 nan 8.310 nan 0.000 0.480 116 A N 0.308 123.144 122.820 0.027 0.000 2.248 116 A HA 0.085 4.443 4.320 0.062 0.000 0.210 116 A C 1.810 179.374 177.584 -0.034 0.000 1.174 116 A CA 0.870 52.943 52.037 0.059 0.000 0.750 116 A CB -0.219 18.831 19.000 0.085 0.000 0.780 116 A HN 0.379 nan 8.150 nan 0.000 0.478 117 V N -3.154 116.625 119.914 -0.225 0.000 2.996 117 V HA 0.031 4.188 4.120 0.062 0.000 0.235 117 V C 1.608 177.230 176.094 -0.786 0.000 1.205 117 V CA 0.829 62.724 62.300 -0.674 0.000 1.225 117 V CB -0.508 30.803 31.823 -0.854 0.000 0.995 117 V HN 0.592 nan 8.190 nan 0.000 0.484 118 Y N 0.592 120.771 120.300 -0.201 0.000 2.442 118 Y HA 0.570 5.158 4.550 0.062 0.000 0.250 118 Y C 1.437 177.284 175.900 -0.088 0.000 1.113 118 Y CA 0.611 58.617 58.100 -0.156 0.000 1.273 118 Y CB 0.874 39.251 38.460 -0.139 0.000 1.138 118 Y HN 0.372 nan 8.280 nan 0.000 0.522 119 G N 0.237 109.079 108.800 0.069 0.000 2.512 119 G HA2 -0.250 3.748 3.960 0.062 0.000 0.210 119 G HA3 -0.250 3.748 3.960 0.062 0.000 0.210 119 G C -0.404 174.358 174.900 -0.229 0.000 1.295 119 G CA -0.463 44.667 45.100 0.050 0.000 0.934 119 G HN 0.199 nan 8.290 nan 0.000 0.554 120 S N 0.347 115.792 115.700 -0.424 0.000 2.558 120 S HA 0.402 4.909 4.470 0.062 0.000 0.288 120 S C 1.135 175.458 174.600 -0.461 0.000 1.318 120 S CA 1.791 59.492 58.200 -0.833 0.000 1.056 120 S CB 0.048 62.966 63.200 -0.469 0.000 0.853 120 S HN 1.533 nan 8.310 nan 0.000 0.505 121 D N 0.612 120.725 120.400 -0.479 0.000 2.075 121 D HA -0.145 4.532 4.640 0.062 0.000 0.168 121 D C 0.194 176.352 176.300 -0.238 0.000 1.113 121 D CA 1.488 55.292 54.000 -0.326 0.000 1.082 121 D CB -1.655 38.985 40.800 -0.266 0.000 1.171 121 D HN 0.758 nan 8.370 nan 0.000 0.531 122 A N 0.685 123.380 122.820 -0.209 0.000 3.037 122 A HA 0.534 4.891 4.320 0.062 0.000 0.272 122 A C 1.397 178.916 177.584 -0.109 0.000 1.723 122 A CA -0.022 51.938 52.037 -0.128 0.000 1.413 122 A CB -0.832 18.134 19.000 -0.057 0.000 1.112 122 A HN 0.364 nan 8.150 nan 0.000 0.606 123 I N 0.073 120.590 120.570 -0.089 0.000 2.899 123 I HA 0.063 4.270 4.170 0.062 0.000 0.257 123 I C 2.474 178.552 176.117 -0.065 0.000 1.115 123 I CA 1.096 62.356 61.300 -0.067 0.000 1.451 123 I CB -0.100 37.901 38.000 0.003 0.000 1.251 123 I HN 0.538 nan 8.210 nan 0.000 0.456 124 G N 0.207 108.991 108.800 -0.026 0.000 2.494 124 G HA2 0.367 4.364 3.960 0.062 0.000 0.216 124 G HA3 0.367 4.364 3.960 0.062 0.000 0.216 124 G C 0.653 175.517 174.900 -0.059 0.000 1.140 124 G CA 0.834 45.904 45.100 -0.050 0.000 0.801 124 G HN 0.536 nan 8.290 nan 0.000 0.536 125 G N -1.995 106.789 108.800 -0.026 0.000 2.325 125 G HA2 0.435 4.433 3.960 0.062 0.000 0.295 125 G HA3 0.435 4.433 3.960 0.062 0.000 0.295 125 G C -2.172 172.722 174.900 -0.010 0.000 1.274 125 G CA -0.050 45.043 45.100 -0.011 0.000 0.857 125 G HN 0.558 nan 8.290 nan 0.000 0.499 126 V N -0.398 119.523 119.914 0.012 0.000 2.760 126 V HA 0.682 4.839 4.120 0.062 0.000 0.309 126 V C -0.592 175.517 176.094 0.025 0.000 1.077 126 V CA -0.707 61.547 62.300 -0.077 0.000 0.910 126 V CB 1.811 33.519 31.823 -0.192 0.000 1.008 126 V HN 0.751 nan 8.190 nan 0.000 0.424 127 V N 3.530 123.401 119.914 -0.073 0.000 2.407 127 V HA 0.491 4.648 4.120 0.062 0.000 0.291 127 V C -0.449 175.549 176.094 -0.160 0.000 1.018 127 V CA -0.564 61.688 62.300 -0.081 0.000 0.842 127 V CB 1.809 33.513 31.823 -0.199 0.000 0.996 127 V HN 0.878 nan 8.190 nan 0.000 0.426 128 N N 5.097 123.722 118.700 -0.126 0.000 2.511 128 N HA 0.452 5.230 4.740 0.062 0.000 0.249 128 N C -0.821 174.609 175.510 -0.133 0.000 0.971 128 N CA -0.361 52.599 53.050 -0.149 0.000 0.938 128 N CB 0.992 39.404 38.487 -0.124 0.000 1.131 128 N HN 0.615 nan 8.380 nan 0.000 0.505 129 I N 4.392 124.852 120.570 -0.183 0.000 2.322 129 I HA 0.258 4.465 4.170 0.062 0.000 0.292 129 I C 0.148 176.188 176.117 -0.127 0.000 1.060 129 I CA -0.382 60.807 61.300 -0.185 0.000 1.309 129 I CB 0.558 38.352 38.000 -0.343 0.000 1.415 129 I HN 0.373 nan 8.210 nan 0.000 0.492 130 I N 5.758 126.274 120.570 -0.090 0.000 2.336 130 I HA 0.121 4.328 4.170 0.062 0.000 0.292 130 I C 1.291 177.365 176.117 -0.071 0.000 0.991 130 I CA -0.054 61.206 61.300 -0.068 0.000 1.227 130 I CB 1.787 39.749 38.000 -0.062 0.000 1.366 130 I HN 0.607 nan 8.210 nan 0.000 0.466 131 T N -0.493 114.028 114.554 -0.056 0.000 3.069 131 T HA 0.099 4.487 4.350 0.062 0.000 0.252 131 T C 0.570 175.189 174.700 -0.135 0.000 1.053 131 T CA -0.159 61.872 62.100 -0.114 0.000 0.964 131 T CB -0.332 68.501 68.868 -0.059 0.000 1.005 131 T HN 0.625 nan 8.240 nan 0.000 0.532 132 T N 0.683 115.199 114.554 -0.063 0.000 2.855 132 T HA 0.766 5.154 4.350 0.062 0.000 0.281 132 T C -0.623 174.042 174.700 -0.058 0.000 1.007 132 T CA -1.130 60.950 62.100 -0.034 0.000 1.009 132 T CB 2.183 71.042 68.868 -0.015 0.000 0.983 132 T HN 0.705 nan 8.240 nan 0.000 0.455 133 R N 0.252 120.722 120.500 -0.050 0.000 2.643 133 R HA 0.585 4.962 4.340 0.062 0.000 0.269 133 R C -1.979 174.304 176.300 -0.029 0.000 1.037 133 R CA -0.886 55.185 56.100 -0.048 0.000 0.894 133 R CB 1.095 31.354 30.300 -0.069 0.000 1.238 133 R HN 0.486 nan 8.270 nan 0.000 0.459 134 D N 1.452 121.837 120.400 -0.024 0.000 2.393 134 D HA 0.158 4.835 4.640 0.062 0.000 0.232 134 D C -0.969 175.319 176.300 -0.020 0.000 1.192 134 D CA 0.183 54.175 54.000 -0.014 0.000 0.882 134 D CB 0.877 41.671 40.800 -0.010 0.000 1.038 134 D HN 0.628 nan 8.370 nan 0.000 0.499 135 E N 4.012 124.203 120.200 -0.015 0.000 2.850 135 E HA 0.233 4.620 4.350 0.062 0.000 0.368 135 E C -2.745 173.852 176.600 -0.004 0.000 1.116 135 E CA -1.350 55.039 56.400 -0.018 0.000 0.787 135 E CB 0.746 30.427 29.700 -0.033 0.000 1.561 135 E HN 0.190 nan 8.360 nan 0.000 0.381 136 P HA 0.593 nan 4.420 nan 0.000 0.274 136 P C 0.513 177.825 177.300 0.021 0.000 1.231 136 P CA 0.566 63.674 63.100 0.014 0.000 0.790 136 P CB 1.502 33.211 31.700 0.014 0.000 0.951 137 G N 0.629 109.445 108.800 0.026 0.000 2.352 137 G HA2 0.108 4.105 3.960 0.062 0.000 0.324 137 G HA3 0.108 4.105 3.960 0.062 0.000 0.324 137 G C -1.427 173.495 174.900 0.037 0.000 1.249 137 G CA -0.595 44.531 45.100 0.043 0.000 1.053 137 G HN 0.659 nan 8.290 nan 0.000 0.492 138 T N 0.545 115.149 114.554 0.083 0.000 2.921 138 T HA 0.635 5.023 4.350 0.062 0.000 0.297 138 T C -0.816 174.037 174.700 0.256 0.000 1.013 138 T CA -0.383 61.760 62.100 0.071 0.000 0.990 138 T CB 2.176 70.943 68.868 -0.169 0.000 1.023 138 T HN 0.735 nan 8.240 nan 0.000 0.447 139 E N 2.733 123.048 120.200 0.192 0.000 2.248 139 E HA 0.632 5.020 4.350 0.062 0.000 0.267 139 E C -1.235 175.504 176.600 0.232 0.000 0.877 139 E CA -0.767 55.764 56.400 0.219 0.000 0.759 139 E CB 1.301 31.061 29.700 0.099 0.000 1.182 139 E HN 0.535 nan 8.360 nan 0.000 0.418 140 I N 2.512 123.262 120.570 0.299 0.000 2.406 140 I HA 0.361 4.569 4.170 0.062 0.000 0.290 140 I C -0.519 175.706 176.117 0.181 0.000 0.999 140 I CA -0.541 60.905 61.300 0.243 0.000 1.124 140 I CB 2.004 40.190 38.000 0.310 0.000 1.289 140 I HN 0.350 nan 8.210 nan 0.000 0.441 141 S N 3.781 119.550 115.700 0.115 0.000 2.599 141 S HA 0.955 5.462 4.470 0.062 0.000 0.287 141 S C -0.853 173.740 174.600 -0.012 0.000 1.105 141 S CA -0.720 57.510 58.200 0.050 0.000 0.899 141 S CB 2.487 65.685 63.200 -0.002 0.000 1.100 141 S HN 0.807 nan 8.310 nan 0.000 0.482 142 A N 0.454 123.183 122.820 -0.151 0.000 2.597 142 A HA 0.901 5.258 4.320 0.062 0.000 0.292 142 A C -0.654 176.347 177.584 -0.972 0.000 1.057 142 A CA -0.357 51.340 52.037 -0.566 0.000 0.674 142 A CB 1.228 20.003 19.000 -0.375 0.000 1.278 142 A HN 1.256 nan 8.150 nan 0.000 0.416 143 G N -0.331 107.531 108.800 -1.563 0.000 2.690 143 G HA2 0.690 4.687 3.960 0.062 0.000 0.293 143 G HA3 0.690 4.687 3.960 0.062 0.000 0.293 143 G C -1.390 172.674 174.900 -1.393 0.000 1.399 143 G CA -0.446 44.018 45.100 -1.060 0.000 0.890 143 G HN 0.712 nan 8.290 nan 0.000 0.485 144 W N -0.141 121.218 121.300 0.098 0.000 3.083 144 W HA 0.735 5.432 4.660 0.063 0.000 0.333 144 W C 0.193 176.870 176.519 0.263 0.000 1.217 144 W CA -0.497 56.913 57.345 0.108 0.000 1.170 144 W CB 2.375 31.852 29.460 0.029 0.000 1.437 144 W HN 1.117 nan 8.180 nan 0.000 0.557 145 G N 0.163 109.250 108.800 0.479 0.000 2.428 145 G HA2 0.316 4.313 3.960 0.062 0.000 0.305 145 G HA3 0.316 4.313 3.960 0.062 0.000 0.305 145 G C -1.287 173.760 174.900 0.245 0.000 1.260 145 G CA -0.775 44.521 45.100 0.327 0.000 0.853 145 G HN 0.216 nan 8.290 nan 0.000 0.480 146 S N 0.583 116.394 115.700 0.185 0.000 2.558 146 S HA 0.227 4.735 4.470 0.062 0.000 0.288 146 S C 0.875 175.542 174.600 0.113 0.000 1.318 146 S CA 0.598 58.883 58.200 0.141 0.000 1.056 146 S CB 0.120 63.398 63.200 0.131 0.000 0.853 146 S HN 0.705 nan 8.310 nan 0.000 0.505 147 N N 0.919 119.660 118.700 0.068 0.000 2.758 147 N HA -0.182 4.595 4.740 0.062 0.000 0.248 147 N C -0.306 175.183 175.510 -0.036 0.000 1.076 147 N CA 0.566 53.636 53.050 0.034 0.000 0.696 147 N CB -1.180 37.351 38.487 0.074 0.000 0.979 147 N HN 0.706 nan 8.380 nan 0.000 0.550 148 S N -1.544 114.108 115.700 -0.079 0.000 3.521 148 S HA -0.281 4.226 4.470 0.062 0.000 0.328 148 S C 0.078 174.646 174.600 -0.053 0.000 1.165 148 S CA 1.052 59.140 58.200 -0.186 0.000 0.941 148 S CB -1.304 61.515 63.200 -0.635 0.000 0.951 148 S HN 0.619 nan 8.310 nan 0.000 0.539 149 Y N 2.489 122.781 120.300 -0.013 0.000 2.717 149 Y HA 0.301 4.888 4.550 0.062 0.000 0.330 149 Y C 0.473 176.380 175.900 0.012 0.000 1.217 149 Y CA 0.695 58.806 58.100 0.018 0.000 1.506 149 Y CB 0.391 38.860 38.460 0.015 0.000 1.268 149 Y HN 0.353 nan 8.280 nan 0.000 0.561 150 Q N 6.061 125.389 119.800 -0.786 0.000 2.289 150 Q HA 0.276 4.654 4.340 0.062 0.000 0.270 150 Q C -1.507 173.851 176.000 -1.070 0.000 1.038 150 Q CA -0.946 54.410 55.803 -0.745 0.000 0.812 150 Q CB 2.195 30.896 28.738 -0.061 0.000 1.300 150 Q HN 0.816 nan 8.270 nan 0.000 0.427 151 N N 2.312 120.202 118.700 -1.350 0.000 2.260 151 N HA 0.457 5.234 4.740 0.062 0.000 0.293 151 N C -1.869 172.981 175.510 -1.099 0.000 1.058 151 N CA -0.148 52.361 53.050 -0.902 0.000 0.824 151 N CB 1.585 39.740 38.487 -0.554 0.000 1.551 151 N HN 0.464 nan 8.380 nan 0.000 0.475 152 Y N 0.582 120.816 120.300 -0.110 0.000 2.457 152 Y HA 0.406 4.994 4.550 0.062 0.000 0.343 152 Y C -0.606 175.281 175.900 -0.021 0.000 0.994 152 Y CA -0.887 57.163 58.100 -0.083 0.000 1.031 152 Y CB 2.206 40.630 38.460 -0.059 0.000 1.246 152 Y HN 0.362 nan 8.280 nan 0.000 0.449 153 D N 1.936 122.406 120.400 0.117 0.000 2.977 153 D HA 0.518 5.195 4.640 0.062 0.000 0.220 153 D C -2.007 174.342 176.300 0.082 0.000 1.267 153 D CA -0.230 53.811 54.000 0.069 0.000 0.884 153 D CB 2.625 43.431 40.800 0.009 0.000 1.667 153 D HN 0.364 nan 8.370 nan 0.000 0.536 154 V N 2.538 122.494 119.914 0.071 0.000 2.531 154 V HA 0.608 4.765 4.120 0.062 0.000 0.301 154 V C -0.078 176.042 176.094 0.043 0.000 1.034 154 V CA -0.538 61.803 62.300 0.068 0.000 0.865 154 V CB 1.622 33.481 31.823 0.061 0.000 0.995 154 V HN 0.660 nan 8.190 nan 0.000 0.424 155 S N 2.273 117.996 115.700 0.038 0.000 2.595 155 S HA 0.891 5.399 4.470 0.062 0.000 0.281 155 S C -0.709 173.903 174.600 0.019 0.000 1.117 155 S CA -0.783 57.431 58.200 0.023 0.000 0.873 155 S CB 2.391 65.588 63.200 -0.006 0.000 1.108 155 S HN 0.761 nan 8.310 nan 0.000 0.477 156 T N 0.333 114.898 114.554 0.018 0.000 2.889 156 T HA 0.597 4.985 4.350 0.062 0.000 0.315 156 T C -2.207 172.508 174.700 0.026 0.000 1.291 156 T CA -0.393 61.710 62.100 0.005 0.000 1.028 156 T CB 1.948 70.800 68.868 -0.026 0.000 1.235 156 T HN 0.857 nan 8.240 nan 0.000 0.491 157 Q N 2.934 122.747 119.800 0.022 0.000 2.269 157 Q HA 0.495 4.872 4.340 0.062 0.000 0.263 157 Q C -1.701 174.314 176.000 0.026 0.000 0.983 157 Q CA -0.725 55.098 55.803 0.034 0.000 0.777 157 Q CB 1.239 29.995 28.738 0.030 0.000 1.273 157 Q HN 0.469 nan 8.270 nan 0.000 0.440 158 Q N 2.172 121.990 119.800 0.030 0.000 2.375 158 Q HA 0.355 4.733 4.340 0.062 0.000 0.271 158 Q C -1.052 174.967 176.000 0.031 0.000 1.074 158 Q CA -0.815 55.002 55.803 0.023 0.000 0.808 158 Q CB 2.315 31.062 28.738 0.016 0.000 1.327 158 Q HN 0.637 nan 8.270 nan 0.000 0.441 159 Q N 1.873 121.689 119.800 0.027 0.000 2.288 159 Q HA 0.247 4.624 4.340 0.062 0.000 0.258 159 Q C -0.405 175.614 176.000 0.032 0.000 0.957 159 Q CA -0.339 55.482 55.803 0.030 0.000 0.919 159 Q CB 0.811 29.564 28.738 0.025 0.000 1.185 159 Q HN 0.319 nan 8.270 nan 0.000 0.408 160 L N 2.466 123.713 121.223 0.040 0.000 2.701 160 L HA 0.382 4.759 4.340 0.062 0.000 0.237 160 L C 0.633 177.531 176.870 0.047 0.000 1.204 160 L CA 0.339 55.203 54.840 0.040 0.000 1.109 160 L CB 0.018 42.103 42.059 0.044 0.000 1.409 160 L HN 0.826 nan 8.230 nan 0.000 0.428 161 G N -0.188 108.635 108.800 0.038 0.000 2.663 161 G HA2 -0.189 3.809 3.960 0.062 0.000 0.686 161 G HA3 -0.189 3.809 3.960 0.062 0.000 0.686 161 G C 0.382 175.300 174.900 0.031 0.000 1.288 161 G CA -0.362 44.762 45.100 0.039 0.000 0.836 161 G HN 0.284 nan 8.290 nan 0.000 0.584 162 D N 0.141 120.555 120.400 0.022 0.000 2.182 162 D HA -0.095 4.582 4.640 0.062 0.000 0.201 162 D C 2.216 178.508 176.300 -0.013 0.000 0.986 162 D CA 1.585 55.589 54.000 0.008 0.000 0.847 162 D CB 0.125 40.929 40.800 0.007 0.000 0.942 162 D HN 0.581 nan 8.370 nan 0.000 0.467 163 K N -0.137 120.248 120.400 -0.026 0.000 2.323 163 K HA 0.061 4.419 4.320 0.062 0.000 0.197 163 K C 0.474 177.011 176.600 -0.105 0.000 1.043 163 K CA 0.490 56.694 56.287 -0.139 0.000 0.997 163 K CB 0.682 33.014 32.500 -0.280 0.000 0.807 163 K HN -0.071 nan 8.250 nan 0.000 0.497 164 T N 1.266 115.851 114.554 0.051 0.000 2.824 164 T HA 0.330 4.718 4.350 0.062 0.000 0.282 164 T C -0.947 173.801 174.700 0.080 0.000 0.993 164 T CA -0.695 61.487 62.100 0.136 0.000 0.967 164 T CB 2.203 71.192 68.868 0.203 0.000 0.960 164 T HN 0.017 nan 8.240 nan 0.000 0.441 165 R N 2.183 122.731 120.500 0.081 0.000 2.513 165 R HA 0.694 5.071 4.340 0.062 0.000 0.301 165 R C -1.502 174.847 176.300 0.082 0.000 0.968 165 R CA -0.587 55.554 56.100 0.068 0.000 0.872 165 R CB 1.715 32.049 30.300 0.057 0.000 1.177 165 R HN 0.482 nan 8.270 nan 0.000 0.444 166 V N 3.785 123.743 119.914 0.072 0.000 2.513 166 V HA 0.587 4.745 4.120 0.062 0.000 0.299 166 V C -0.911 175.235 176.094 0.087 0.000 1.035 166 V CA -0.051 62.297 62.300 0.080 0.000 0.889 166 V CB 2.192 34.054 31.823 0.065 0.000 0.988 166 V HN 0.842 nan 8.190 nan 0.000 0.440 167 T N 7.931 122.558 114.554 0.122 0.000 2.841 167 T HA 0.684 5.071 4.350 0.062 0.000 0.283 167 T C -0.834 173.983 174.700 0.195 0.000 1.000 167 T CA -0.330 61.864 62.100 0.157 0.000 0.977 167 T CB 1.263 70.268 68.868 0.227 0.000 0.979 167 T HN 0.566 nan 8.240 nan 0.000 0.446 168 L N 3.207 124.528 121.223 0.164 0.000 2.422 168 L HA 0.770 5.147 4.340 0.062 0.000 0.264 168 L C -1.193 175.769 176.870 0.153 0.000 0.984 168 L CA -0.997 53.944 54.840 0.170 0.000 0.819 168 L CB 2.386 44.501 42.059 0.093 0.000 1.330 168 L HN 0.465 nan 8.230 nan 0.000 0.410 169 L N 1.160 122.491 121.223 0.181 0.000 2.472 169 L HA 0.937 5.314 4.340 0.062 0.000 0.260 169 L C -0.982 175.944 176.870 0.094 0.000 0.963 169 L CA -0.077 54.819 54.840 0.093 0.000 0.829 169 L CB 2.350 44.409 42.059 0.001 0.000 1.348 169 L HN 0.642 nan 8.230 nan 0.000 0.408 170 G N 1.414 110.252 108.800 0.062 0.000 2.620 170 G HA2 0.557 4.555 3.960 0.062 0.000 0.301 170 G HA3 0.557 4.555 3.960 0.062 0.000 0.301 170 G C -2.302 172.633 174.900 0.058 0.000 1.347 170 G CA -0.329 44.811 45.100 0.067 0.000 0.971 170 G HN 0.687 nan 8.290 nan 0.000 0.488 171 D N -0.939 119.497 120.400 0.061 0.000 2.947 171 D HA 0.474 5.151 4.640 0.062 0.000 0.224 171 D C -1.883 174.474 176.300 0.096 0.000 1.230 171 D CA -0.535 53.500 54.000 0.058 0.000 0.871 171 D CB 2.111 42.902 40.800 -0.016 0.000 1.671 171 D HN 0.388 nan 8.370 nan 0.000 0.507 172 Y N 2.751 123.052 120.300 0.001 0.000 2.331 172 Y HA 0.703 5.291 4.550 0.063 0.000 0.334 172 Y C -1.574 174.292 175.900 -0.056 0.000 0.960 172 Y CA -0.663 57.439 58.100 0.003 0.000 1.130 172 Y CB 1.486 40.008 38.460 0.104 0.000 1.164 172 Y HN 0.514 nan 8.280 nan 0.000 0.458 173 A N 5.914 128.506 122.820 -0.380 0.000 2.374 173 A HA 0.556 4.913 4.320 0.062 0.000 0.305 173 A C -2.072 175.309 177.584 -0.339 0.000 1.053 173 A CA -0.571 51.304 52.037 -0.270 0.000 0.726 173 A CB 0.915 19.855 19.000 -0.100 0.000 1.229 173 A HN 0.951 nan 8.150 nan 0.000 0.431 174 H N 1.168 120.060 119.070 -0.298 0.000 2.934 174 H HA 0.537 5.130 4.556 0.062 0.000 0.340 174 H C -1.449 173.926 175.328 0.079 0.000 1.008 174 H CA -0.274 55.688 56.048 -0.142 0.000 1.317 174 H CB 1.574 31.308 29.762 -0.047 0.000 1.670 174 H HN 0.564 nan 8.280 nan 0.000 0.516 175 T N 4.581 119.345 114.554 0.350 0.000 2.890 175 T HA 0.200 4.587 4.350 0.062 0.000 0.295 175 T C -0.675 174.198 174.700 0.288 0.000 0.993 175 T CA -0.707 61.610 62.100 0.363 0.000 0.979 175 T CB 0.660 69.746 68.868 0.363 0.000 0.967 175 T HN 0.529 nan 8.240 nan 0.000 0.441 196 G N 2.210 110.910 108.800 -0.167 0.000 2.620 196 G HA2 -0.319 3.678 3.960 0.062 0.000 0.315 196 G HA3 -0.319 3.678 3.960 0.062 0.000 0.315 196 G C -0.253 174.648 174.900 0.001 0.000 1.179 196 G CA 0.537 45.584 45.100 -0.087 0.000 0.971 196 G HN 0.413 nan 8.290 nan 0.000 0.544 197 F N 0.801 120.687 119.950 -0.106 0.000 2.745 197 F HA 0.725 5.290 4.527 0.064 0.000 0.343 197 F C -0.369 175.370 175.800 -0.102 0.000 1.196 197 F CA -0.984 56.936 58.000 -0.133 0.000 1.021 197 F CB 1.115 40.040 39.000 -0.125 0.000 1.297 197 F HN 0.531 nan 8.300 nan 0.000 0.486 198 L N 5.324 126.136 121.223 -0.685 0.000 2.309 198 L HA 0.687 5.064 4.340 0.062 0.000 0.282 198 L C -0.884 175.395 176.870 -0.986 0.000 1.036 198 L CA -0.358 53.984 54.840 -0.830 0.000 0.806 198 L CB 1.742 43.297 42.059 -0.839 0.000 1.220 198 L HN 0.667 nan 8.230 nan 0.000 0.429 199 S N 4.604 119.812 115.700 -0.820 0.000 2.668 199 S HA 0.487 4.994 4.470 0.062 0.000 0.277 199 S C -1.331 173.015 174.600 -0.424 0.000 1.170 199 S CA -0.747 57.061 58.200 -0.653 0.000 0.994 199 S CB 1.078 63.901 63.200 -0.629 0.000 1.051 199 S HN 0.661 nan 8.310 nan 0.000 0.484 200 K N 2.970 123.211 120.400 -0.264 0.000 2.376 200 K HA 0.606 4.963 4.320 0.062 0.000 0.257 200 K C -1.059 175.538 176.600 -0.005 0.000 0.939 200 K CA -0.719 55.495 56.287 -0.123 0.000 0.809 200 K CB 2.124 34.576 32.500 -0.080 0.000 1.121 200 K HN 0.532 nan 8.250 nan 0.000 0.425 201 T N 2.556 117.121 114.554 0.019 0.000 2.893 201 T HA 0.525 4.912 4.350 0.062 0.000 0.291 201 T C -1.274 173.475 174.700 0.081 0.000 1.028 201 T CA -0.701 61.443 62.100 0.073 0.000 0.995 201 T CB 1.245 70.109 68.868 -0.006 0.000 1.051 201 T HN 0.125 nan 8.240 nan 0.000 0.470 202 L N 2.554 123.845 121.223 0.113 0.000 2.388 202 L HA 0.727 5.104 4.340 0.062 0.000 0.264 202 L C -1.476 175.507 176.870 0.189 0.000 0.998 202 L CA -1.041 53.870 54.840 0.119 0.000 0.817 202 L CB 1.809 43.917 42.059 0.082 0.000 1.338 202 L HN 0.778 nan 8.230 nan 0.000 0.414 203 Y N 1.271 121.586 120.300 0.025 0.000 2.442 203 Y HA 0.710 5.297 4.550 0.062 0.000 0.330 203 Y C -0.583 175.336 175.900 0.031 0.000 1.100 203 Y CA -0.755 57.367 58.100 0.037 0.000 1.034 203 Y CB 2.089 40.535 38.460 -0.023 0.000 1.285 203 Y HN 0.600 nan 8.280 nan 0.000 0.440 204 G N 2.933 111.490 108.800 -0.405 0.000 2.662 204 G HA2 0.792 4.790 3.960 0.062 0.000 0.302 204 G HA3 0.792 4.790 3.960 0.062 0.000 0.302 204 G C -1.966 172.677 174.900 -0.428 0.000 1.389 204 G CA -0.516 44.443 45.100 -0.236 0.000 0.998 204 G HN 1.067 nan 8.290 nan 0.000 0.502 205 A N 1.859 124.581 122.820 -0.163 0.000 2.449 205 A HA 0.783 5.140 4.320 0.062 0.000 0.302 205 A C -1.378 176.259 177.584 0.089 0.000 1.048 205 A CA -0.561 51.455 52.037 -0.035 0.000 0.708 205 A CB 1.814 20.839 19.000 0.042 0.000 1.274 205 A HN 0.638 nan 8.150 nan 0.000 0.410 206 L N 1.769 123.075 121.223 0.139 0.000 2.333 206 L HA 0.565 4.942 4.340 0.062 0.000 0.280 206 L C -0.464 176.526 176.870 0.200 0.000 1.004 206 L CA -0.050 54.877 54.840 0.145 0.000 0.820 206 L CB 1.381 43.517 42.059 0.128 0.000 1.247 206 L HN 0.914 nan 8.230 nan 0.000 0.416 207 E N 2.160 122.462 120.200 0.171 0.000 2.199 207 E HA 0.432 4.819 4.350 0.062 0.000 0.265 207 E C -1.406 175.287 176.600 0.155 0.000 0.882 207 E CA -0.566 55.949 56.400 0.191 0.000 0.759 207 E CB 2.306 32.094 29.700 0.147 0.000 1.148 207 E HN 0.416 nan 8.360 nan 0.000 0.412 208 H N 1.874 120.933 119.070 -0.019 0.000 2.667 208 H HA 0.363 4.956 4.556 0.062 0.000 0.353 208 H C -1.169 174.035 175.328 -0.207 0.000 1.072 208 H CA -0.861 55.080 56.048 -0.179 0.000 1.214 208 H CB 0.879 30.411 29.762 -0.384 0.000 1.600 208 H HN 0.329 nan 8.280 nan 0.000 0.527 209 N N 6.147 124.498 118.700 -0.582 0.000 2.500 209 N HA 0.054 4.832 4.740 0.062 0.000 0.236 209 N C 0.345 175.569 175.510 -0.477 0.000 1.022 209 N CA -0.018 52.830 53.050 -0.336 0.000 0.935 209 N CB 0.402 38.802 38.487 -0.145 0.000 1.147 209 N HN 0.554 nan 8.380 nan 0.000 0.512 210 F N 0.511 120.452 119.950 -0.015 0.000 2.134 210 F HA -0.155 4.409 4.527 0.062 0.000 0.299 210 F C 1.953 177.809 175.800 0.095 0.000 1.097 210 F CA 0.820 58.883 58.000 0.104 0.000 1.264 210 F CB -0.000 39.126 39.000 0.210 0.000 1.001 210 F HN 0.337 nan 8.300 nan 0.000 0.479 211 T N -3.872 110.897 114.554 0.359 0.000 2.626 211 T HA 0.293 4.680 4.350 0.062 0.000 0.279 211 T C 0.187 174.993 174.700 0.177 0.000 0.983 211 T CA -0.516 61.736 62.100 0.254 0.000 1.059 211 T CB 1.039 70.104 68.868 0.329 0.000 1.396 211 T HN -0.135 nan 8.240 nan 0.000 0.519 212 D N 0.194 120.673 120.400 0.132 0.000 2.224 212 D HA 0.239 4.916 4.640 0.062 0.000 0.205 212 D C 1.995 178.313 176.300 0.030 0.000 0.965 212 D CA 1.289 55.328 54.000 0.065 0.000 0.852 212 D CB -0.141 40.684 40.800 0.042 0.000 0.947 212 D HN 0.649 nan 8.370 nan 0.000 0.494 213 A N -0.473 122.379 122.820 0.053 0.000 1.973 213 A HA 0.131 4.488 4.320 0.062 0.000 0.210 213 A C 0.157 177.661 177.584 -0.134 0.000 1.200 213 A CA -0.065 51.869 52.037 -0.172 0.000 0.707 213 A CB -0.153 18.684 19.000 -0.271 0.000 0.862 213 A HN 0.143 nan 8.150 nan 0.000 0.461 214 W N 1.154 122.584 121.300 0.217 0.000 2.390 214 W HA 0.529 5.226 4.660 0.062 0.000 0.312 214 W C 0.338 177.070 176.519 0.356 0.000 1.123 214 W CA 0.223 57.765 57.345 0.329 0.000 1.202 214 W CB 1.338 31.002 29.460 0.339 0.000 1.251 214 W HN 0.290 nan 8.180 nan 0.000 0.511 215 S N 2.252 118.317 115.700 0.608 0.000 2.627 215 S HA 0.973 5.480 4.470 0.062 0.000 0.283 215 S C -0.535 174.400 174.600 0.558 0.000 1.127 215 S CA -0.923 57.554 58.200 0.463 0.000 0.863 215 S CB 2.079 65.434 63.200 0.259 0.000 1.121 215 S HN 0.694 nan 8.310 nan 0.000 0.479 216 G N 0.195 109.240 108.800 0.408 0.000 2.672 216 G HA2 0.789 4.787 3.960 0.062 0.000 0.292 216 G HA3 0.789 4.787 3.960 0.062 0.000 0.292 216 G C -1.469 173.609 174.900 0.296 0.000 1.375 216 G CA -0.916 44.406 45.100 0.370 0.000 0.890 216 G HN 1.348 nan 8.290 nan 0.000 0.476 217 F N -1.143 118.937 119.950 0.216 0.000 2.654 217 F HA 0.819 5.384 4.527 0.062 0.000 0.308 217 F C -1.528 174.372 175.800 0.167 0.000 1.108 217 F CA -1.582 56.517 58.000 0.165 0.000 0.957 217 F CB 1.698 40.789 39.000 0.152 0.000 1.309 217 F HN 0.457 nan 8.300 nan 0.000 0.446 218 V N 2.944 123.084 119.914 0.378 0.000 2.638 218 V HA 0.681 4.838 4.120 0.062 0.000 0.306 218 V C -0.711 175.603 176.094 0.367 0.000 1.052 218 V CA -0.740 61.760 62.300 0.333 0.000 0.885 218 V CB 2.199 34.149 31.823 0.211 0.000 0.999 218 V HN 0.868 nan 8.190 nan 0.000 0.424 219 R N 2.514 123.233 120.500 0.365 0.000 2.574 219 R HA 0.745 5.122 4.340 0.062 0.000 0.288 219 R C -0.407 175.908 176.300 0.025 0.000 1.004 219 R CA -0.687 55.491 56.100 0.130 0.000 0.895 219 R CB 2.548 32.935 30.300 0.146 0.000 1.191 219 R HN 0.883 nan 8.270 nan 0.000 0.444 220 G N 2.197 110.808 108.800 -0.314 0.000 2.638 220 G HA2 0.648 4.645 3.960 0.062 0.000 0.302 220 G HA3 0.648 4.645 3.960 0.062 0.000 0.302 220 G C -1.612 172.838 174.900 -0.749 0.000 1.365 220 G CA -0.503 44.003 45.100 -0.990 0.000 0.987 220 G HN 0.551 nan 8.290 nan 0.000 0.495 221 Y N -0.820 119.022 120.300 -0.763 0.000 2.670 221 Y HA 0.877 5.464 4.550 0.062 0.000 0.334 221 Y C 0.023 175.708 175.900 -0.357 0.000 1.185 221 Y CA -1.179 56.676 58.100 -0.408 0.000 1.053 221 Y CB 1.303 39.720 38.460 -0.071 0.000 1.298 221 Y HN 1.084 nan 8.280 nan 0.000 0.459 222 G N 0.091 108.888 108.800 -0.006 0.000 2.623 222 G HA2 0.595 4.593 3.960 0.062 0.000 0.290 222 G HA3 0.595 4.593 3.960 0.062 0.000 0.290 222 G C -2.447 172.454 174.900 0.002 0.000 1.437 222 G CA -0.855 44.140 45.100 -0.174 0.000 0.798 222 G HN 1.217 nan 8.290 nan 0.000 0.488 223 Y N -1.404 118.879 120.300 -0.029 0.000 2.581 223 Y HA 0.712 5.299 4.550 0.062 0.000 0.337 223 Y C -1.662 174.183 175.900 -0.092 0.000 1.108 223 Y CA -1.680 56.376 58.100 -0.074 0.000 1.033 223 Y CB 1.702 40.083 38.460 -0.131 0.000 1.318 223 Y HN 0.305 nan 8.280 nan 0.000 0.459 224 D N 2.046 122.446 120.400 0.001 0.000 2.414 224 D HA 0.292 4.969 4.640 0.062 0.000 0.232 224 D C -1.251 174.894 176.300 -0.258 0.000 1.070 224 D CA -0.434 53.448 54.000 -0.197 0.000 0.839 224 D CB 1.276 41.994 40.800 -0.135 0.000 1.079 224 D HN 0.694 nan 8.370 nan 0.000 0.521 225 N N 1.552 120.083 118.700 -0.282 0.000 2.408 225 N HA 0.365 5.142 4.740 0.062 0.000 0.280 225 N C -0.332 174.938 175.510 -0.400 0.000 1.002 225 N CA -0.715 52.097 53.050 -0.396 0.000 0.907 225 N CB 2.300 40.653 38.487 -0.223 0.000 1.161 225 N HN 0.091 nan 8.380 nan 0.000 0.488 226 R N 1.612 121.821 120.500 -0.485 0.000 2.387 226 R HA 0.384 4.761 4.340 0.062 0.000 0.314 226 R C -1.260 174.872 176.300 -0.281 0.000 0.958 226 R CA -0.247 55.654 56.100 -0.332 0.000 0.846 226 R CB 1.021 31.136 30.300 -0.309 0.000 1.147 226 R HN 0.429 nan 8.270 nan 0.000 0.447 227 T N 3.831 118.290 114.554 -0.158 0.000 2.841 227 T HA 0.347 4.734 4.350 0.062 0.000 0.285 227 T C -0.875 173.676 174.700 -0.248 0.000 0.991 227 T CA -0.914 61.084 62.100 -0.171 0.000 0.966 227 T CB 1.057 69.781 68.868 -0.241 0.000 0.962 227 T HN 0.509 nan 8.240 nan 0.000 0.438 228 N N 3.097 121.656 118.700 -0.235 0.000 2.439 228 N HA 0.279 5.057 4.740 0.062 0.000 0.249 228 N C -0.591 174.795 175.510 -0.206 0.000 1.003 228 N CA -0.290 52.658 53.050 -0.170 0.000 0.942 228 N CB 0.955 39.378 38.487 -0.107 0.000 1.115 228 N HN 0.524 nan 8.380 nan 0.000 0.505 242 T N 0.955 115.387 114.554 -0.204 0.000 2.829 242 T HA 0.554 4.942 4.350 0.062 0.000 0.282 242 T C -0.773 173.742 174.700 -0.308 0.000 0.990 242 T CA -0.606 61.292 62.100 -0.337 0.000 1.028 242 T CB 1.947 70.436 68.868 -0.632 0.000 0.951 242 T HN 0.163 nan 8.240 nan 0.000 0.460 243 R N 2.140 122.584 120.500 -0.093 0.000 2.534 243 R HA 0.471 4.848 4.340 0.062 0.000 0.301 243 R C -1.182 175.118 176.300 -0.001 0.000 0.961 243 R CA -0.756 55.364 56.100 0.034 0.000 0.871 243 R CB 0.851 31.292 30.300 0.234 0.000 1.170 243 R HN 0.536 nan 8.270 nan 0.000 0.446 244 K N 5.111 125.566 120.400 0.091 0.000 2.502 244 K HA 0.353 4.710 4.320 0.062 0.000 0.254 244 K C -1.196 175.410 176.600 0.011 0.000 0.947 244 K CA -0.708 55.560 56.287 -0.032 0.000 0.834 244 K CB 2.055 34.549 32.500 -0.010 0.000 1.112 244 K HN 0.331 nan 8.250 nan 0.000 0.427 245 L N 4.659 125.764 121.223 -0.196 0.000 2.333 245 L HA 0.483 4.861 4.340 0.062 0.000 0.280 245 L C -1.619 175.045 176.870 -0.344 0.000 1.004 245 L CA -0.729 54.057 54.840 -0.090 0.000 0.820 245 L CB 0.780 42.849 42.059 0.016 0.000 1.247 245 L HN 0.649 nan 8.230 nan 0.000 0.416 246 Y N 3.085 123.384 120.300 -0.001 0.000 2.328 246 Y HA 0.408 4.996 4.550 0.062 0.000 0.336 246 Y C 0.254 176.024 175.900 -0.217 0.000 0.960 246 Y CA -0.457 57.591 58.100 -0.087 0.000 1.134 246 Y CB 2.133 40.582 38.460 -0.018 0.000 1.166 246 Y HN 0.544 nan 8.280 nan 0.000 0.464 247 S N 3.710 119.246 115.700 -0.274 0.000 2.536 247 S HA 0.611 5.118 4.470 0.062 0.000 0.287 247 S C -1.313 173.009 174.600 -0.464 0.000 1.101 247 S CA -0.550 57.385 58.200 -0.442 0.000 0.950 247 S CB 1.173 63.925 63.200 -0.747 0.000 1.056 247 S HN 0.692 nan 8.310 nan 0.000 0.481 248 Q N 1.473 121.075 119.800 -0.330 0.000 2.389 248 Q HA 0.568 4.945 4.340 0.062 0.000 0.277 248 Q C -1.581 174.155 176.000 -0.440 0.000 1.082 248 Q CA -0.784 54.806 55.803 -0.355 0.000 0.810 248 Q CB 2.262 30.963 28.738 -0.063 0.000 1.374 248 Q HN 0.656 nan 8.270 nan 0.000 0.422 249 S N 1.315 116.548 115.700 -0.778 0.000 2.614 249 S HA 0.678 5.185 4.470 0.062 0.000 0.275 249 S C -2.156 171.939 174.600 -0.842 0.000 1.161 249 S CA -0.472 57.315 58.200 -0.688 0.000 0.969 249 S CB 0.691 63.480 63.200 -0.683 0.000 1.059 249 S HN 0.517 nan 8.310 nan 0.000 0.482 250 W N 2.276 123.491 121.300 -0.142 0.000 2.702 250 W HA 0.635 5.332 4.660 0.062 0.000 0.331 250 W C -0.750 175.831 176.519 0.104 0.000 1.049 250 W CA -0.238 57.106 57.345 -0.001 0.000 1.230 250 W CB 1.769 31.281 29.460 0.087 0.000 1.408 250 W HN 0.598 nan 8.180 nan 0.000 0.492 251 D N 1.274 121.909 120.400 0.392 0.000 2.732 251 D HA 0.755 5.433 4.640 0.062 0.000 0.229 251 D C -1.151 175.386 176.300 0.396 0.000 1.152 251 D CA -0.549 53.694 54.000 0.406 0.000 0.854 251 D CB 1.944 43.034 40.800 0.484 0.000 1.590 251 D HN 0.382 nan 8.370 nan 0.000 0.468 252 A N 0.800 123.739 122.820 0.198 0.000 2.486 252 A HA 0.922 5.279 4.320 0.062 0.000 0.300 252 A C -0.533 176.777 177.584 -0.457 0.000 1.048 252 A CA -0.474 51.482 52.037 -0.136 0.000 0.696 252 A CB 1.926 20.923 19.000 -0.006 0.000 1.278 252 A HN 0.593 nan 8.150 nan 0.000 0.405 253 G N -0.026 108.147 108.800 -1.045 0.000 2.698 253 G HA2 0.600 4.597 3.960 0.062 0.000 0.293 253 G HA3 0.600 4.597 3.960 0.062 0.000 0.293 253 G C -1.812 172.899 174.900 -0.315 0.000 1.437 253 G CA -0.507 44.147 45.100 -0.744 0.000 0.852 253 G HN 0.737 nan 8.290 nan 0.000 0.499 254 L N 0.441 121.704 121.223 0.066 0.000 2.381 254 L HA 0.719 5.097 4.340 0.062 0.000 0.268 254 L C -0.242 176.860 176.870 0.387 0.000 0.997 254 L CA -0.925 54.092 54.840 0.294 0.000 0.818 254 L CB 2.516 44.775 42.059 0.334 0.000 1.310 254 L HN 0.482 nan 8.230 nan 0.000 0.416 255 R N 2.101 122.865 120.500 0.441 0.000 2.673 255 R HA 0.408 4.785 4.340 0.062 0.000 0.281 255 R C -1.841 174.562 176.300 0.171 0.000 0.991 255 R CA -0.881 55.416 56.100 0.328 0.000 0.896 255 R CB 2.915 33.393 30.300 0.298 0.000 1.201 255 R HN 0.394 nan 8.270 nan 0.000 0.457 256 Y N 1.757 121.940 120.300 -0.195 0.000 2.328 256 Y HA 0.387 4.974 4.550 0.062 0.000 0.336 256 Y C -1.178 174.566 175.900 -0.261 0.000 0.960 256 Y CA -0.944 56.784 58.100 -0.619 0.000 1.134 256 Y CB 1.529 39.367 38.460 -1.038 0.000 1.166 256 Y HN 0.542 nan 8.280 nan 0.000 0.464 257 N N 4.105 122.327 118.700 -0.797 0.000 2.626 257 N HA 0.457 5.234 4.740 0.062 0.000 0.242 257 N C -0.158 174.856 175.510 -0.827 0.000 1.005 257 N CA -0.187 52.518 53.050 -0.575 0.000 0.905 257 N CB 1.190 39.537 38.487 -0.233 0.000 1.128 257 N HN 0.884 nan 8.380 nan 0.000 0.512 258 G N -0.092 108.182 108.800 -0.877 0.000 2.537 258 G HA2 0.067 4.064 3.960 0.062 0.000 0.297 258 G HA3 0.067 4.064 3.960 0.062 0.000 0.297 258 G C 0.643 175.415 174.900 -0.212 0.000 1.310 258 G CA -0.305 44.478 45.100 -0.528 0.000 1.027 258 G HN 0.498 nan 8.290 nan 0.000 0.505 259 E N -1.358 118.784 120.200 -0.098 0.000 2.070 259 E HA -0.160 4.228 4.350 0.062 0.000 0.197 259 E C 1.773 178.341 176.600 -0.053 0.000 1.004 259 E CA 1.203 57.570 56.400 -0.056 0.000 0.805 259 E CB -0.000 29.688 29.700 -0.020 0.000 0.744 259 E HN 0.228 nan 8.360 nan 0.000 0.451 260 L N -0.407 120.793 121.223 -0.038 0.000 2.624 260 L HA 0.314 4.691 4.340 0.062 0.000 0.222 260 L C 0.688 177.523 176.870 -0.059 0.000 1.046 260 L CA 0.350 55.164 54.840 -0.043 0.000 0.872 260 L CB 0.191 42.234 42.059 -0.025 0.000 1.190 260 L HN 0.011 nan 8.230 nan 0.000 0.487 261 I N 0.611 121.173 120.570 -0.013 0.000 2.385 261 I HA 0.221 4.428 4.170 0.062 0.000 0.294 261 I C -0.156 175.954 176.117 -0.011 0.000 0.988 261 I CA -0.188 61.114 61.300 0.002 0.000 1.265 261 I CB 0.990 39.057 38.000 0.113 0.000 1.388 261 I HN 0.005 nan 8.210 nan 0.000 0.480 262 K N 4.231 124.558 120.400 -0.122 0.000 2.426 262 K HA 0.680 5.037 4.320 0.062 0.000 0.251 262 K C -1.104 175.486 176.600 -0.016 0.000 0.941 262 K CA -0.766 55.467 56.287 -0.091 0.000 0.808 262 K CB 2.515 34.885 32.500 -0.216 0.000 1.265 262 K HN 0.475 nan 8.250 nan 0.000 0.432 263 S N 1.349 117.203 115.700 0.256 0.000 2.564 263 S HA 0.358 4.865 4.470 0.062 0.000 0.274 263 S C -2.059 172.830 174.600 0.481 0.000 1.124 263 S CA -0.716 57.704 58.200 0.367 0.000 0.869 263 S CB 1.364 64.780 63.200 0.359 0.000 1.105 263 S HN 0.611 nan 8.310 nan 0.000 0.472 264 Q N 2.706 122.814 119.800 0.514 0.000 2.345 264 Q HA 0.671 5.048 4.340 0.062 0.000 0.275 264 Q C -1.786 174.529 176.000 0.524 0.000 1.063 264 Q CA -0.942 55.123 55.803 0.437 0.000 0.819 264 Q CB 1.912 30.816 28.738 0.275 0.000 1.356 264 Q HN 0.545 nan 8.270 nan 0.000 0.418 265 L N 3.891 125.378 121.223 0.439 0.000 2.376 265 L HA 0.646 5.024 4.340 0.062 0.000 0.275 265 L C -1.566 175.460 176.870 0.261 0.000 0.987 265 L CA -0.929 54.138 54.840 0.378 0.000 0.828 265 L CB 1.485 43.688 42.059 0.240 0.000 1.249 265 L HN 0.761 nan 8.230 nan 0.000 0.409 266 I N 3.243 123.975 120.570 0.270 0.000 2.498 266 I HA 0.393 4.601 4.170 0.062 0.000 0.290 266 I C -0.190 176.068 176.117 0.234 0.000 1.032 266 I CA -0.483 60.963 61.300 0.244 0.000 1.073 266 I CB 2.491 40.687 38.000 0.327 0.000 1.251 266 I HN 0.509 nan 8.210 nan 0.000 0.426 267 T N 1.101 115.774 114.554 0.198 0.000 2.856 267 T HA 0.762 5.150 4.350 0.062 0.000 0.283 267 T C -0.422 174.437 174.700 0.265 0.000 1.008 267 T CA -0.684 61.555 62.100 0.231 0.000 0.997 267 T CB 1.820 70.798 68.868 0.184 0.000 0.992 267 T HN 0.478 nan 8.240 nan 0.000 0.454 268 S N 1.260 117.140 115.700 0.301 0.000 2.569 268 S HA 0.719 5.227 4.470 0.062 0.000 0.280 268 S C -1.924 172.886 174.600 0.351 0.000 1.111 268 S CA -0.880 57.503 58.200 0.304 0.000 0.887 268 S CB 1.592 64.938 63.200 0.244 0.000 1.095 268 S HN 0.870 nan 8.310 nan 0.000 0.476 269 Y N 1.621 122.022 120.300 0.167 0.000 2.441 269 Y HA 0.614 5.202 4.550 0.063 0.000 0.334 269 Y C -0.945 174.992 175.900 0.060 0.000 1.061 269 Y CA -0.628 57.514 58.100 0.069 0.000 1.032 269 Y CB 1.450 39.971 38.460 0.101 0.000 1.266 269 Y HN 0.788 nan 8.280 nan 0.000 0.441 270 S N 5.623 120.941 115.700 -0.637 0.000 2.548 270 S HA 0.593 5.100 4.470 0.062 0.000 0.286 270 S C -1.856 172.317 174.600 -0.712 0.000 1.098 270 S CA -0.619 57.252 58.200 -0.549 0.000 0.930 270 S CB 1.998 65.049 63.200 -0.249 0.000 1.070 270 S HN 0.981 nan 8.310 nan 0.000 0.480 271 H N 0.892 119.612 119.070 -0.582 0.000 2.856 271 H HA 0.597 5.190 4.556 0.062 0.000 0.355 271 H C -1.533 173.676 175.328 -0.199 0.000 1.079 271 H CA -0.492 55.319 56.048 -0.395 0.000 1.240 271 H CB 1.904 31.473 29.762 -0.322 0.000 1.701 271 H HN 0.973 nan 8.280 nan 0.000 0.527 272 S N 4.365 119.748 115.700 -0.529 0.000 2.541 272 S HA 0.517 5.024 4.470 0.062 0.000 0.280 272 S C -1.194 173.148 174.600 -0.430 0.000 1.112 272 S CA -1.134 56.813 58.200 -0.422 0.000 0.925 272 S CB 2.772 65.856 63.200 -0.192 0.000 1.067 272 S HN 0.609 nan 8.310 nan 0.000 0.479 273 K N 1.182 121.440 120.400 -0.237 0.000 2.323 273 K HA 0.494 4.851 4.320 0.062 0.000 0.259 273 K C -1.708 174.904 176.600 0.019 0.000 0.947 273 K CA -0.572 55.636 56.287 -0.133 0.000 0.819 273 K CB 1.426 33.907 32.500 -0.030 0.000 1.109 273 K HN 0.624 nan 8.250 nan 0.000 0.429 274 D N 2.823 123.156 120.400 -0.111 0.000 2.505 274 D HA 0.204 4.882 4.640 0.062 0.000 0.250 274 D C -1.462 174.803 176.300 -0.059 0.000 1.164 274 D CA -0.439 53.566 54.000 0.009 0.000 0.870 274 D CB 0.568 41.371 40.800 0.006 0.000 1.160 274 D HN 0.282 nan 8.370 nan 0.000 0.549 275 Y N 2.179 122.553 120.300 0.125 0.000 2.331 275 Y HA 0.442 5.030 4.550 0.062 0.000 0.338 275 Y C 0.617 176.620 175.900 0.172 0.000 0.992 275 Y CA -0.727 57.475 58.100 0.171 0.000 1.121 275 Y CB 1.344 39.955 38.460 0.251 0.000 1.184 275 Y HN 0.170 nan 8.280 nan 0.000 0.469 276 N N 3.988 122.860 118.700 0.288 0.000 2.410 276 N HA 0.356 5.134 4.740 0.062 0.000 0.287 276 N C -1.613 174.025 175.510 0.214 0.000 1.044 276 N CA -0.562 52.572 53.050 0.140 0.000 0.881 276 N CB 2.466 40.974 38.487 0.036 0.000 1.405 276 N HN 0.715 nan 8.380 nan 0.000 0.490 277 Y N -1.414 118.938 120.300 0.086 0.000 2.656 277 Y HA 0.388 4.975 4.550 0.063 0.000 0.334 277 Y C -1.246 174.717 175.900 0.105 0.000 1.179 277 Y CA -1.274 56.879 58.100 0.089 0.000 1.050 277 Y CB 0.833 39.349 38.460 0.094 0.000 1.308 277 Y HN 0.150 nan 8.280 nan 0.000 0.456 278 D N 3.289 123.883 120.400 0.323 0.000 2.325 278 D HA 0.256 4.933 4.640 0.062 0.000 0.251 278 D C -1.804 174.722 176.300 0.378 0.000 1.196 278 D CA -2.455 51.717 54.000 0.288 0.000 0.866 278 D CB 1.697 42.743 40.800 0.410 0.000 1.101 278 D HN 0.424 nan 8.370 nan 0.000 0.476 279 P HA -0.090 nan 4.420 nan 0.000 0.230 279 P C 0.564 177.846 177.300 -0.030 0.000 1.158 279 P CA 0.817 64.026 63.100 0.182 0.000 0.769 279 P CB 0.104 31.799 31.700 -0.010 0.000 0.807 280 H N -2.305 116.700 119.070 -0.108 0.000 2.521 280 H HA -0.030 4.563 4.556 0.062 0.000 0.286 280 H C 0.948 175.934 175.328 -0.570 0.000 1.034 280 H CA 1.428 57.226 56.048 -0.416 0.000 1.278 280 H CB -0.343 28.983 29.762 -0.727 0.000 1.386 280 H HN 0.304 nan 8.280 nan 0.000 0.567 281 Y N -1.874 118.558 120.300 0.220 0.000 2.494 281 Y HA 0.339 4.926 4.550 0.062 0.000 0.271 281 Y C 1.425 177.388 175.900 0.106 0.000 1.113 281 Y CA 0.068 58.260 58.100 0.154 0.000 1.240 281 Y CB 1.156 39.704 38.460 0.147 0.000 1.268 281 Y HN 0.257 nan 8.280 nan 0.000 0.510 282 G N 1.519 110.452 108.800 0.222 0.000 2.655 282 G HA2 -0.226 3.771 3.960 0.062 0.000 0.680 282 G HA3 -0.226 3.771 3.960 0.062 0.000 0.680 282 G C 0.408 175.089 174.900 -0.366 0.000 1.302 282 G CA -0.302 44.724 45.100 -0.124 0.000 0.872 282 G HN 0.350 nan 8.290 nan 0.000 0.540 283 R N -1.052 118.962 120.500 -0.810 0.000 2.235 283 R HA 0.109 4.487 4.340 0.062 0.000 0.213 283 R C 1.536 177.597 176.300 -0.397 0.000 1.059 283 R CA 1.837 57.467 56.100 -0.784 0.000 0.997 283 R CB -0.103 29.686 30.300 -0.852 0.000 0.884 283 R HN 0.575 nan 8.270 nan 0.000 0.462 284 Y N 1.090 121.354 120.300 -0.059 0.000 2.457 284 Y HA 0.144 4.731 4.550 0.063 0.000 0.263 284 Y C 0.298 176.220 175.900 0.037 0.000 1.164 284 Y CA -0.843 57.266 58.100 0.014 0.000 1.274 284 Y CB 0.180 38.644 38.460 0.006 0.000 1.097 284 Y HN 0.123 nan 8.280 nan 0.000 0.523 285 D N 0.016 120.520 120.400 0.173 0.000 2.419 285 D HA -0.088 4.589 4.640 0.062 0.000 0.236 285 D C 1.505 177.863 176.300 0.096 0.000 1.165 285 D CA 0.816 54.901 54.000 0.143 0.000 0.882 285 D CB 1.127 42.034 40.800 0.178 0.000 1.201 285 D HN 0.161 nan 8.370 nan 0.000 0.443 286 S N 1.015 116.743 115.700 0.047 0.000 2.440 286 S HA -0.213 4.294 4.470 0.062 0.000 0.238 286 S C 1.630 176.247 174.600 0.028 0.000 1.010 286 S CA 1.262 59.483 58.200 0.035 0.000 0.972 286 S CB -0.495 62.710 63.200 0.009 0.000 0.774 286 S HN 0.467 nan 8.310 nan 0.000 0.501 287 S N 0.672 116.383 115.700 0.018 0.000 2.540 287 S HA 0.643 5.150 4.470 0.062 0.000 0.218 287 S C 0.699 175.329 174.600 0.049 0.000 0.977 287 S CA -0.109 58.101 58.200 0.017 0.000 0.918 287 S CB -0.267 62.928 63.200 -0.010 0.000 0.806 287 S HN 0.766 nan 8.310 nan 0.000 0.496 288 A N 2.217 125.096 122.820 0.097 0.000 2.406 288 A HA 0.550 4.908 4.320 0.062 0.000 0.243 288 A C 0.662 178.296 177.584 0.085 0.000 1.082 288 A CA 0.221 52.340 52.037 0.137 0.000 0.786 288 A CB -0.034 19.076 19.000 0.182 0.000 1.029 288 A HN 0.709 nan 8.150 nan 0.000 0.495 289 T N -1.177 113.428 114.554 0.085 0.000 2.907 289 T HA 0.606 4.994 4.350 0.062 0.000 0.292 289 T C -0.901 173.805 174.700 0.009 0.000 1.043 289 T CA -0.643 61.477 62.100 0.034 0.000 1.003 289 T CB 1.315 70.183 68.868 -0.001 0.000 1.084 289 T HN 1.345 nan 8.240 nan 0.000 0.483 290 L N 1.213 122.397 121.223 -0.064 0.000 2.409 290 L HA 0.657 5.035 4.340 0.062 0.000 0.272 290 L C -1.790 174.992 176.870 -0.147 0.000 0.980 290 L CA -0.368 54.334 54.840 -0.230 0.000 0.826 290 L CB 1.960 43.809 42.059 -0.350 0.000 1.268 290 L HN 0.751 nan 8.230 nan 0.000 0.407 291 D N 4.093 124.407 120.400 -0.144 0.000 2.408 291 D HA 0.264 4.941 4.640 0.062 0.000 0.243 291 D C -1.047 175.195 176.300 -0.097 0.000 1.075 291 D CA -0.088 53.874 54.000 -0.064 0.000 0.832 291 D CB 2.282 43.080 40.800 -0.003 0.000 1.162 291 D HN 0.636 nan 8.370 nan 0.000 0.515 292 E N 2.850 123.015 120.200 -0.059 0.000 2.156 292 E HA 0.377 4.764 4.350 0.062 0.000 0.279 292 E C -0.787 175.823 176.600 0.017 0.000 0.965 292 E CA -0.494 55.877 56.400 -0.049 0.000 0.789 292 E CB 1.035 30.750 29.700 0.026 0.000 1.098 292 E HN 0.317 nan 8.360 nan 0.000 0.397 293 M N 3.503 123.096 119.600 -0.013 0.000 2.535 293 M HA 0.467 4.985 4.480 0.062 0.000 0.314 293 M C -0.787 175.536 176.300 0.039 0.000 1.153 293 M CA -0.807 54.511 55.300 0.030 0.000 0.924 293 M CB 2.269 34.871 32.600 0.003 0.000 1.710 293 M HN 0.337 nan 8.290 nan 0.000 0.451 294 K N 1.512 121.946 120.400 0.056 0.000 2.435 294 K HA 0.586 4.943 4.320 0.062 0.000 0.251 294 K C -1.302 175.225 176.600 -0.121 0.000 0.954 294 K CA -0.904 55.343 56.287 -0.067 0.000 0.820 294 K CB 3.097 35.608 32.500 0.018 0.000 1.292 294 K HN 0.592 nan 8.250 nan 0.000 0.436 295 Q N 2.081 121.704 119.800 -0.296 0.000 2.271 295 Q HA 0.330 4.707 4.340 0.062 0.000 0.268 295 Q C -1.865 174.019 176.000 -0.193 0.000 1.021 295 Q CA -0.650 55.060 55.803 -0.155 0.000 0.802 295 Q CB 1.292 29.978 28.738 -0.088 0.000 1.282 295 Q HN 0.577 nan 8.270 nan 0.000 0.431 296 Y N 0.956 121.331 120.300 0.126 0.000 2.429 296 Y HA 0.586 5.173 4.550 0.062 0.000 0.342 296 Y C -0.126 175.831 175.900 0.095 0.000 1.004 296 Y CA -0.573 57.669 58.100 0.237 0.000 1.075 296 Y CB 2.654 41.333 38.460 0.366 0.000 1.214 296 Y HN 0.422 nan 8.280 nan 0.000 0.455 297 T N 2.606 117.375 114.554 0.359 0.000 2.886 297 T HA 0.628 5.016 4.350 0.062 0.000 0.292 297 T C -1.254 173.695 174.700 0.415 0.000 1.012 297 T CA -0.723 61.554 62.100 0.295 0.000 0.982 297 T CB 1.591 70.586 68.868 0.211 0.000 1.018 297 T HN 0.312 nan 8.240 nan 0.000 0.451 298 V N 4.196 124.399 119.914 0.481 0.000 2.483 298 V HA 0.547 4.705 4.120 0.062 0.000 0.297 298 V C -0.679 175.638 176.094 0.373 0.000 1.027 298 V CA -0.862 61.679 62.300 0.402 0.000 0.855 298 V CB 1.627 33.676 31.823 0.376 0.000 0.995 298 V HN 0.938 nan 8.190 nan 0.000 0.424 299 Q N 3.662 123.665 119.800 0.339 0.000 2.323 299 Q HA 0.586 4.964 4.340 0.062 0.000 0.271 299 Q C -1.821 174.444 176.000 0.443 0.000 1.048 299 Q CA -0.811 55.211 55.803 0.365 0.000 0.792 299 Q CB 2.892 31.818 28.738 0.314 0.000 1.280 299 Q HN 0.626 nan 8.270 nan 0.000 0.441 300 W N 2.414 123.844 121.300 0.216 0.000 2.683 300 W HA 0.740 5.437 4.660 0.062 0.000 0.329 300 W C -1.842 174.809 176.519 0.221 0.000 1.037 300 W CA -0.709 56.755 57.345 0.198 0.000 1.232 300 W CB 1.854 31.407 29.460 0.155 0.000 1.390 300 W HN 0.858 nan 8.180 nan 0.000 0.465 301 A N 5.935 128.810 122.820 0.093 0.000 2.414 301 A HA 0.773 5.130 4.320 0.062 0.000 0.306 301 A C -1.218 176.432 177.584 0.109 0.000 1.054 301 A CA -0.748 51.358 52.037 0.114 0.000 0.724 301 A CB 1.413 20.592 19.000 0.299 0.000 1.267 301 A HN 0.618 nan 8.150 nan 0.000 0.418 302 N N 0.914 119.588 118.700 -0.042 0.000 2.262 302 N HA 0.522 5.299 4.740 0.062 0.000 0.295 302 N C -1.527 173.763 175.510 -0.367 0.000 1.161 302 N CA -0.534 52.387 53.050 -0.214 0.000 0.767 302 N CB 2.353 40.595 38.487 -0.408 0.000 1.499 302 N HN 0.782 nan 8.380 nan 0.000 0.476 303 N N -0.224 118.091 118.700 -0.643 0.000 2.367 303 N HA 0.513 5.290 4.740 0.062 0.000 0.278 303 N C -2.176 173.089 175.510 -0.409 0.000 1.117 303 N CA -0.564 52.098 53.050 -0.645 0.000 0.867 303 N CB 2.141 39.868 38.487 -1.267 0.000 1.649 303 N HN 0.225 nan 8.380 nan 0.000 0.479 304 V N 3.764 123.530 119.914 -0.247 0.000 2.841 304 V HA 0.571 4.728 4.120 0.062 0.000 0.310 304 V C -0.897 175.129 176.094 -0.113 0.000 1.090 304 V CA -0.715 61.488 62.300 -0.160 0.000 0.930 304 V CB 1.645 33.403 31.823 -0.108 0.000 1.014 304 V HN 0.677 nan 8.190 nan 0.000 0.425 305 I N 6.196 126.713 120.570 -0.089 0.000 2.396 305 I HA 0.468 4.676 4.170 0.062 0.000 0.289 305 I C -0.310 175.776 176.117 -0.052 0.000 1.056 305 I CA 0.136 61.400 61.300 -0.060 0.000 1.365 305 I CB 1.354 39.322 38.000 -0.052 0.000 1.407 305 I HN 0.420 nan 8.210 nan 0.000 0.509 306 V N 6.403 126.292 119.914 -0.042 0.000 2.932 306 V HA 0.758 4.916 4.120 0.062 0.000 0.307 306 V C 0.583 176.652 176.094 -0.042 0.000 1.147 306 V CA 0.418 62.692 62.300 -0.043 0.000 0.951 306 V CB 1.468 33.271 31.823 -0.033 0.000 1.031 306 V HN 0.986 nan 8.190 nan 0.000 0.426 307 G N 5.214 113.967 108.800 -0.078 0.000 2.684 307 G HA2 -0.282 3.716 3.960 0.062 0.000 0.332 307 G HA3 -0.282 3.716 3.960 0.062 0.000 0.332 307 G C 0.226 174.976 174.900 -0.250 0.000 1.306 307 G CA 0.863 45.876 45.100 -0.146 0.000 1.002 307 G HN 1.312 nan 8.290 nan 0.000 0.545 308 H N 2.082 121.180 119.070 0.048 0.000 2.369 308 H HA 0.522 5.115 4.556 0.062 0.000 0.228 308 H C 0.892 176.255 175.328 0.057 0.000 1.548 308 H CA 0.531 56.609 56.048 0.051 0.000 1.275 308 H CB -0.113 29.688 29.762 0.065 0.000 1.549 308 H HN 1.221 nan 8.280 nan 0.000 0.542 309 G N 0.717 109.578 108.800 0.102 0.000 2.491 309 G HA2 0.158 4.156 3.960 0.062 0.000 0.183 309 G HA3 0.158 4.156 3.960 0.062 0.000 0.183 309 G C -1.240 173.682 174.900 0.038 0.000 1.221 309 G CA -0.073 45.077 45.100 0.084 0.000 0.996 309 G HN 0.472 nan 8.290 nan 0.000 0.474 310 S N -1.073 114.649 115.700 0.036 0.000 2.625 310 S HA 0.803 5.311 4.470 0.062 0.000 0.271 310 S C -0.738 173.866 174.600 0.007 0.000 1.161 310 S CA -0.195 58.004 58.200 -0.001 0.000 0.820 310 S CB 1.704 64.892 63.200 -0.019 0.000 1.137 310 S HN 1.960 nan 8.310 nan 0.000 0.470 311 I N -1.932 118.623 120.570 -0.026 0.000 2.892 311 I HA 1.004 5.211 4.170 0.062 0.000 0.306 311 I C -0.154 175.924 176.117 -0.064 0.000 1.078 311 I CA -1.090 60.197 61.300 -0.022 0.000 1.032 311 I CB 1.834 39.820 38.000 -0.023 0.000 1.229 311 I HN 1.013 nan 8.210 nan 0.000 0.435 312 G N 1.890 110.663 108.800 -0.045 0.000 2.704 312 G HA2 0.833 4.830 3.960 0.062 0.000 0.293 312 G HA3 0.833 4.830 3.960 0.062 0.000 0.293 312 G C -1.910 172.921 174.900 -0.114 0.000 1.421 312 G CA -0.427 44.627 45.100 -0.075 0.000 0.870 312 G HN 1.153 nan 8.290 nan 0.000 0.492 313 A N -0.997 121.678 122.820 -0.241 0.000 2.609 313 A HA 1.041 5.398 4.320 0.062 0.000 0.291 313 A C -0.229 176.942 177.584 -0.687 0.000 1.096 313 A CA -0.072 51.669 52.037 -0.494 0.000 0.684 313 A CB 1.794 20.578 19.000 -0.360 0.000 1.282 313 A HN 2.320 nan 8.150 nan 0.000 0.412 314 G N -1.333 106.819 108.800 -1.080 0.000 2.673 314 G HA2 0.693 4.691 3.960 0.062 0.000 0.292 314 G HA3 0.693 4.691 3.960 0.062 0.000 0.292 314 G C -1.893 172.820 174.900 -0.312 0.000 1.450 314 G CA 0.126 44.849 45.100 -0.628 0.000 0.837 314 G HN 1.925 nan 8.290 nan 0.000 0.505 315 V N 0.383 120.347 119.914 0.083 0.000 2.925 315 V HA 0.875 5.032 4.120 0.062 0.000 0.311 315 V C -1.735 174.560 176.094 0.336 0.000 1.104 315 V CA -0.536 61.896 62.300 0.219 0.000 0.954 315 V CB 2.334 34.292 31.823 0.226 0.000 1.022 315 V HN 1.210 nan 8.190 nan 0.000 0.427 316 D N 3.504 124.107 120.400 0.337 0.000 2.583 316 D HA 0.575 5.252 4.640 0.062 0.000 0.248 316 D C -1.464 175.065 176.300 0.381 0.000 1.209 316 D CA -0.432 53.782 54.000 0.356 0.000 0.848 316 D CB 1.487 42.476 40.800 0.314 0.000 1.431 316 D HN 0.727 nan 8.370 nan 0.000 0.436 317 W N 0.731 122.145 121.300 0.189 0.000 3.022 317 W HA 0.599 5.298 4.660 0.064 0.000 0.335 317 W C -1.772 174.854 176.519 0.179 0.000 1.133 317 W CA -0.545 56.900 57.345 0.167 0.000 1.219 317 W CB 1.889 31.432 29.460 0.139 0.000 1.409 317 W HN 0.625 nan 8.180 nan 0.000 0.507 318 Q N 4.499 123.832 119.800 -0.778 0.000 2.340 318 Q HA 0.414 4.791 4.340 0.062 0.000 0.276 318 Q C -1.768 173.646 176.000 -0.977 0.000 1.048 318 Q CA -0.927 54.469 55.803 -0.678 0.000 0.832 318 Q CB 2.367 30.974 28.738 -0.217 0.000 1.373 318 Q HN 0.531 nan 8.270 nan 0.000 0.409 319 K N 2.561 122.533 120.400 -0.714 0.000 2.501 319 K HA 0.430 4.787 4.320 0.062 0.000 0.252 319 K C -1.562 175.038 176.600 -0.001 0.000 0.934 319 K CA -0.421 55.665 56.287 -0.336 0.000 0.797 319 K CB 2.108 34.425 32.500 -0.306 0.000 1.270 319 K HN 0.612 nan 8.250 nan 0.000 0.431 320 Q N 1.683 121.514 119.800 0.052 0.000 2.365 320 Q HA 0.382 4.760 4.340 0.062 0.000 0.269 320 Q C -1.113 174.981 176.000 0.157 0.000 1.061 320 Q CA -0.946 54.915 55.803 0.097 0.000 0.816 320 Q CB 2.532 31.306 28.738 0.060 0.000 1.325 320 Q HN 0.829 nan 8.270 nan 0.000 0.446 321 T N -1.654 113.006 114.554 0.176 0.000 2.906 321 T HA 0.680 5.067 4.350 0.062 0.000 0.295 321 T C -0.585 174.215 174.700 0.166 0.000 1.061 321 T CA -0.729 61.488 62.100 0.194 0.000 1.000 321 T CB 2.148 71.157 68.868 0.236 0.000 1.103 321 T HN 0.430 nan 8.240 nan 0.000 0.486 322 T N 0.859 115.521 114.554 0.179 0.000 2.912 322 T HA 0.674 5.061 4.350 0.062 0.000 0.299 322 T C -1.370 173.417 174.700 0.145 0.000 1.052 322 T CA -0.365 61.831 62.100 0.161 0.000 0.996 322 T CB 1.645 70.626 68.868 0.189 0.000 1.070 322 T HN 0.892 nan 8.240 nan 0.000 0.465 323 T N 6.914 121.530 114.554 0.102 0.000 2.879 323 T HA 0.565 4.952 4.350 0.062 0.000 0.290 323 T C -2.361 172.371 174.700 0.054 0.000 0.993 323 T CA -0.985 61.155 62.100 0.068 0.000 0.975 323 T CB 1.984 70.887 68.868 0.058 0.000 0.981 323 T HN 0.449 nan 8.240 nan 0.000 0.439 324 P HA 0.188 nan 4.420 nan 0.000 0.342 324 P C 1.556 178.871 177.300 0.024 0.000 1.397 324 P CA 0.013 63.142 63.100 0.048 0.000 0.838 324 P CB -0.016 31.730 31.700 0.076 0.000 2.030 325 G N -0.907 107.914 108.800 0.035 0.000 2.545 325 G HA2 -0.318 3.679 3.960 0.062 0.000 0.222 325 G HA3 -0.318 3.679 3.960 0.062 0.000 0.222 325 G C 1.500 176.427 174.900 0.045 0.000 1.126 325 G CA 2.358 47.478 45.100 0.033 0.000 0.754 325 G HN 0.651 nan 8.290 nan 0.000 0.583 326 T N -3.133 111.470 114.554 0.082 0.000 2.939 326 T HA 0.367 4.754 4.350 0.062 0.000 0.254 326 T C 2.130 176.790 174.700 -0.066 0.000 1.041 326 T CA 1.224 63.406 62.100 0.137 0.000 1.142 326 T CB -0.071 69.028 68.868 0.385 0.000 0.874 326 T HN 1.482 nan 8.240 nan 0.000 0.452 327 G N 0.414 109.170 108.800 -0.074 0.000 2.213 327 G HA2 -0.197 3.801 3.960 0.062 0.000 0.226 327 G HA3 -0.197 3.801 3.960 0.062 0.000 0.226 327 G C -0.127 174.650 174.900 -0.205 0.000 0.992 327 G CA -0.126 44.869 45.100 -0.175 0.000 0.632 327 G HN 0.638 nan 8.290 nan 0.000 0.511 328 Y N 1.131 121.441 120.300 0.016 0.000 2.404 328 Y HA 0.408 4.995 4.550 0.062 0.000 0.344 328 Y C 1.828 177.724 175.900 -0.006 0.000 0.995 328 Y CA -0.168 57.935 58.100 0.005 0.000 1.201 328 Y CB 1.435 39.893 38.460 -0.004 0.000 1.151 328 Y HN -0.008 nan 8.280 nan 0.000 0.517 329 V N 1.728 121.713 119.914 0.118 0.000 2.867 329 V HA -0.223 3.935 4.120 0.062 0.000 0.260 329 V C 1.216 177.322 176.094 0.020 0.000 1.099 329 V CA 1.537 63.877 62.300 0.066 0.000 1.122 329 V CB -0.686 31.179 31.823 0.071 0.000 0.708 329 V HN 0.754 nan 8.190 nan 0.000 0.490 330 E N 0.618 120.839 120.200 0.035 0.000 2.268 330 E HA -0.159 4.228 4.350 0.062 0.000 0.195 330 E C 1.489 178.036 176.600 -0.088 0.000 0.995 330 E CA 1.173 57.558 56.400 -0.026 0.000 0.836 330 E CB -0.250 29.441 29.700 -0.015 0.000 0.763 330 E HN 0.569 nan 8.360 nan 0.000 0.491 331 D N 0.070 120.440 120.400 -0.051 0.000 2.355 331 D HA 0.070 4.747 4.640 0.062 0.000 0.218 331 D C 0.885 177.049 176.300 -0.227 0.000 1.004 331 D CA 0.630 54.572 54.000 -0.095 0.000 0.880 331 D CB 0.141 40.952 40.800 0.017 0.000 0.911 331 D HN 0.203 nan 8.370 nan 0.000 0.528 332 G N -1.258 107.395 108.800 -0.245 0.000 2.990 332 G HA2 0.563 4.560 3.960 0.062 0.000 0.208 332 G HA3 0.563 4.560 3.960 0.062 0.000 0.208 332 G C -1.200 173.356 174.900 -0.574 0.000 1.334 332 G CA -0.479 44.430 45.100 -0.318 0.000 1.024 332 G HN 0.016 nan 8.290 nan 0.000 0.574 333 Y N -0.841 119.448 120.300 -0.019 0.000 2.615 333 Y HA 0.535 5.124 4.550 0.065 0.000 0.341 333 Y C -0.820 175.111 175.900 0.052 0.000 1.089 333 Y CA -0.716 57.355 58.100 -0.049 0.000 1.049 333 Y CB 2.890 41.268 38.460 -0.137 0.000 1.296 333 Y HN 0.779 nan 8.280 nan 0.000 0.470 334 D N -0.706 119.840 120.400 0.243 0.000 2.609 334 D HA 0.425 5.102 4.640 0.062 0.000 0.239 334 D C -1.638 174.776 176.300 0.190 0.000 1.229 334 D CA -0.807 53.314 54.000 0.202 0.000 0.808 334 D CB 1.754 42.655 40.800 0.168 0.000 1.448 334 D HN 0.507 nan 8.370 nan 0.000 0.433 335 Q N 0.255 120.149 119.800 0.158 0.000 2.359 335 Q HA 0.649 5.026 4.340 0.062 0.000 0.274 335 Q C -1.008 175.043 176.000 0.085 0.000 1.074 335 Q CA -0.926 54.959 55.803 0.137 0.000 0.810 335 Q CB 2.731 31.559 28.738 0.150 0.000 1.342 335 Q HN 0.382 nan 8.270 nan 0.000 0.427 336 R N 0.918 121.468 120.500 0.083 0.000 2.854 336 R HA 0.592 4.970 4.340 0.062 0.000 0.271 336 R C -1.181 175.142 176.300 0.038 0.000 0.994 336 R CA -0.713 55.394 56.100 0.011 0.000 0.945 336 R CB 1.678 32.053 30.300 0.126 0.000 1.194 336 R HN 0.571 nan 8.270 nan 0.000 0.476 337 N N -0.834 117.831 118.700 -0.057 0.000 2.371 337 N HA 0.397 5.174 4.740 0.062 0.000 0.280 337 N C -1.922 173.645 175.510 0.095 0.000 1.084 337 N CA -0.413 52.676 53.050 0.065 0.000 0.892 337 N CB 2.036 40.576 38.487 0.089 0.000 1.653 337 N HN 0.473 nan 8.380 nan 0.000 0.480 338 T N 1.224 115.904 114.554 0.210 0.000 2.792 338 T HA 0.759 5.146 4.350 0.062 0.000 0.280 338 T C -0.173 174.664 174.700 0.227 0.000 0.990 338 T CA -0.684 61.580 62.100 0.273 0.000 0.960 338 T CB 1.392 70.454 68.868 0.323 0.000 0.939 338 T HN 0.566 nan 8.240 nan 0.000 0.439 339 G N 1.429 110.373 108.800 0.240 0.000 2.605 339 G HA2 0.814 4.811 3.960 0.062 0.000 0.296 339 G HA3 0.814 4.811 3.960 0.062 0.000 0.296 339 G C -1.728 173.316 174.900 0.240 0.000 1.304 339 G CA -0.674 44.565 45.100 0.232 0.000 0.941 339 G HN 0.815 nan 8.290 nan 0.000 0.475 340 I N 0.267 120.966 120.570 0.216 0.000 2.722 340 I HA 0.746 4.953 4.170 0.062 0.000 0.295 340 I C -1.601 174.619 176.117 0.172 0.000 1.161 340 I CA -1.286 60.101 61.300 0.146 0.000 1.032 340 I CB 2.157 40.202 38.000 0.075 0.000 1.244 340 I HN 0.726 nan 8.210 nan 0.000 0.421 341 Y N 5.685 126.014 120.300 0.047 0.000 2.597 341 Y HA 0.800 5.388 4.550 0.063 0.000 0.340 341 Y C -2.261 173.647 175.900 0.014 0.000 1.097 341 Y CA -1.356 56.764 58.100 0.034 0.000 1.037 341 Y CB 1.231 39.700 38.460 0.016 0.000 1.305 341 Y HN 0.512 nan 8.280 nan 0.000 0.463 342 L N 2.730 124.009 121.223 0.094 0.000 2.381 342 L HA 0.882 5.260 4.340 0.062 0.000 0.268 342 L C -0.681 176.292 176.870 0.171 0.000 0.997 342 L CA -0.148 54.712 54.840 0.033 0.000 0.818 342 L CB 2.363 44.438 42.059 0.027 0.000 1.310 342 L HN 1.058 nan 8.230 nan 0.000 0.416 343 T N 0.730 115.364 114.554 0.134 0.000 2.900 343 T HA 0.948 5.335 4.350 0.062 0.000 0.295 343 T C -0.420 174.336 174.700 0.094 0.000 1.044 343 T CA -0.341 61.846 62.100 0.146 0.000 0.995 343 T CB 1.770 70.744 68.868 0.177 0.000 1.072 343 T HN 0.979 nan 8.240 nan 0.000 0.473 344 G N 1.116 109.977 108.800 0.102 0.000 2.706 344 G HA2 0.657 4.655 3.960 0.062 0.000 0.297 344 G HA3 0.657 4.655 3.960 0.062 0.000 0.297 344 G C -2.020 172.948 174.900 0.114 0.000 1.403 344 G CA -0.854 44.300 45.100 0.090 0.000 0.954 344 G HN 0.940 nan 8.290 nan 0.000 0.500 345 L N 1.073 122.361 121.223 0.109 0.000 2.438 345 L HA 0.624 5.002 4.340 0.062 0.000 0.270 345 L C -1.287 175.671 176.870 0.146 0.000 0.972 345 L CA -0.758 54.159 54.840 0.129 0.000 0.831 345 L CB 2.173 44.292 42.059 0.101 0.000 1.273 345 L HN 0.395 nan 8.230 nan 0.000 0.405 346 Q N 3.375 123.297 119.800 0.202 0.000 2.315 346 Q HA 0.384 4.761 4.340 0.062 0.000 0.273 346 Q C -1.572 174.579 176.000 0.253 0.000 1.053 346 Q CA -0.591 55.350 55.803 0.230 0.000 0.817 346 Q CB 2.993 31.882 28.738 0.253 0.000 1.326 346 Q HN 0.578 nan 8.270 nan 0.000 0.423 347 Q N 0.876 120.804 119.800 0.213 0.000 2.325 347 Q HA 0.499 4.876 4.340 0.062 0.000 0.262 347 Q C -0.708 175.381 176.000 0.148 0.000 0.968 347 Q CA -0.446 55.445 55.803 0.148 0.000 0.877 347 Q CB 1.750 30.540 28.738 0.086 0.000 1.253 347 Q HN 0.424 nan 8.270 nan 0.000 0.448 348 V N 2.187 122.232 119.914 0.218 0.000 2.304 348 V HA 0.853 5.010 4.120 0.062 0.000 0.278 348 V C 0.528 176.758 176.094 0.226 0.000 1.018 348 V CA 0.486 62.915 62.300 0.215 0.000 0.814 348 V CB 0.225 32.242 31.823 0.323 0.000 1.021 348 V HN 0.930 nan 8.190 nan 0.000 0.440 349 G N 5.529 114.381 108.800 0.088 0.000 2.629 349 G HA2 -0.333 3.664 3.960 0.062 0.000 0.313 349 G HA3 -0.333 3.664 3.960 0.062 0.000 0.313 349 G C 0.392 175.359 174.900 0.112 0.000 1.217 349 G CA 0.817 45.984 45.100 0.112 0.000 0.994 349 G HN 0.788 nan 8.290 nan 0.000 0.549 350 D N 0.929 121.423 120.400 0.155 0.000 2.340 350 D HA 0.295 4.972 4.640 0.062 0.000 0.220 350 D C 0.446 176.673 176.300 -0.122 0.000 1.039 350 D CA 0.419 54.416 54.000 -0.005 0.000 0.866 350 D CB -0.003 40.791 40.800 -0.010 0.000 0.913 350 D HN 0.165 nan 8.370 nan 0.000 0.523 351 F N 0.300 120.284 119.950 0.056 0.000 2.450 351 F HA 0.350 4.914 4.527 0.062 0.000 0.332 351 F C 0.827 176.446 175.800 -0.302 0.000 1.093 351 F CA -0.506 57.401 58.000 -0.155 0.000 1.003 351 F CB 1.757 40.573 39.000 -0.306 0.000 1.151 351 F HN -0.456 nan 8.300 nan 0.000 0.474 352 T N 3.480 117.873 114.554 -0.268 0.000 2.812 352 T HA 0.573 4.960 4.350 0.062 0.000 0.282 352 T C -1.051 173.402 174.700 -0.412 0.000 0.990 352 T CA -0.508 61.468 62.100 -0.206 0.000 0.960 352 T CB 0.490 69.321 68.868 -0.063 0.000 0.948 352 T HN 0.186 nan 8.240 nan 0.000 0.438 353 F N 1.613 121.662 119.950 0.165 0.000 2.508 353 F HA 0.644 5.208 4.527 0.062 0.000 0.325 353 F C 0.593 176.466 175.800 0.121 0.000 1.090 353 F CA -0.904 57.183 58.000 0.145 0.000 0.945 353 F CB 1.769 40.843 39.000 0.124 0.000 1.156 353 F HN 0.433 nan 8.300 nan 0.000 0.463 354 E N 1.018 121.389 120.200 0.285 0.000 2.308 354 E HA 0.706 5.093 4.350 0.062 0.000 0.275 354 E C -1.172 175.547 176.600 0.198 0.000 0.890 354 E CA -0.742 55.775 56.400 0.195 0.000 0.754 354 E CB 2.423 32.205 29.700 0.137 0.000 1.207 354 E HN 0.864 nan 8.360 nan 0.000 0.426 355 G N 1.008 109.912 108.800 0.174 0.000 2.692 355 G HA2 0.787 4.784 3.960 0.062 0.000 0.291 355 G HA3 0.787 4.784 3.960 0.062 0.000 0.291 355 G C -1.711 173.285 174.900 0.160 0.000 1.423 355 G CA -0.146 45.066 45.100 0.187 0.000 0.843 355 G HN 0.583 nan 8.290 nan 0.000 0.486 356 A N -0.973 121.955 122.820 0.179 0.000 2.594 356 A HA 1.036 5.393 4.320 0.062 0.000 0.295 356 A C -0.611 177.108 177.584 0.224 0.000 1.071 356 A CA 0.021 52.160 52.037 0.170 0.000 0.685 356 A CB 1.612 20.675 19.000 0.105 0.000 1.285 356 A HN 2.433 nan 8.150 nan 0.000 0.405 357 A N 0.882 123.834 122.820 0.220 0.000 2.486 357 A HA 0.920 5.277 4.320 0.062 0.000 0.300 357 A C -0.545 177.174 177.584 0.226 0.000 1.048 357 A CA -0.512 51.671 52.037 0.244 0.000 0.696 357 A CB 1.508 20.626 19.000 0.197 0.000 1.278 357 A HN 1.211 nan 8.150 nan 0.000 0.405 358 R N 0.492 121.127 120.500 0.225 0.000 2.740 358 R HA 0.723 5.100 4.340 0.062 0.000 0.273 358 R C -1.360 175.056 176.300 0.195 0.000 0.998 358 R CA -0.178 56.061 56.100 0.232 0.000 0.900 358 R CB 2.106 32.545 30.300 0.232 0.000 1.223 358 R HN 0.798 nan 8.270 nan 0.000 0.466 359 S N 1.417 117.221 115.700 0.174 0.000 2.532 359 S HA 0.439 4.946 4.470 0.062 0.000 0.299 359 S C -1.638 173.056 174.600 0.156 0.000 1.105 359 S CA -0.730 57.552 58.200 0.137 0.000 1.018 359 S CB 1.269 64.523 63.200 0.089 0.000 1.021 359 S HN 0.580 nan 8.310 nan 0.000 0.483 360 D N 2.388 122.880 120.400 0.152 0.000 2.498 360 D HA 0.297 4.974 4.640 0.062 0.000 0.247 360 D C -1.500 174.888 176.300 0.147 0.000 1.070 360 D CA -0.307 53.809 54.000 0.193 0.000 0.842 360 D CB 1.923 42.902 40.800 0.298 0.000 1.361 360 D HN 0.509 nan 8.370 nan 0.000 0.484 361 D N 1.683 122.178 120.400 0.158 0.000 2.441 361 D HA 0.141 4.819 4.640 0.062 0.000 0.231 361 D C -0.775 175.629 176.300 0.173 0.000 1.073 361 D CA -0.500 53.581 54.000 0.135 0.000 0.850 361 D CB 0.425 41.296 40.800 0.119 0.000 1.062 361 D HN 0.215 nan 8.370 nan 0.000 0.524 362 N N 1.398 120.221 118.700 0.204 0.000 2.426 362 N HA 0.104 4.881 4.740 0.062 0.000 0.275 362 N C 1.344 176.962 175.510 0.180 0.000 1.019 362 N CA -0.321 52.872 53.050 0.239 0.000 0.941 362 N CB 1.044 39.759 38.487 0.380 0.000 1.123 362 N HN 0.213 nan 8.380 nan 0.000 0.486 363 S N 2.358 118.146 115.700 0.147 0.000 2.419 363 S HA -0.252 4.255 4.470 0.062 0.000 0.233 363 S C 1.613 176.239 174.600 0.043 0.000 1.016 363 S CA 1.101 59.363 58.200 0.104 0.000 0.974 363 S CB -0.170 63.097 63.200 0.113 0.000 0.786 363 S HN 0.766 nan 8.310 nan 0.000 0.492 364 Q N 0.397 120.198 119.800 0.001 0.000 2.259 364 Q HA 0.304 4.681 4.340 0.062 0.000 0.201 364 Q C 0.995 176.727 176.000 -0.446 0.000 0.938 364 Q CA 0.952 56.594 55.803 -0.269 0.000 0.872 364 Q CB -0.228 28.245 28.738 -0.443 0.000 0.971 364 Q HN 0.611 nan 8.270 nan 0.000 0.494 365 F N -0.049 119.984 119.950 0.140 0.000 2.678 365 F HA 0.486 5.051 4.527 0.064 0.000 0.305 365 F C 1.210 177.156 175.800 0.243 0.000 1.090 365 F CA 0.189 58.305 58.000 0.193 0.000 1.272 365 F CB 0.839 39.948 39.000 0.181 0.000 1.060 365 F HN 0.272 nan 8.300 nan 0.000 0.576 366 G N 1.369 110.298 108.800 0.215 0.000 2.562 366 G HA2 -0.276 3.722 3.960 0.062 0.000 0.250 366 G HA3 -0.276 3.722 3.960 0.062 0.000 0.250 366 G C -0.248 174.617 174.900 -0.060 0.000 1.269 366 G CA -0.770 44.365 45.100 0.058 0.000 0.919 366 G HN 0.269 nan 8.290 nan 0.000 0.574 367 R N 0.550 120.873 120.500 -0.296 0.000 2.368 367 R HA 0.647 5.024 4.340 0.062 0.000 0.302 367 R C -0.614 175.237 176.300 -0.747 0.000 1.002 367 R CA -0.625 55.288 56.100 -0.313 0.000 0.929 367 R CB 1.184 31.392 30.300 -0.152 0.000 1.073 367 R HN 0.625 nan 8.270 nan 0.000 0.464 368 H N 0.553 119.560 119.070 -0.105 0.000 2.966 368 H HA 0.276 4.871 4.556 0.064 0.000 0.347 368 H C -0.413 174.835 175.328 -0.134 0.000 1.048 368 H CA -0.771 55.144 56.048 -0.221 0.000 1.295 368 H CB 2.194 31.588 29.762 -0.612 0.000 1.744 368 H HN 0.868 nan 8.280 nan 0.000 0.513 369 G N 1.049 109.878 108.800 0.048 0.000 2.441 369 G HA2 0.615 4.612 3.960 0.062 0.000 0.334 369 G HA3 0.615 4.612 3.960 0.062 0.000 0.334 369 G C -0.487 174.520 174.900 0.178 0.000 1.161 369 G CA -0.578 44.591 45.100 0.115 0.000 0.935 369 G HN 0.594 nan 8.290 nan 0.000 0.488 370 T N -1.704 112.996 114.554 0.243 0.000 2.868 370 T HA 0.773 5.160 4.350 0.062 0.000 0.306 370 T C -1.165 173.744 174.700 0.347 0.000 1.224 370 T CA -0.917 61.336 62.100 0.256 0.000 1.012 370 T CB 2.083 71.077 68.868 0.211 0.000 1.221 370 T HN 1.344 nan 8.240 nan 0.000 0.499 371 W N 0.829 122.148 121.300 0.033 0.000 3.153 371 W HA 0.670 5.369 4.660 0.064 0.000 0.316 371 W C -2.229 174.285 176.519 -0.008 0.000 1.255 371 W CA -1.126 56.240 57.345 0.036 0.000 1.192 371 W CB 0.858 30.357 29.460 0.065 0.000 1.400 371 W HN 1.128 nan 8.180 nan 0.000 0.568 372 Q N 1.286 121.096 119.800 0.016 0.000 2.435 372 Q HA 0.746 5.123 4.340 0.062 0.000 0.282 372 Q C -1.259 174.794 176.000 0.087 0.000 1.020 372 Q CA -0.857 54.807 55.803 -0.230 0.000 0.820 372 Q CB 2.633 31.252 28.738 -0.199 0.000 1.436 372 Q HN 0.527 nan 8.270 nan 0.000 0.395 373 T N -1.338 113.249 114.554 0.056 0.000 2.923 373 T HA 0.767 5.154 4.350 0.062 0.000 0.311 373 T C -0.714 174.082 174.700 0.160 0.000 1.183 373 T CA -0.715 61.510 62.100 0.208 0.000 1.020 373 T CB 1.865 70.953 68.868 0.365 0.000 1.165 373 T HN 0.522 nan 8.240 nan 0.000 0.482 374 S N 0.163 115.975 115.700 0.187 0.000 2.595 374 S HA 0.920 5.427 4.470 0.062 0.000 0.281 374 S C -1.060 173.674 174.600 0.224 0.000 1.117 374 S CA -0.911 57.396 58.200 0.177 0.000 0.873 374 S CB 1.792 65.066 63.200 0.123 0.000 1.108 374 S HN 1.310 nan 8.310 nan 0.000 0.477 375 A N 0.952 123.898 122.820 0.211 0.000 2.398 375 A HA 0.830 5.187 4.320 0.062 0.000 0.301 375 A C -0.171 177.496 177.584 0.139 0.000 1.041 375 A CA -0.605 51.529 52.037 0.161 0.000 0.711 375 A CB 1.273 20.448 19.000 0.292 0.000 1.240 375 A HN 0.949 nan 8.150 nan 0.000 0.420 376 G N 0.210 109.041 108.800 0.052 0.000 2.416 376 G HA2 0.518 4.516 3.960 0.062 0.000 0.329 376 G HA3 0.518 4.516 3.960 0.062 0.000 0.329 376 G C -1.324 173.656 174.900 0.133 0.000 1.173 376 G CA -0.442 44.722 45.100 0.106 0.000 0.929 376 G HN 0.930 nan 8.290 nan 0.000 0.475 377 W N 3.011 124.286 121.300 -0.042 0.000 2.393 377 W HA 0.497 5.193 4.660 0.061 0.000 0.315 377 W C -0.276 176.163 176.519 -0.134 0.000 1.009 377 W CA -1.781 55.392 57.345 -0.287 0.000 1.313 377 W CB 1.225 30.565 29.460 -0.199 0.000 1.269 377 W HN 0.525 nan 8.180 nan 0.000 0.420 378 E N 5.755 125.780 120.200 -0.292 0.000 1.791 378 E HA 0.021 4.409 4.350 0.062 0.000 0.263 378 E C 0.955 177.147 176.600 -0.679 0.000 1.213 378 E CA -0.195 55.939 56.400 -0.444 0.000 0.991 378 E CB -0.217 29.304 29.700 -0.298 0.000 1.068 378 E HN 0.518 nan 8.360 nan 0.000 0.417 379 F N 3.246 122.552 119.950 -1.072 0.000 2.365 379 F HA 0.179 4.743 4.527 0.062 0.000 0.300 379 F C 0.504 176.008 175.800 -0.494 0.000 1.090 379 F CA 0.030 57.302 58.000 -1.213 0.000 1.408 379 F CB 0.098 38.009 39.000 -1.816 0.000 1.060 379 F HN 0.192 nan 8.300 nan 0.000 0.534 380 I N -0.208 119.855 120.570 -0.846 0.000 2.913 380 I HA 0.176 4.383 4.170 0.062 0.000 0.302 380 I C -0.699 175.203 176.117 -0.358 0.000 1.246 380 I CA -1.058 59.983 61.300 -0.432 0.000 1.010 380 I CB 2.101 39.910 38.000 -0.319 0.000 1.259 380 I HN -0.058 nan 8.210 nan 0.000 0.434 381 E N 3.834 123.920 120.200 -0.190 0.000 2.414 381 E HA 0.263 4.650 4.350 0.062 0.000 0.263 381 E C 0.787 177.269 176.600 -0.198 0.000 1.000 381 E CA 1.307 57.599 56.400 -0.180 0.000 0.914 381 E CB 0.488 30.117 29.700 -0.119 0.000 0.948 381 E HN 0.891 nan 8.360 nan 0.000 0.444 382 G N 3.369 111.978 108.800 -0.319 0.000 2.195 382 G HA2 -0.284 3.713 3.960 0.062 0.000 0.246 382 G HA3 -0.284 3.713 3.960 0.062 0.000 0.246 382 G C -0.574 173.819 174.900 -0.844 0.000 0.984 382 G CA 0.306 45.098 45.100 -0.513 0.000 0.633 382 G HN 0.529 nan 8.290 nan 0.000 0.525 383 Y N -0.222 119.751 120.300 -0.544 0.000 2.425 383 Y HA 0.803 5.390 4.550 0.062 0.000 0.344 383 Y C 0.403 175.886 175.900 -0.695 0.000 0.969 383 Y CA -0.929 56.787 58.100 -0.640 0.000 1.052 383 Y CB 1.978 39.954 38.460 -0.807 0.000 1.215 383 Y HN 0.307 nan 8.280 nan 0.000 0.451 384 R N 2.594 122.946 120.500 -0.248 0.000 2.651 384 R HA 0.614 4.991 4.340 0.062 0.000 0.278 384 R C -2.132 174.196 176.300 0.046 0.000 1.010 384 R CA -0.588 55.420 56.100 -0.153 0.000 0.896 384 R CB 1.433 31.648 30.300 -0.141 0.000 1.211 384 R HN 0.636 nan 8.270 nan 0.000 0.456 385 F N 4.158 124.269 119.950 0.269 0.000 2.450 385 F HA 0.572 5.136 4.527 0.062 0.000 0.332 385 F C 0.128 176.047 175.800 0.199 0.000 1.093 385 F CA -0.887 57.243 58.000 0.217 0.000 1.003 385 F CB 1.709 40.791 39.000 0.137 0.000 1.151 385 F HN 0.166 nan 8.300 nan 0.000 0.474 386 I N 2.395 123.204 120.570 0.400 0.000 2.533 386 I HA 0.597 4.804 4.170 0.062 0.000 0.290 386 I C -0.861 175.407 176.117 0.251 0.000 1.056 386 I CA -0.807 60.654 61.300 0.269 0.000 1.057 386 I CB 2.068 40.184 38.000 0.192 0.000 1.240 386 I HN 0.623 nan 8.210 nan 0.000 0.423 387 A N 4.158 127.115 122.820 0.228 0.000 2.343 387 A HA 0.883 5.240 4.320 0.062 0.000 0.316 387 A C -0.710 176.996 177.584 0.205 0.000 1.104 387 A CA -0.427 51.739 52.037 0.216 0.000 0.768 387 A CB 1.430 20.555 19.000 0.209 0.000 1.213 387 A HN 0.595 nan 8.150 nan 0.000 0.456 388 S N 0.323 116.141 115.700 0.197 0.000 2.548 388 S HA 0.722 5.229 4.470 0.062 0.000 0.286 388 S C -1.529 173.159 174.600 0.147 0.000 1.098 388 S CA -0.342 57.944 58.200 0.143 0.000 0.930 388 S CB 1.381 64.630 63.200 0.082 0.000 1.070 388 S HN 0.730 nan 8.310 nan 0.000 0.480 389 Y N 0.511 120.740 120.300 -0.118 0.000 2.492 389 Y HA 0.714 5.300 4.550 0.062 0.000 0.346 389 Y C -0.312 175.281 175.900 -0.512 0.000 0.997 389 Y CA -0.289 57.598 58.100 -0.354 0.000 1.025 389 Y CB 1.744 39.981 38.460 -0.371 0.000 1.263 389 Y HN 0.864 nan 8.280 nan 0.000 0.454 390 G N 1.912 109.789 108.800 -1.539 0.000 2.703 390 G HA2 0.498 4.495 3.960 0.062 0.000 0.294 390 G HA3 0.498 4.495 3.960 0.062 0.000 0.294 390 G C -1.505 172.660 174.900 -1.225 0.000 1.451 390 G CA -0.534 43.824 45.100 -1.236 0.000 0.869 390 G HN 0.806 nan 8.290 nan 0.000 0.516 391 T N -1.577 112.453 114.554 -0.874 0.000 2.940 391 T HA 0.877 5.265 4.350 0.062 0.000 0.288 391 T C 0.231 174.792 174.700 -0.231 0.000 1.033 391 T CA -0.042 61.767 62.100 -0.485 0.000 1.033 391 T CB 1.774 70.467 68.868 -0.293 0.000 1.079 391 T HN 1.801 nan 8.240 nan 0.000 0.496 392 S N 0.463 116.102 115.700 -0.101 0.000 2.615 392 S HA 0.789 5.296 4.470 0.062 0.000 0.269 392 S C -1.518 173.149 174.600 0.111 0.000 1.161 392 S CA -1.127 57.071 58.200 -0.003 0.000 0.817 392 S CB 1.113 64.253 63.200 -0.100 0.000 1.131 392 S HN 1.446 nan 8.310 nan 0.000 0.467 393 Y N -1.019 119.230 120.300 -0.086 0.000 2.670 393 Y HA 0.823 5.409 4.550 0.060 0.000 0.334 393 Y C -1.381 174.439 175.900 -0.133 0.000 1.185 393 Y CA -1.090 56.940 58.100 -0.116 0.000 1.053 393 Y CB 1.392 39.759 38.460 -0.155 0.000 1.298 393 Y HN 0.931 nan 8.280 nan 0.000 0.459 394 K N 1.906 122.181 120.400 -0.208 0.000 2.541 394 K HA 0.805 5.162 4.320 0.062 0.000 0.250 394 K C -1.649 174.805 176.600 -0.244 0.000 0.950 394 K CA -0.825 55.249 56.287 -0.355 0.000 0.805 394 K CB 1.815 34.124 32.500 -0.319 0.000 1.166 394 K HN 1.019 nan 8.250 nan 0.000 0.430 395 A N 5.407 128.078 122.820 -0.248 0.000 2.276 395 A HA 0.458 4.815 4.320 0.062 0.000 0.300 395 A C -2.441 174.904 177.584 -0.399 0.000 1.235 395 A CA -1.701 50.082 52.037 -0.423 0.000 0.867 395 A CB 0.217 19.128 19.000 -0.149 0.000 1.137 395 A HN 0.504 nan 8.150 nan 0.000 0.527 396 P HA -0.032 nan 4.420 nan 0.000 0.261 396 P C -0.363 176.901 177.300 -0.059 0.000 1.173 396 P CA 0.494 63.439 63.100 -0.257 0.000 0.760 396 P CB 0.438 32.034 31.700 -0.173 0.000 0.783 397 N N 2.773 121.405 118.700 -0.114 0.000 2.448 397 N HA 0.181 4.958 4.740 0.062 0.000 0.274 397 N C 0.993 176.485 175.510 -0.029 0.000 1.239 397 N CA -0.575 52.456 53.050 -0.031 0.000 0.982 397 N CB -0.185 38.265 38.487 -0.062 0.000 1.199 397 N HN 0.119 nan 8.380 nan 0.000 0.576 398 L N -1.038 120.213 121.223 0.048 0.000 2.043 398 L HA -0.139 4.239 4.340 0.062 0.000 0.212 398 L C 2.326 179.220 176.870 0.041 0.000 1.075 398 L CA 2.004 56.908 54.840 0.107 0.000 0.752 398 L CB -1.013 41.157 42.059 0.184 0.000 0.891 398 L HN 0.872 nan 8.230 nan 0.000 0.432 399 G N -1.227 107.597 108.800 0.040 0.000 2.408 399 G HA2 -0.229 3.769 3.960 0.062 0.000 0.217 399 G HA3 -0.229 3.769 3.960 0.062 0.000 0.217 399 G C 1.508 176.440 174.900 0.052 0.000 1.150 399 G CA 0.287 45.435 45.100 0.080 0.000 0.776 399 G HN 0.404 nan 8.290 nan 0.000 0.542 400 Q N -0.543 119.198 119.800 -0.098 0.000 2.230 400 Q HA 0.170 4.547 4.340 0.062 0.000 0.202 400 Q C 2.542 178.419 176.000 -0.205 0.000 0.963 400 Q CA 0.478 56.135 55.803 -0.242 0.000 0.866 400 Q CB -0.051 28.370 28.738 -0.527 0.000 0.931 400 Q HN 0.433 nan 8.270 nan 0.000 0.452 401 L N -1.587 119.431 121.223 -0.341 0.000 2.127 401 L HA -0.066 4.311 4.340 0.062 0.000 0.203 401 L C 1.124 177.548 176.870 -0.743 0.000 1.080 401 L CA 1.049 55.498 54.840 -0.651 0.000 0.768 401 L CB 0.098 41.521 42.059 -1.060 0.000 0.924 401 L HN 0.234 nan 8.230 nan 0.000 0.444 402 Y N -1.122 119.088 120.300 -0.150 0.000 2.527 402 Y HA 0.331 4.920 4.550 0.066 0.000 0.247 402 Y C 1.383 177.248 175.900 -0.059 0.000 1.138 402 Y CA -0.558 57.402 58.100 -0.232 0.000 1.228 402 Y CB 0.313 38.343 38.460 -0.716 0.000 1.252 402 Y HN -0.004 nan 8.280 nan 0.000 0.531 403 G N -0.397 108.478 108.800 0.124 0.000 2.580 403 G HA2 0.052 4.050 3.960 0.062 0.000 0.278 403 G HA3 0.052 4.050 3.960 0.062 0.000 0.278 403 G C 0.516 175.509 174.900 0.156 0.000 1.212 403 G CA -0.428 44.776 45.100 0.172 0.000 0.939 403 G HN 0.348 nan 8.290 nan 0.000 0.513 404 F N -0.434 119.479 119.950 -0.061 0.000 2.115 404 F HA -0.242 4.325 4.527 0.066 0.000 0.300 404 F C 1.848 177.540 175.800 -0.181 0.000 1.092 404 F CA 1.704 59.581 58.000 -0.204 0.000 1.245 404 F CB 0.028 38.759 39.000 -0.448 0.000 0.995 404 F HN 0.432 nan 8.300 nan 0.000 0.481 405 Y N -0.297 120.019 120.300 0.028 0.000 2.466 405 Y HA 0.282 4.870 4.550 0.064 0.000 0.272 405 Y C 1.471 177.445 175.900 0.124 0.000 1.169 405 Y CA -0.296 57.776 58.100 -0.047 0.000 1.285 405 Y CB -0.359 38.102 38.460 0.002 0.000 1.078 405 Y HN 0.043 nan 8.280 nan 0.000 0.523 406 G N 0.142 109.104 108.800 0.270 0.000 2.702 406 G HA2 0.357 4.355 3.960 0.062 0.000 0.254 406 G HA3 0.357 4.355 3.960 0.062 0.000 0.254 406 G C -1.270 173.698 174.900 0.113 0.000 1.380 406 G CA -0.626 44.646 45.100 0.287 0.000 1.042 406 G HN 0.131 nan 8.290 nan 0.000 0.557 407 N N -0.673 118.049 118.700 0.037 0.000 2.648 407 N HA 0.255 5.033 4.740 0.062 0.000 0.272 407 N C -2.347 173.125 175.510 -0.064 0.000 1.118 407 N CA -1.400 51.658 53.050 0.013 0.000 0.973 407 N CB 2.385 40.909 38.487 0.061 0.000 1.565 407 N HN 0.053 nan 8.380 nan 0.000 0.542 408 P HA -0.010 nan 4.420 nan 0.000 0.231 408 P C -0.184 177.097 177.300 -0.031 0.000 1.158 408 P CA 0.784 63.808 63.100 -0.126 0.000 0.763 408 P CB 0.270 31.995 31.700 0.043 0.000 0.805 409 N N -0.338 118.370 118.700 0.014 0.000 2.268 409 N HA 0.118 4.895 4.740 0.062 0.000 0.204 409 N C 0.562 176.114 175.510 0.070 0.000 1.124 409 N CA -0.098 52.983 53.050 0.052 0.000 0.838 409 N CB 0.267 38.788 38.487 0.056 0.000 0.994 409 N HN 0.264 nan 8.380 nan 0.000 0.489 410 L N 1.394 122.647 121.223 0.050 0.000 2.490 410 L HA 0.030 4.407 4.340 0.062 0.000 0.274 410 L C 0.580 177.498 176.870 0.081 0.000 1.201 410 L CA 0.421 55.281 54.840 0.034 0.000 0.869 410 L CB 0.451 42.484 42.059 -0.043 0.000 1.123 410 L HN -0.052 nan 8.230 nan 0.000 0.484 411 D N 3.674 124.089 120.400 0.026 0.000 2.312 411 D HA 0.291 4.969 4.640 0.062 0.000 0.248 411 D C -2.247 173.935 176.300 -0.196 0.000 1.086 411 D CA -1.229 52.774 54.000 0.006 0.000 0.948 411 D CB 0.989 41.801 40.800 0.021 0.000 1.162 411 D HN 0.222 nan 8.370 nan 0.000 0.446 412 P HA 0.025 nan 4.420 nan 0.000 0.267 412 P C -0.553 176.635 177.300 -0.188 0.000 1.200 412 P CA 0.225 63.077 63.100 -0.413 0.000 0.772 412 P CB 0.556 31.976 31.700 -0.467 0.000 0.855 413 E N 2.077 122.194 120.200 -0.137 0.000 2.227 413 E HA 0.306 4.694 4.350 0.062 0.000 0.282 413 E C -0.502 176.095 176.600 -0.004 0.000 1.015 413 E CA -0.574 55.800 56.400 -0.044 0.000 0.823 413 E CB 0.882 30.582 29.700 -0.000 0.000 1.081 413 E HN 0.278 nan 8.360 nan 0.000 0.396 414 K N 1.330 121.737 120.400 0.011 0.000 2.324 414 K HA 0.417 4.775 4.320 0.062 0.000 0.253 414 K C -0.869 175.744 176.600 0.021 0.000 0.932 414 K CA -0.607 55.699 56.287 0.031 0.000 0.799 414 K CB 2.207 34.722 32.500 0.025 0.000 1.154 414 K HN 0.317 nan 8.250 nan 0.000 0.425 415 S N 2.213 117.911 115.700 -0.004 0.000 2.513 415 S HA 0.482 4.990 4.470 0.062 0.000 0.299 415 S C -1.290 173.224 174.600 -0.143 0.000 1.087 415 S CA -0.869 57.303 58.200 -0.046 0.000 1.012 415 S CB 0.668 63.834 63.200 -0.058 0.000 1.044 415 S HN 0.486 nan 8.310 nan 0.000 0.485 416 K N 2.930 123.225 120.400 -0.174 0.000 2.323 416 K HA 0.434 4.791 4.320 0.062 0.000 0.259 416 K C -0.917 175.353 176.600 -0.551 0.000 0.947 416 K CA -0.569 55.440 56.287 -0.463 0.000 0.819 416 K CB 1.887 34.201 32.500 -0.310 0.000 1.109 416 K HN 0.630 nan 8.250 nan 0.000 0.429 417 Q N 2.102 121.418 119.800 -0.806 0.000 2.356 417 Q HA 0.400 4.778 4.340 0.062 0.000 0.270 417 Q C -1.227 174.508 176.000 -0.442 0.000 1.058 417 Q CA -0.770 54.803 55.803 -0.383 0.000 0.802 417 Q CB 2.372 30.962 28.738 -0.247 0.000 1.303 417 Q HN 0.468 nan 8.270 nan 0.000 0.444 418 W N 1.688 123.054 121.300 0.110 0.000 2.632 418 W HA 0.508 5.202 4.660 0.057 0.000 0.328 418 W C -0.173 176.441 176.519 0.157 0.000 1.044 418 W CA -0.436 57.015 57.345 0.177 0.000 1.225 418 W CB 2.129 31.708 29.460 0.198 0.000 1.396 418 W HN 0.646 nan 8.180 nan 0.000 0.499 419 E N 0.959 121.371 120.200 0.353 0.000 2.308 419 E HA 0.602 4.989 4.350 0.062 0.000 0.275 419 E C -0.875 175.878 176.600 0.255 0.000 0.890 419 E CA -0.506 56.072 56.400 0.296 0.000 0.754 419 E CB 2.260 32.092 29.700 0.220 0.000 1.207 419 E HN 0.539 nan 8.360 nan 0.000 0.426 420 G N 1.532 110.475 108.800 0.239 0.000 2.566 420 G HA2 0.735 4.732 3.960 0.062 0.000 0.311 420 G HA3 0.735 4.732 3.960 0.062 0.000 0.311 420 G C -1.373 173.676 174.900 0.249 0.000 1.322 420 G CA -0.304 44.927 45.100 0.219 0.000 0.969 420 G HN 0.534 nan 8.290 nan 0.000 0.490 421 A N 1.338 124.331 122.820 0.289 0.000 2.454 421 A HA 0.832 5.189 4.320 0.062 0.000 0.302 421 A C -1.896 175.994 177.584 0.509 0.000 1.079 421 A CA -0.663 51.576 52.037 0.336 0.000 0.731 421 A CB 2.045 21.189 19.000 0.239 0.000 1.299 421 A HN 1.028 nan 8.150 nan 0.000 0.413 422 F N 1.821 121.966 119.950 0.325 0.000 2.539 422 F HA 0.574 5.138 4.527 0.061 0.000 0.318 422 F C -0.388 175.442 175.800 0.050 0.000 1.135 422 F CA -1.322 56.873 58.000 0.325 0.000 0.915 422 F CB 1.758 41.099 39.000 0.567 0.000 1.176 422 F HN 0.800 nan 8.300 nan 0.000 0.440 423 E N 4.089 124.207 120.200 -0.137 0.000 2.317 423 E HA 0.854 5.241 4.350 0.062 0.000 0.270 423 E C -1.108 174.703 176.600 -1.315 0.000 0.885 423 E CA -1.319 54.587 56.400 -0.824 0.000 0.760 423 E CB 2.633 32.081 29.700 -0.420 0.000 1.227 423 E HN 0.792 nan 8.360 nan 0.000 0.434 424 G N 1.208 108.723 108.800 -2.143 0.000 2.684 424 G HA2 0.466 4.463 3.960 0.062 0.000 0.290 424 G HA3 0.466 4.463 3.960 0.062 0.000 0.290 424 G C -1.784 172.270 174.900 -1.409 0.000 1.425 424 G CA -0.945 43.091 45.100 -1.774 0.000 0.822 424 G HN 0.464 nan 8.290 nan 0.000 0.482 425 L N 1.251 121.864 121.223 -1.017 0.000 2.316 425 L HA 0.674 5.051 4.340 0.062 0.000 0.280 425 L C -0.771 175.943 176.870 -0.260 0.000 1.006 425 L CA -0.418 54.121 54.840 -0.501 0.000 0.836 425 L CB 1.628 43.441 42.059 -0.410 0.000 1.221 425 L HN 0.521 nan 8.230 nan 0.000 0.418 426 T N 3.539 118.139 114.554 0.077 0.000 2.847 426 T HA 0.426 4.813 4.350 0.062 0.000 0.291 426 T C 0.395 175.144 174.700 0.081 0.000 0.998 426 T CA 0.253 62.462 62.100 0.183 0.000 0.967 426 T CB 1.532 70.607 68.868 0.345 0.000 0.954 426 T HN 0.767 nan 8.240 nan 0.000 0.441 427 A N 2.231 125.080 122.820 0.048 0.000 2.640 427 A HA 0.072 4.429 4.320 0.062 0.000 0.300 427 A C 1.666 179.256 177.584 0.010 0.000 1.499 427 A CA 1.428 53.475 52.037 0.017 0.000 0.759 427 A CB -1.953 17.047 19.000 -0.000 0.000 1.048 427 A HN 2.393 nan 8.150 nan 0.000 0.450 428 G N -3.668 105.145 108.800 0.022 0.000 2.175 428 G HA2 0.014 4.012 3.960 0.062 0.000 0.244 428 G HA3 0.014 4.012 3.960 0.062 0.000 0.244 428 G C 0.238 175.190 174.900 0.087 0.000 0.982 428 G CA 0.344 45.471 45.100 0.046 0.000 0.641 428 G HN 1.864 nan 8.290 nan 0.000 0.527 429 V N 1.229 121.186 119.914 0.072 0.000 2.347 429 V HA 0.532 4.690 4.120 0.062 0.000 0.280 429 V C 0.192 176.389 176.094 0.171 0.000 1.021 429 V CA -0.908 61.466 62.300 0.123 0.000 0.847 429 V CB 1.510 33.324 31.823 -0.015 0.000 0.990 429 V HN 0.362 nan 8.190 nan 0.000 0.444 430 N N 6.819 125.604 118.700 0.141 0.000 2.420 430 N HA 0.372 5.149 4.740 0.062 0.000 0.249 430 N C -0.793 174.768 175.510 0.085 0.000 1.033 430 N CA -0.553 52.501 53.050 0.006 0.000 0.944 430 N CB 0.647 39.133 38.487 -0.001 0.000 1.113 430 N HN 0.763 nan 8.380 nan 0.000 0.502 431 W N 2.921 124.158 121.300 -0.104 0.000 3.029 431 W HA 0.632 5.329 4.660 0.061 0.000 0.339 431 W C -1.090 175.373 176.519 -0.094 0.000 1.198 431 W CA -1.061 56.236 57.345 -0.080 0.000 1.148 431 W CB 1.036 30.431 29.460 -0.108 0.000 1.451 431 W HN 0.395 nan 8.180 nan 0.000 0.564 432 R N 1.722 122.374 120.500 0.254 0.000 2.604 432 R HA 0.697 5.074 4.340 0.062 0.000 0.270 432 R C -2.280 174.214 176.300 0.323 0.000 1.052 432 R CA -0.683 55.512 56.100 0.159 0.000 0.902 432 R CB 2.904 33.218 30.300 0.023 0.000 1.233 432 R HN 0.743 nan 8.270 nan 0.000 0.455 433 I N 2.645 123.435 120.570 0.366 0.000 2.619 433 I HA 0.560 4.767 4.170 0.062 0.000 0.292 433 I C -1.398 174.905 176.117 0.311 0.000 1.100 433 I CA -0.309 61.184 61.300 0.321 0.000 1.043 433 I CB 2.193 40.380 38.000 0.311 0.000 1.239 433 I HN 0.884 nan 8.210 nan 0.000 0.420 434 S N 4.420 120.280 115.700 0.268 0.000 2.595 434 S HA 0.898 5.406 4.470 0.062 0.000 0.281 434 S C -0.550 174.196 174.600 0.243 0.000 1.117 434 S CA -0.675 57.685 58.200 0.266 0.000 0.873 434 S CB 1.758 65.109 63.200 0.251 0.000 1.108 434 S HN 0.906 nan 8.310 nan 0.000 0.477 435 G N 0.761 109.690 108.800 0.216 0.000 2.461 435 G HA2 0.676 4.673 3.960 0.062 0.000 0.323 435 G HA3 0.676 4.673 3.960 0.062 0.000 0.323 435 G C -1.231 173.798 174.900 0.215 0.000 1.229 435 G CA -0.921 44.259 45.100 0.133 0.000 0.941 435 G HN 0.918 nan 8.290 nan 0.000 0.477 436 Y N -0.261 120.123 120.300 0.139 0.000 2.605 436 Y HA 0.856 5.441 4.550 0.058 0.000 0.343 436 Y C -0.324 175.675 175.900 0.166 0.000 1.036 436 Y CA -1.784 56.409 58.100 0.155 0.000 1.065 436 Y CB 1.862 40.396 38.460 0.124 0.000 1.288 436 Y HN 0.629 nan 8.280 nan 0.000 0.481 437 R N 2.226 122.988 120.500 0.438 0.000 2.621 437 R HA 0.471 4.849 4.340 0.062 0.000 0.284 437 R C -2.052 174.545 176.300 0.495 0.000 0.998 437 R CA -0.723 55.605 56.100 0.380 0.000 0.895 437 R CB 1.490 31.952 30.300 0.270 0.000 1.195 437 R HN 0.883 nan 8.270 nan 0.000 0.450 438 N N 2.563 121.491 118.700 0.379 0.000 2.491 438 N HA 0.220 4.998 4.740 0.062 0.000 0.274 438 N C -1.830 173.821 175.510 0.236 0.000 1.023 438 N CA -0.548 52.663 53.050 0.268 0.000 0.902 438 N CB 1.669 40.264 38.487 0.181 0.000 1.267 438 N HN 0.515 nan 8.380 nan 0.000 0.503 439 D N 2.083 122.652 120.400 0.282 0.000 2.359 439 D HA 0.239 4.917 4.640 0.062 0.000 0.230 439 D C -0.329 176.043 176.300 0.120 0.000 1.118 439 D CA -0.076 54.058 54.000 0.223 0.000 0.844 439 D CB 1.327 42.332 40.800 0.342 0.000 1.059 439 D HN 0.129 nan 8.370 nan 0.000 0.493 440 V N 2.054 122.012 119.914 0.075 0.000 2.398 440 V HA 0.353 4.511 4.120 0.062 0.000 0.286 440 V C 0.470 176.590 176.094 0.044 0.000 1.026 440 V CA -0.715 61.608 62.300 0.039 0.000 0.868 440 V CB 1.717 33.539 31.823 -0.002 0.000 0.982 440 V HN 0.383 nan 8.190 nan 0.000 0.443 441 S N 3.012 118.738 115.700 0.043 0.000 2.554 441 S HA 0.332 4.839 4.470 0.062 0.000 0.278 441 S C 0.089 174.705 174.600 0.026 0.000 1.242 441 S CA -0.431 57.794 58.200 0.042 0.000 1.051 441 S CB 0.600 63.830 63.200 0.049 0.000 0.986 441 S HN 0.922 nan 8.310 nan 0.000 0.502 442 D N 0.967 121.383 120.400 0.027 0.000 2.708 442 D HA -0.157 4.520 4.640 0.062 0.000 0.236 442 D C -0.257 176.044 176.300 0.002 0.000 1.146 442 D CA 0.402 54.412 54.000 0.016 0.000 0.662 442 D CB -0.932 39.873 40.800 0.008 0.000 1.059 442 D HN 0.474 nan 8.370 nan 0.000 0.428 443 L N 0.453 121.677 121.223 0.001 0.000 2.525 443 L HA 0.098 4.476 4.340 0.062 0.000 0.278 443 L C 0.712 177.560 176.870 -0.038 0.000 1.218 443 L CA 0.447 55.280 54.840 -0.012 0.000 0.878 443 L CB 0.332 42.362 42.059 -0.049 0.000 1.127 443 L HN 0.055 nan 8.230 nan 0.000 0.492 444 I N 4.744 125.317 120.570 0.004 0.000 2.336 444 I HA 0.239 4.446 4.170 0.062 0.000 0.292 444 I C -0.213 175.870 176.117 -0.057 0.000 0.991 444 I CA -0.379 60.882 61.300 -0.065 0.000 1.227 444 I CB 1.483 39.448 38.000 -0.058 0.000 1.366 444 I HN 0.558 nan 8.210 nan 0.000 0.466 445 D N 4.319 124.503 120.400 -0.360 0.000 2.467 445 D HA 0.328 5.005 4.640 0.062 0.000 0.245 445 D C -1.428 174.778 176.300 -0.156 0.000 1.038 445 D CA -0.290 53.565 54.000 -0.243 0.000 1.038 445 D CB 2.358 42.973 40.800 -0.308 0.000 1.278 445 D HN 0.318 nan 8.370 nan 0.000 0.564 446 Y N 0.477 120.779 120.300 0.005 0.000 2.393 446 Y HA 0.315 4.908 4.550 0.072 0.000 0.341 446 Y C -1.078 174.960 175.900 0.231 0.000 0.988 446 Y CA -0.778 57.325 58.100 0.005 0.000 1.078 446 Y CB 1.561 39.881 38.460 -0.234 0.000 1.203 446 Y HN 0.061 nan 8.280 nan 0.000 0.453 447 D N 4.554 124.654 120.400 -0.501 0.000 2.427 447 D HA 0.130 4.807 4.640 0.062 0.000 0.226 447 D C 0.196 176.039 176.300 -0.762 0.000 1.076 447 D CA -0.529 53.260 54.000 -0.352 0.000 0.849 447 D CB 0.959 41.641 40.800 -0.196 0.000 1.052 447 D HN 0.736 nan 8.370 nan 0.000 0.515 448 D N 2.287 122.434 120.400 -0.420 0.000 2.178 448 D HA -0.235 4.443 4.640 0.062 0.000 0.201 448 D C 1.513 177.727 176.300 -0.143 0.000 0.980 448 D CA 1.220 55.115 54.000 -0.175 0.000 0.842 448 D CB -0.393 40.460 40.800 0.089 0.000 0.948 448 D HN 0.572 nan 8.370 nan 0.000 0.472 449 H N 0.662 119.567 119.070 -0.276 0.000 2.299 449 H HA -0.054 4.539 4.556 0.062 0.000 0.302 449 H C 1.778 176.897 175.328 -0.347 0.000 1.078 449 H CA 2.881 58.668 56.048 -0.434 0.000 1.323 449 H CB -0.224 28.977 29.762 -0.936 0.000 1.381 449 H HN 0.247 nan 8.280 nan 0.000 0.498 450 T N -1.432 112.935 114.554 -0.312 0.000 3.113 450 T HA 0.084 4.472 4.350 0.062 0.000 0.256 450 T C 0.916 175.485 174.700 -0.219 0.000 1.131 450 T CA 0.464 62.397 62.100 -0.279 0.000 1.074 450 T CB -0.430 68.327 68.868 -0.184 0.000 0.944 450 T HN 0.421 nan 8.240 nan 0.000 0.516 451 L N -0.032 121.056 121.223 -0.224 0.000 3.660 451 L HA -0.153 4.225 4.340 0.062 0.000 0.440 451 L C -0.587 176.275 176.870 -0.013 0.000 1.262 451 L CA 0.420 55.232 54.840 -0.046 0.000 0.837 451 L CB -1.456 40.698 42.059 0.158 0.000 1.689 451 L HN 0.305 nan 8.230 nan 0.000 0.890 452 K N -0.332 119.912 120.400 -0.260 0.000 2.523 452 K HA 0.477 4.834 4.320 0.062 0.000 0.257 452 K C -0.553 176.019 176.600 -0.046 0.000 0.932 452 K CA -0.804 55.452 56.287 -0.053 0.000 0.812 452 K CB 1.400 33.895 32.500 -0.008 0.000 1.326 452 K HN -0.076 nan 8.250 nan 0.000 0.433 453 Y N 1.542 121.985 120.300 0.239 0.000 2.550 453 Y HA 0.070 4.653 4.550 0.054 0.000 0.343 453 Y C 0.645 176.653 175.900 0.181 0.000 1.245 453 Y CA 0.421 58.629 58.100 0.180 0.000 1.462 453 Y CB 0.359 38.889 38.460 0.117 0.000 1.340 453 Y HN 0.521 nan 8.280 nan 0.000 0.604 454 Y N -0.691 119.739 120.300 0.215 0.000 2.638 454 Y HA 0.450 4.994 4.550 -0.010 0.000 0.335 454 Y C -1.472 174.496 175.900 0.114 0.000 1.155 454 Y CA -1.823 56.348 58.100 0.118 0.000 1.046 454 Y CB 1.022 39.518 38.460 0.061 0.000 1.303 454 Y HN 0.482 nan 8.280 nan 0.000 0.460 455 N N 1.697 120.493 118.700 0.161 0.000 2.426 455 N HA 0.112 4.889 4.740 0.062 0.000 0.257 455 N C 0.387 175.993 175.510 0.159 0.000 1.002 455 N CA -0.197 52.892 53.050 0.065 0.000 0.942 455 N CB 1.617 40.154 38.487 0.084 0.000 1.112 455 N HN 0.931 nan 8.380 nan 0.000 0.499 456 E N 3.868 124.092 120.200 0.041 0.000 2.285 456 E HA 0.140 4.528 4.350 0.062 0.000 0.194 456 E C 0.829 177.501 176.600 0.119 0.000 0.997 456 E CA 1.168 57.661 56.400 0.156 0.000 0.845 456 E CB -0.294 29.442 29.700 0.059 0.000 0.782 456 E HN 0.828 nan 8.360 nan 0.000 0.491 457 G N -0.199 108.646 108.800 0.076 0.000 2.464 457 G HA2 -0.224 3.773 3.960 0.062 0.000 0.216 457 G HA3 -0.224 3.773 3.960 0.062 0.000 0.216 457 G C -0.991 173.938 174.900 0.048 0.000 1.186 457 G CA -0.254 44.885 45.100 0.065 0.000 1.010 457 G HN 0.183 nan 8.290 nan 0.000 0.585 458 K N 1.044 121.473 120.400 0.049 0.000 2.234 458 K HA 0.639 4.996 4.320 0.062 0.000 0.282 458 K C 0.171 176.796 176.600 0.042 0.000 1.039 458 K CA 0.349 56.665 56.287 0.048 0.000 0.928 458 K CB 1.521 34.053 32.500 0.053 0.000 1.039 458 K HN 1.003 nan 8.250 nan 0.000 0.470 459 A N 3.432 126.275 122.820 0.039 0.000 2.374 459 A HA 0.568 4.925 4.320 0.062 0.000 0.317 459 A C -0.955 176.659 177.584 0.050 0.000 1.094 459 A CA -0.777 51.279 52.037 0.031 0.000 0.765 459 A CB 1.228 20.234 19.000 0.009 0.000 1.268 459 A HN 0.793 nan 8.150 nan 0.000 0.438 460 R N 1.908 122.438 120.500 0.049 0.000 2.476 460 R HA 0.632 5.009 4.340 0.062 0.000 0.305 460 R C -1.879 174.459 176.300 0.064 0.000 0.965 460 R CA -0.487 55.656 56.100 0.072 0.000 0.867 460 R CB 0.825 31.162 30.300 0.062 0.000 1.176 460 R HN 0.620 nan 8.270 nan 0.000 0.447 461 I N 4.098 124.727 120.570 0.099 0.000 2.354 461 I HA 0.352 4.559 4.170 0.062 0.000 0.292 461 I C -0.334 175.845 176.117 0.103 0.000 0.989 461 I CA -0.322 61.041 61.300 0.104 0.000 1.188 461 I CB 1.788 39.883 38.000 0.158 0.000 1.342 461 I HN 0.391 nan 8.210 nan 0.000 0.457 462 K N 4.071 124.479 120.400 0.014 0.000 2.270 462 K HA 0.864 5.222 4.320 0.062 0.000 0.255 462 K C -0.276 176.186 176.600 -0.230 0.000 0.936 462 K CA -0.764 55.472 56.287 -0.085 0.000 0.809 462 K CB 2.317 34.814 32.500 -0.004 0.000 1.131 462 K HN 0.808 nan 8.250 nan 0.000 0.427 463 G N 0.581 108.988 108.800 -0.656 0.000 2.718 463 G HA2 0.568 4.566 3.960 0.062 0.000 0.295 463 G HA3 0.568 4.566 3.960 0.062 0.000 0.295 463 G C -1.666 172.919 174.900 -0.525 0.000 1.421 463 G CA -0.456 44.162 45.100 -0.803 0.000 0.902 463 G HN 0.326 nan 8.290 nan 0.000 0.501 464 V N 0.437 120.312 119.914 -0.065 0.000 2.656 464 V HA 0.614 4.771 4.120 0.062 0.000 0.307 464 V C -0.501 175.716 176.094 0.205 0.000 1.051 464 V CA -0.758 61.601 62.300 0.098 0.000 0.893 464 V CB 1.907 33.831 31.823 0.169 0.000 0.999 464 V HN 0.851 nan 8.190 nan 0.000 0.426 465 E N 2.962 123.319 120.200 0.261 0.000 2.191 465 E HA 0.752 5.139 4.350 0.062 0.000 0.263 465 E C -0.910 175.838 176.600 0.247 0.000 0.881 465 E CA -0.587 55.957 56.400 0.239 0.000 0.757 465 E CB 1.834 31.674 29.700 0.232 0.000 1.147 465 E HN 0.871 nan 8.360 nan 0.000 0.414 466 A N 3.195 126.180 122.820 0.275 0.000 2.342 466 A HA 0.701 5.058 4.320 0.062 0.000 0.323 466 A C -0.474 177.235 177.584 0.208 0.000 1.125 466 A CA -0.556 51.633 52.037 0.254 0.000 0.785 466 A CB 1.560 20.717 19.000 0.262 0.000 1.221 466 A HN 0.629 nan 8.150 nan 0.000 0.463 467 T N -1.205 113.459 114.554 0.183 0.000 2.906 467 T HA 0.894 5.282 4.350 0.062 0.000 0.295 467 T C -0.488 174.313 174.700 0.170 0.000 1.061 467 T CA -0.147 62.040 62.100 0.145 0.000 1.000 467 T CB 1.803 70.733 68.868 0.102 0.000 1.103 467 T HN 2.132 nan 8.240 nan 0.000 0.486 468 A N 2.214 125.126 122.820 0.153 0.000 2.594 468 A HA 0.832 5.189 4.320 0.062 0.000 0.295 468 A C -1.274 176.426 177.584 0.194 0.000 1.071 468 A CA -1.074 51.095 52.037 0.220 0.000 0.685 468 A CB 1.516 20.680 19.000 0.274 0.000 1.285 468 A HN 1.199 nan 8.150 nan 0.000 0.405 469 N N -0.195 118.643 118.700 0.230 0.000 2.284 469 N HA 0.836 5.613 4.740 0.062 0.000 0.289 469 N C -1.030 174.660 175.510 0.300 0.000 1.179 469 N CA -0.381 52.760 53.050 0.151 0.000 0.774 469 N CB 2.471 40.992 38.487 0.056 0.000 1.548 469 N HN 1.115 nan 8.380 nan 0.000 0.473 470 F N -1.871 118.133 119.950 0.089 0.000 2.744 470 F HA 0.514 5.078 4.527 0.062 0.000 0.311 470 F C -2.100 173.808 175.800 0.180 0.000 1.144 470 F CA -1.029 57.022 58.000 0.084 0.000 0.938 470 F CB 1.097 40.109 39.000 0.021 0.000 1.292 470 F HN 0.137 nan 8.300 nan 0.000 0.444 471 D N 0.722 121.286 120.400 0.274 0.000 2.248 471 D HA 0.572 5.249 4.640 0.062 0.000 0.246 471 D C -0.793 175.686 176.300 0.298 0.000 1.027 471 D CA -0.260 53.882 54.000 0.236 0.000 0.853 471 D CB 2.172 43.062 40.800 0.151 0.000 1.243 471 D HN 0.806 nan 8.370 nan 0.000 0.462 472 T N -0.862 113.880 114.554 0.313 0.000 2.963 472 T HA 0.606 4.993 4.350 0.062 0.000 0.328 472 T C 0.793 175.590 174.700 0.162 0.000 1.048 472 T CA -0.166 62.081 62.100 0.245 0.000 1.033 472 T CB 1.048 70.094 68.868 0.297 0.000 1.010 472 T HN 0.564 nan 8.240 nan 0.000 0.469 473 G N 5.313 114.180 108.800 0.111 0.000 2.622 473 G HA2 -0.255 3.743 3.960 0.062 0.000 0.307 473 G HA3 -0.255 3.743 3.960 0.062 0.000 0.307 473 G C -1.109 173.843 174.900 0.087 0.000 1.226 473 G CA 0.144 45.291 45.100 0.078 0.000 0.997 473 G HN 0.725 nan 8.290 nan 0.000 0.551 474 P HA 0.191 nan 4.420 nan 0.000 0.241 474 P C 0.716 178.109 177.300 0.156 0.000 1.191 474 P CA 0.552 63.720 63.100 0.113 0.000 0.771 474 P CB 0.002 31.772 31.700 0.116 0.000 0.929 475 L N 0.119 121.403 121.223 0.101 0.000 2.326 475 L HA 0.325 4.702 4.340 0.062 0.000 0.278 475 L C 0.330 177.217 176.870 0.029 0.000 1.092 475 L CA -0.169 54.696 54.840 0.042 0.000 0.810 475 L CB 0.966 42.952 42.059 -0.122 0.000 1.153 475 L HN -0.248 nan 8.230 nan 0.000 0.439 476 T N 0.947 115.495 114.554 -0.010 0.000 2.797 476 T HA 0.447 4.834 4.350 0.062 0.000 0.279 476 T C -0.740 173.850 174.700 -0.184 0.000 0.991 476 T CA -0.611 61.471 62.100 -0.030 0.000 0.979 476 T CB 0.797 69.687 68.868 0.035 0.000 0.943 476 T HN 0.399 nan 8.240 nan 0.000 0.444 477 H N 0.882 119.773 119.070 -0.300 0.000 2.489 477 H HA 0.573 5.166 4.556 0.062 0.000 0.343 477 H C -0.276 174.788 175.328 -0.439 0.000 1.086 477 H CA -0.476 55.310 56.048 -0.436 0.000 1.198 477 H CB 1.357 30.460 29.762 -1.098 0.000 1.490 477 H HN 0.448 nan 8.280 nan 0.000 0.504 478 T N 3.127 117.565 114.554 -0.193 0.000 2.890 478 T HA 0.419 4.806 4.350 0.062 0.000 0.295 478 T C -0.941 173.618 174.700 -0.235 0.000 0.993 478 T CA -0.611 61.411 62.100 -0.131 0.000 0.979 478 T CB 1.065 69.937 68.868 0.007 0.000 0.967 478 T HN 0.333 nan 8.240 nan 0.000 0.441 479 V N 3.391 123.181 119.914 -0.207 0.000 2.735 479 V HA 0.927 5.084 4.120 0.062 0.000 0.310 479 V C -0.898 175.181 176.094 -0.026 0.000 1.061 479 V CA -0.389 61.759 62.300 -0.252 0.000 0.913 479 V CB 2.154 33.723 31.823 -0.424 0.000 1.005 479 V HN 1.070 nan 8.190 nan 0.000 0.428 480 S N 5.381 121.103 115.700 0.037 0.000 2.564 480 S HA 0.744 5.252 4.470 0.062 0.000 0.274 480 S C -1.542 173.172 174.600 0.190 0.000 1.124 480 S CA -0.621 57.645 58.200 0.109 0.000 0.869 480 S CB 1.886 65.130 63.200 0.073 0.000 1.105 480 S HN 1.185 nan 8.310 nan 0.000 0.472 481 Y N 0.820 121.175 120.300 0.092 0.000 2.442 481 Y HA 0.689 5.277 4.550 0.064 0.000 0.344 481 Y C -1.725 174.253 175.900 0.130 0.000 0.976 481 Y CA -0.583 57.585 58.100 0.114 0.000 1.040 481 Y CB 1.949 40.477 38.460 0.113 0.000 1.228 481 Y HN 0.884 nan 8.280 nan 0.000 0.451 482 D N 3.741 123.706 120.400 -0.726 0.000 2.619 482 D HA 0.259 4.936 4.640 0.062 0.000 0.241 482 D C -2.010 173.861 176.300 -0.715 0.000 1.087 482 D CA -0.278 53.414 54.000 -0.513 0.000 0.851 482 D CB 1.805 42.509 40.800 -0.159 0.000 1.474 482 D HN 0.495 nan 8.370 nan 0.000 0.478 483 Y N 1.817 121.869 120.300 -0.414 0.000 2.364 483 Y HA 0.609 5.199 4.550 0.067 0.000 0.340 483 Y C -1.473 174.366 175.900 -0.101 0.000 0.975 483 Y CA -0.652 57.342 58.100 -0.176 0.000 1.089 483 Y CB 1.207 39.693 38.460 0.044 0.000 1.192 483 Y HN 0.197 nan 8.280 nan 0.000 0.454 484 V N 5.949 125.642 119.914 -0.369 0.000 2.419 484 V HA 0.199 4.356 4.120 0.062 0.000 0.287 484 V C -1.319 174.575 176.094 -0.333 0.000 1.017 484 V CA -0.714 61.463 62.300 -0.204 0.000 0.844 484 V CB 1.400 33.162 31.823 -0.101 0.000 1.011 484 V HN 0.758 nan 8.190 nan 0.000 0.429 485 D N 4.491 124.767 120.400 -0.206 0.000 2.477 485 D HA 0.582 5.260 4.640 0.062 0.000 0.239 485 D C 0.069 176.344 176.300 -0.042 0.000 1.102 485 D CA -0.052 53.869 54.000 -0.132 0.000 0.901 485 D CB 1.344 42.163 40.800 0.031 0.000 1.026 485 D HN 0.679 nan 8.370 nan 0.000 0.515 486 A N 4.448 127.234 122.820 -0.057 0.000 2.249 486 A HA 0.744 5.102 4.320 0.062 0.000 0.314 486 A C 0.069 177.630 177.584 -0.038 0.000 1.290 486 A CA -0.583 51.432 52.037 -0.036 0.000 0.893 486 A CB 0.541 19.501 19.000 -0.067 0.000 1.165 486 A HN 0.559 nan 8.150 nan 0.000 0.530 487 R N 1.601 122.090 120.500 -0.018 0.000 2.808 487 R HA 0.324 4.702 4.340 0.062 0.000 0.272 487 R C -0.694 175.601 176.300 -0.008 0.000 0.995 487 R CA -1.043 55.043 56.100 -0.025 0.000 0.917 487 R CB 1.488 31.776 30.300 -0.019 0.000 1.217 487 R HN 0.807 nan 8.270 nan 0.000 0.471 488 N N 0.965 119.659 118.700 -0.010 0.000 2.452 488 N HA 0.011 4.788 4.740 0.062 0.000 0.266 488 N C 0.382 175.898 175.510 0.010 0.000 1.175 488 N CA 0.248 53.303 53.050 0.009 0.000 0.945 488 N CB 1.666 40.159 38.487 0.010 0.000 1.063 488 N HN 0.733 nan 8.380 nan 0.000 0.472 489 A N 5.199 128.033 122.820 0.023 0.000 2.121 489 A HA -0.071 4.286 4.320 0.062 0.000 0.218 489 A C 1.949 179.545 177.584 0.019 0.000 1.154 489 A CA 0.749 52.801 52.037 0.025 0.000 0.679 489 A CB -0.145 18.880 19.000 0.040 0.000 0.795 489 A HN 0.760 nan 8.150 nan 0.000 0.458 490 I N -0.314 120.268 120.570 0.020 0.000 2.364 490 I HA -0.099 4.109 4.170 0.062 0.000 0.241 490 I C 2.631 178.752 176.117 0.006 0.000 1.082 490 I CA 2.058 63.368 61.300 0.017 0.000 1.401 490 I CB -1.779 36.234 38.000 0.022 0.000 1.126 490 I HN 0.473 nan 8.210 nan 0.000 0.429 491 T N -2.777 111.778 114.554 0.002 0.000 3.067 491 T HA -0.031 4.357 4.350 0.062 0.000 0.257 491 T C 0.916 175.604 174.700 -0.020 0.000 1.105 491 T CA 0.814 62.908 62.100 -0.010 0.000 1.104 491 T CB -0.078 68.781 68.868 -0.014 0.000 0.925 491 T HN 0.271 nan 8.240 nan 0.000 0.498 492 D N 1.207 121.597 120.400 -0.018 0.000 3.077 492 D HA -0.155 4.523 4.640 0.062 0.000 0.212 492 D C 0.031 176.300 176.300 -0.052 0.000 1.125 492 D CA 1.363 55.348 54.000 -0.026 0.000 0.970 492 D CB -1.761 39.026 40.800 -0.022 0.000 1.110 492 D HN 0.816 nan 8.370 nan 0.000 0.419 493 T N -1.832 112.683 114.554 -0.065 0.000 2.817 493 T HA 0.606 4.994 4.350 0.062 0.000 0.293 493 T C -2.450 172.167 174.700 -0.139 0.000 0.964 493 T CA -1.566 60.464 62.100 -0.116 0.000 1.085 493 T CB 1.834 70.635 68.868 -0.113 0.000 0.921 493 T HN -0.150 nan 8.240 nan 0.000 0.502 494 P HA 0.096 nan 4.420 nan 0.000 0.264 494 P C 0.003 177.202 177.300 -0.168 0.000 1.183 494 P CA -0.163 62.805 63.100 -0.221 0.000 0.763 494 P CB 0.326 31.752 31.700 -0.456 0.000 0.807 495 L N 2.717 123.885 121.223 -0.092 0.000 2.436 495 L HA 0.175 4.553 4.340 0.062 0.000 0.265 495 L C 0.676 177.504 176.870 -0.070 0.000 1.168 495 L CA -0.655 54.147 54.840 -0.064 0.000 0.815 495 L CB -0.001 42.021 42.059 -0.061 0.000 1.109 495 L HN 0.212 nan 8.230 nan 0.000 0.462 496 L N 2.415 123.616 121.223 -0.037 0.000 2.399 496 L HA 0.357 4.734 4.340 0.062 0.000 0.266 496 L C 0.946 177.752 176.870 -0.107 0.000 1.114 496 L CA 0.300 55.135 54.840 -0.009 0.000 0.804 496 L CB 0.811 42.895 42.059 0.041 0.000 1.146 496 L HN 0.519 nan 8.230 nan 0.000 0.451 497 R N -0.338 120.119 120.500 -0.073 0.000 3.892 497 R HA -0.189 4.188 4.340 0.062 0.000 0.441 497 R C -0.201 175.916 176.300 -0.306 0.000 1.052 497 R CA 0.510 56.562 56.100 -0.080 0.000 1.190 497 R CB -1.324 29.052 30.300 0.126 0.000 1.808 497 R HN 0.436 nan 8.270 nan 0.000 0.538 498 R N 1.117 121.335 120.500 -0.469 0.000 2.265 498 R HA 0.524 4.901 4.340 0.062 0.000 0.319 498 R C 0.004 176.153 176.300 -0.252 0.000 1.006 498 R CA 0.372 56.158 56.100 -0.523 0.000 0.880 498 R CB 1.327 31.329 30.300 -0.497 0.000 1.077 498 R HN 0.299 nan 8.270 nan 0.000 0.454 499 A N 2.825 125.533 122.820 -0.188 0.000 2.488 499 A HA 0.055 4.412 4.320 0.062 0.000 0.249 499 A C 0.931 178.394 177.584 -0.202 0.000 1.083 499 A CA -0.025 51.899 52.037 -0.189 0.000 0.768 499 A CB 0.282 19.170 19.000 -0.187 0.000 1.017 499 A HN 0.895 nan 8.150 nan 0.000 0.496 500 K N 0.896 121.167 120.400 -0.216 0.000 2.228 500 K HA -0.021 4.336 4.320 0.062 0.000 0.202 500 K C 0.227 176.661 176.600 -0.276 0.000 1.051 500 K CA 1.048 57.165 56.287 -0.283 0.000 0.960 500 K CB 0.009 32.335 32.500 -0.290 0.000 0.743 500 K HN 0.863 nan 8.250 nan 0.000 0.458 501 Q N 0.225 119.937 119.800 -0.147 0.000 2.397 501 Q HA 0.296 4.673 4.340 0.062 0.000 0.275 501 Q C -1.448 174.496 176.000 -0.093 0.000 1.090 501 Q CA -0.730 55.028 55.803 -0.075 0.000 0.809 501 Q CB 2.497 31.348 28.738 0.188 0.000 1.362 501 Q HN 0.048 nan 8.270 nan 0.000 0.431 502 Q N 1.007 120.721 119.800 -0.143 0.000 2.304 502 Q HA 0.601 4.978 4.340 0.062 0.000 0.270 502 Q C -1.311 174.695 176.000 0.009 0.000 1.035 502 Q CA -0.639 55.106 55.803 -0.097 0.000 0.781 502 Q CB 2.892 31.552 28.738 -0.131 0.000 1.261 502 Q HN 0.297 nan 8.270 nan 0.000 0.444 503 V N 2.531 122.531 119.914 0.144 0.000 2.540 503 V HA 0.490 4.647 4.120 0.062 0.000 0.302 503 V C -0.657 175.513 176.094 0.126 0.000 1.035 503 V CA -0.724 61.728 62.300 0.254 0.000 0.873 503 V CB 1.868 33.946 31.823 0.426 0.000 0.992 503 V HN 0.630 nan 8.190 nan 0.000 0.428 504 K N 3.912 124.390 120.400 0.129 0.000 2.471 504 K HA 0.611 4.968 4.320 0.062 0.000 0.252 504 K C -1.917 174.772 176.600 0.148 0.000 0.938 504 K CA -0.801 55.518 56.287 0.053 0.000 0.796 504 K CB 2.530 35.011 32.500 -0.031 0.000 1.161 504 K HN 0.605 nan 8.250 nan 0.000 0.425 505 Y N 1.935 122.276 120.300 0.070 0.000 2.354 505 Y HA 0.240 4.827 4.550 0.062 0.000 0.330 505 Y C -1.130 174.800 175.900 0.049 0.000 1.011 505 Y CA -0.747 57.410 58.100 0.096 0.000 1.099 505 Y CB 2.075 40.617 38.460 0.137 0.000 1.179 505 Y HN 0.527 nan 8.280 nan 0.000 0.442 506 Q N 4.513 124.462 119.800 0.247 0.000 2.337 506 Q HA 0.654 5.031 4.340 0.062 0.000 0.266 506 Q C -2.357 173.826 176.000 0.306 0.000 1.023 506 Q CA -0.735 55.208 55.803 0.233 0.000 0.829 506 Q CB 1.789 30.602 28.738 0.125 0.000 1.306 506 Q HN 0.712 nan 8.270 nan 0.000 0.449 507 L N 3.918 125.328 121.223 0.312 0.000 2.372 507 L HA 0.613 4.990 4.340 0.062 0.000 0.274 507 L C -1.754 175.342 176.870 0.376 0.000 0.988 507 L CA -0.092 54.907 54.840 0.265 0.000 0.833 507 L CB 1.740 43.947 42.059 0.248 0.000 1.236 507 L HN 0.681 nan 8.230 nan 0.000 0.410 508 D N 4.620 125.206 120.400 0.310 0.000 2.481 508 D HA 0.643 5.320 4.640 0.062 0.000 0.244 508 D C -1.381 175.199 176.300 0.466 0.000 1.057 508 D CA 0.270 54.454 54.000 0.307 0.000 0.848 508 D CB 1.945 42.842 40.800 0.163 0.000 1.388 508 D HN 0.566 nan 8.370 nan 0.000 0.475 509 W N 0.262 121.640 121.300 0.129 0.000 3.153 509 W HA 0.491 5.188 4.660 0.061 0.000 0.316 509 W C -2.016 174.622 176.519 0.198 0.000 1.255 509 W CA -0.857 56.558 57.345 0.117 0.000 1.192 509 W CB 0.743 30.245 29.460 0.069 0.000 1.400 509 W HN -0.015 nan 8.180 nan 0.000 0.568 510 Q N 2.763 122.676 119.800 0.189 0.000 2.330 510 Q HA 0.700 5.077 4.340 0.062 0.000 0.269 510 Q C -1.220 174.911 176.000 0.219 0.000 1.022 510 Q CA -0.702 55.158 55.803 0.095 0.000 0.796 510 Q CB 2.492 31.250 28.738 0.033 0.000 1.271 510 Q HN 0.590 nan 8.270 nan 0.000 0.450 511 L N 3.811 125.177 121.223 0.239 0.000 2.482 511 L HA 0.386 4.763 4.340 0.062 0.000 0.269 511 L C -1.094 175.838 176.870 0.104 0.000 0.967 511 L CA -0.654 54.199 54.840 0.021 0.000 0.851 511 L CB 0.991 43.129 42.059 0.132 0.000 1.242 511 L HN 0.876 nan 8.230 nan 0.000 0.404 512 Y N 3.574 124.073 120.300 0.331 0.000 3.389 512 Y HA -0.327 4.260 4.550 0.062 0.000 0.213 512 Y C 1.014 177.124 175.900 0.350 0.000 1.272 512 Y CA 0.636 58.939 58.100 0.338 0.000 1.444 512 Y CB -1.513 37.184 38.460 0.395 0.000 1.445 512 Y HN 0.810 nan 8.280 nan 0.000 0.583 513 D N -3.497 117.040 120.400 0.229 0.000 2.792 513 D HA -0.232 4.445 4.640 0.062 0.000 0.192 513 D C -0.045 176.161 176.300 -0.157 0.000 1.007 513 D CA 1.476 55.438 54.000 -0.063 0.000 1.020 513 D CB -1.218 39.415 40.800 -0.278 0.000 1.089 513 D HN 0.359 nan 8.370 nan 0.000 0.438 514 F N 1.490 121.536 119.950 0.161 0.000 2.427 514 F HA 0.290 4.854 4.527 0.062 0.000 0.352 514 F C 0.956 176.570 175.800 -0.310 0.000 1.100 514 F CA -0.314 57.651 58.000 -0.058 0.000 1.191 514 F CB 0.783 39.736 39.000 -0.078 0.000 1.128 514 F HN -0.254 nan 8.300 nan 0.000 0.533 515 D N 3.869 124.071 120.400 -0.329 0.000 2.349 515 D HA 0.276 4.953 4.640 0.062 0.000 0.232 515 D C -1.470 174.488 176.300 -0.570 0.000 1.071 515 D CA -0.369 53.422 54.000 -0.349 0.000 0.832 515 D CB 0.498 41.160 40.800 -0.230 0.000 1.086 515 D HN 0.276 nan 8.370 nan 0.000 0.504 516 W N 2.438 123.357 121.300 -0.636 0.000 2.570 516 W HA 0.684 5.381 4.660 0.062 0.000 0.337 516 W C 0.529 176.703 176.519 -0.575 0.000 1.067 516 W CA -0.893 55.968 57.345 -0.807 0.000 1.229 516 W CB 2.383 30.736 29.460 -1.846 0.000 1.355 516 W HN 0.519 nan 8.180 nan 0.000 0.555 517 G N 2.666 111.468 108.800 0.004 0.000 2.723 517 G HA2 0.691 4.688 3.960 0.062 0.000 0.295 517 G HA3 0.691 4.688 3.960 0.062 0.000 0.295 517 G C -1.641 173.405 174.900 0.242 0.000 1.464 517 G CA -0.756 44.435 45.100 0.151 0.000 1.012 517 G HN 0.432 nan 8.290 nan 0.000 0.522 518 I N 1.693 122.464 120.570 0.335 0.000 2.377 518 I HA 0.408 4.615 4.170 0.062 0.000 0.293 518 I C -0.034 176.240 176.117 0.260 0.000 0.987 518 I CA -0.475 61.029 61.300 0.340 0.000 1.185 518 I CB 2.323 40.586 38.000 0.439 0.000 1.341 518 I HN 0.256 nan 8.210 nan 0.000 0.455 519 T N 5.185 119.849 114.554 0.184 0.000 2.807 519 T HA 0.394 4.781 4.350 0.062 0.000 0.279 519 T C -1.164 173.543 174.700 0.012 0.000 0.993 519 T CA -0.454 61.680 62.100 0.056 0.000 0.970 519 T CB 1.054 69.869 68.868 -0.088 0.000 0.950 519 T HN 0.337 nan 8.240 nan 0.000 0.441 520 Y N 2.638 122.796 120.300 -0.237 0.000 2.446 520 Y HA 0.605 5.193 4.550 0.063 0.000 0.345 520 Y C -0.535 175.168 175.900 -0.329 0.000 0.984 520 Y CA -0.994 56.768 58.100 -0.565 0.000 1.058 520 Y CB 1.631 39.583 38.460 -0.848 0.000 1.220 520 Y HN 0.621 nan 8.280 nan 0.000 0.455 521 Q N 5.723 124.777 119.800 -1.242 0.000 2.305 521 Q HA 0.319 4.696 4.340 0.062 0.000 0.271 521 Q C -2.465 172.928 176.000 -1.011 0.000 1.046 521 Q CA -0.875 54.416 55.803 -0.853 0.000 0.798 521 Q CB 2.045 30.493 28.738 -0.483 0.000 1.286 521 Q HN 0.803 nan 8.270 nan 0.000 0.435 522 Y N 4.274 124.134 120.300 -0.733 0.000 2.341 522 Y HA 0.550 5.139 4.550 0.064 0.000 0.338 522 Y C -1.925 173.842 175.900 -0.222 0.000 0.965 522 Y CA -0.984 56.883 58.100 -0.388 0.000 1.108 522 Y CB 1.292 39.688 38.460 -0.107 0.000 1.180 522 Y HN 0.622 nan 8.280 nan 0.000 0.458 523 L N 6.263 126.965 121.223 -0.869 0.000 2.343 523 L HA 0.603 4.980 4.340 0.062 0.000 0.278 523 L C 0.553 176.851 176.870 -0.954 0.000 0.996 523 L CA -0.406 54.030 54.840 -0.674 0.000 0.831 523 L CB 1.153 42.960 42.059 -0.419 0.000 1.232 523 L HN 0.889 nan 8.230 nan 0.000 0.413 524 G N 2.007 110.382 108.800 -0.707 0.000 2.489 524 G HA2 0.230 4.227 3.960 0.062 0.000 0.271 524 G HA3 0.230 4.227 3.960 0.062 0.000 0.271 524 G C -0.179 174.549 174.900 -0.286 0.000 1.427 524 G CA -0.285 44.528 45.100 -0.478 0.000 1.057 524 G HN 0.450 nan 8.290 nan 0.000 0.532 525 T N 0.060 114.516 114.554 -0.163 0.000 2.926 525 T HA 0.444 4.832 4.350 0.062 0.000 0.307 525 T C 0.286 174.829 174.700 -0.263 0.000 1.059 525 T CA 0.368 62.356 62.100 -0.187 0.000 1.122 525 T CB 0.135 68.914 68.868 -0.149 0.000 0.972 525 T HN 0.430 nan 8.240 nan 0.000 0.545 526 R N 1.356 121.687 120.500 -0.282 0.000 2.867 526 R HA 0.476 4.854 4.340 0.062 0.000 0.268 526 R C -1.435 174.677 176.300 -0.314 0.000 1.014 526 R CA -0.802 55.145 56.100 -0.254 0.000 0.946 526 R CB 1.532 31.752 30.300 -0.132 0.000 1.208 526 R HN 0.548 nan 8.270 nan 0.000 0.477 527 Y N -0.181 120.064 120.300 -0.092 0.000 2.387 527 Y HA 0.383 4.984 4.550 0.085 0.000 0.336 527 Y C 0.045 175.905 175.900 -0.067 0.000 1.067 527 Y CA -0.222 57.834 58.100 -0.075 0.000 1.114 527 Y CB 1.652 40.065 38.460 -0.078 0.000 1.208 527 Y HN 0.435 nan 8.280 nan 0.000 0.458 528 D N 0.951 121.405 120.400 0.090 0.000 2.579 528 D HA 0.313 4.990 4.640 0.062 0.000 0.257 528 D C -1.329 174.940 176.300 -0.051 0.000 1.176 528 D CA -0.793 53.223 54.000 0.026 0.000 0.914 528 D CB 1.846 42.661 40.800 0.025 0.000 1.431 528 D HN 0.252 nan 8.370 nan 0.000 0.454 529 K N 1.118 121.424 120.400 -0.157 0.000 2.172 529 K HA 0.227 4.584 4.320 0.062 0.000 0.276 529 K C -0.707 175.597 176.600 -0.494 0.000 1.013 529 K CA -0.519 55.516 56.287 -0.419 0.000 0.913 529 K CB 1.172 33.194 32.500 -0.796 0.000 1.055 529 K HN 0.352 nan 8.250 nan 0.000 0.461 530 D N 2.506 122.668 120.400 -0.398 0.000 2.396 530 D HA 0.065 4.742 4.640 0.062 0.000 0.225 530 D C -0.095 176.032 176.300 -0.289 0.000 1.121 530 D CA -0.224 53.631 54.000 -0.241 0.000 0.853 530 D CB 0.272 41.015 40.800 -0.095 0.000 1.043 530 D HN 0.397 nan 8.370 nan 0.000 0.500 531 Y N 1.536 121.775 120.300 -0.102 0.000 2.466 531 Y HA -0.048 4.530 4.550 0.046 0.000 0.272 531 Y C 2.472 178.402 175.900 0.050 0.000 1.169 531 Y CA 0.126 58.070 58.100 -0.259 0.000 1.285 531 Y CB 0.418 38.532 38.460 -0.576 0.000 1.078 531 Y HN 0.411 nan 8.280 nan 0.000 0.523 532 S N -0.372 115.447 115.700 0.198 0.000 2.355 532 S HA -0.115 4.393 4.470 0.062 0.000 0.222 532 S C 1.106 175.847 174.600 0.236 0.000 1.031 532 S CA 0.670 58.983 58.200 0.188 0.000 0.993 532 S CB -0.618 62.651 63.200 0.115 0.000 0.859 532 S HN 0.240 nan 8.310 nan 0.000 0.453 533 S N 0.186 116.021 115.700 0.225 0.000 2.454 533 S HA 0.567 5.074 4.470 0.062 0.000 0.306 533 S C -0.970 173.716 174.600 0.143 0.000 1.100 533 S CA -0.928 57.379 58.200 0.179 0.000 1.087 533 S CB 0.894 64.142 63.200 0.080 0.000 1.019 533 S HN 0.406 nan 8.310 nan 0.000 0.480 534 Y N 4.973 125.202 120.300 -0.118 0.000 2.335 534 Y HA 0.500 5.087 4.550 0.061 0.000 0.331 534 Y C -1.899 173.837 175.900 -0.274 0.000 1.094 534 Y CA -1.586 56.211 58.100 -0.506 0.000 1.253 534 Y CB 0.656 38.840 38.460 -0.460 0.000 1.203 534 Y HN 0.624 nan 8.280 nan 0.000 0.508 535 P HA 0.108 nan 4.420 nan 0.000 0.279 535 P C -1.745 175.161 177.300 -0.656 0.000 1.239 535 P CA -0.168 62.181 63.100 -1.253 0.000 0.789 535 P CB 0.578 31.755 31.700 -0.872 0.000 0.933 536 Y N 0.735 120.871 120.300 -0.274 0.000 2.496 536 Y HA 0.127 4.708 4.550 0.051 0.000 0.334 536 Y C 1.279 177.030 175.900 -0.248 0.000 1.080 536 Y CA -0.007 57.954 58.100 -0.231 0.000 1.355 536 Y CB 0.095 38.387 38.460 -0.280 0.000 1.193 536 Y HN 0.241 nan 8.280 nan 0.000 0.523 537 Q N 1.756 121.513 119.800 -0.072 0.000 2.259 537 Q HA 0.294 4.672 4.340 0.062 0.000 0.246 537 Q C -0.187 175.750 176.000 -0.106 0.000 0.920 537 Q CA -0.314 55.435 55.803 -0.091 0.000 0.895 537 Q CB 1.327 30.025 28.738 -0.068 0.000 1.220 537 Q HN 0.606 nan 8.270 nan 0.000 0.439 538 T N 1.269 115.774 114.554 -0.082 0.000 2.780 538 T HA 0.439 4.826 4.350 0.062 0.000 0.294 538 T C -0.323 174.384 174.700 0.011 0.000 0.949 538 T CA -0.315 61.753 62.100 -0.053 0.000 1.074 538 T CB 0.772 69.602 68.868 -0.063 0.000 0.910 538 T HN 0.225 nan 8.240 nan 0.000 0.501 539 V N 3.684 123.619 119.914 0.035 0.000 2.735 539 V HA 0.509 4.666 4.120 0.062 0.000 0.310 539 V C -0.267 175.861 176.094 0.057 0.000 1.061 539 V CA -0.991 61.329 62.300 0.034 0.000 0.913 539 V CB 2.247 34.063 31.823 -0.012 0.000 1.005 539 V HN 0.745 nan 8.190 nan 0.000 0.428 540 K N 5.188 125.593 120.400 0.008 0.000 2.183 540 K HA 0.617 4.974 4.320 0.062 0.000 0.274 540 K C -0.796 175.744 176.600 -0.099 0.000 1.009 540 K CA -0.498 55.717 56.287 -0.120 0.000 0.888 540 K CB 1.177 33.561 32.500 -0.193 0.000 1.078 540 K HN 0.663 nan 8.250 nan 0.000 0.459 541 M N 2.073 121.600 119.600 -0.121 0.000 2.409 541 M HA 0.293 4.810 4.480 0.062 0.000 0.329 541 M C 0.612 176.864 176.300 -0.080 0.000 1.180 541 M CA -0.627 54.631 55.300 -0.069 0.000 1.053 541 M CB 1.811 34.385 32.600 -0.044 0.000 1.586 541 M HN 0.793 nan 8.290 nan 0.000 0.461 542 G N 0.445 109.224 108.800 -0.034 0.000 2.539 542 G HA2 0.484 4.481 3.960 0.062 0.000 0.258 542 G HA3 0.484 4.481 3.960 0.062 0.000 0.258 542 G C 0.042 174.918 174.900 -0.040 0.000 1.202 542 G CA -0.629 44.461 45.100 -0.016 0.000 0.851 542 G HN 0.864 nan 8.290 nan 0.000 0.556 543 G N -1.528 107.263 108.800 -0.015 0.000 2.594 543 G HA2 0.443 4.440 3.960 0.062 0.000 0.243 543 G HA3 0.443 4.440 3.960 0.062 0.000 0.243 543 G C -0.678 174.177 174.900 -0.076 0.000 1.229 543 G CA -0.149 44.868 45.100 -0.138 0.000 0.843 543 G HN 0.748 nan 8.290 nan 0.000 0.578 544 V N 0.257 119.995 119.914 -0.293 0.000 2.638 544 V HA 0.478 4.636 4.120 0.062 0.000 0.306 544 V C -0.038 175.953 176.094 -0.171 0.000 1.052 544 V CA -0.751 61.429 62.300 -0.201 0.000 0.885 544 V CB 2.026 33.599 31.823 -0.416 0.000 0.999 544 V HN 0.747 nan 8.190 nan 0.000 0.424 545 S N 4.971 120.698 115.700 0.046 0.000 2.451 545 S HA 0.816 5.323 4.470 0.062 0.000 0.301 545 S C -0.695 173.887 174.600 -0.030 0.000 1.116 545 S CA -0.451 57.787 58.200 0.065 0.000 1.093 545 S CB 0.787 64.216 63.200 0.383 0.000 1.017 545 S HN 0.510 nan 8.310 nan 0.000 0.482 546 L N 2.671 123.749 121.223 -0.242 0.000 2.431 546 L HA 0.602 4.979 4.340 0.062 0.000 0.266 546 L C -1.574 175.210 176.870 -0.143 0.000 0.978 546 L CA -0.654 54.136 54.840 -0.083 0.000 0.822 546 L CB 1.844 43.787 42.059 -0.193 0.000 1.310 546 L HN 0.639 nan 8.230 nan 0.000 0.409 547 W N 1.393 122.729 121.300 0.062 0.000 2.632 547 W HA 0.529 5.227 4.660 0.063 0.000 0.328 547 W C -0.609 175.880 176.519 -0.050 0.000 1.044 547 W CA -0.315 57.073 57.345 0.071 0.000 1.225 547 W CB 1.798 31.322 29.460 0.106 0.000 1.396 547 W HN 0.268 nan 8.180 nan 0.000 0.499 548 D N 2.393 122.908 120.400 0.190 0.000 2.527 548 D HA 0.499 5.177 4.640 0.062 0.000 0.233 548 D C -1.586 174.798 176.300 0.140 0.000 1.063 548 D CA -0.758 53.295 54.000 0.088 0.000 0.880 548 D CB 2.899 43.709 40.800 0.017 0.000 1.457 548 D HN 0.199 nan 8.370 nan 0.000 0.475 549 L N 1.047 122.330 121.223 0.099 0.000 2.381 549 L HA 0.701 5.078 4.340 0.062 0.000 0.274 549 L C -1.395 175.566 176.870 0.152 0.000 0.988 549 L CA -0.462 54.477 54.840 0.165 0.000 0.824 549 L CB 1.480 43.633 42.059 0.157 0.000 1.263 549 L HN 0.523 nan 8.230 nan 0.000 0.410 550 A N 4.271 127.193 122.820 0.171 0.000 2.374 550 A HA 0.901 5.258 4.320 0.062 0.000 0.317 550 A C -1.554 176.039 177.584 0.015 0.000 1.094 550 A CA -0.554 51.540 52.037 0.095 0.000 0.765 550 A CB 1.994 21.049 19.000 0.092 0.000 1.268 550 A HN 0.833 nan 8.150 nan 0.000 0.438 551 V N 0.257 120.099 119.914 -0.120 0.000 3.049 551 V HA 0.878 5.035 4.120 0.062 0.000 0.309 551 V C -0.730 175.213 176.094 -0.252 0.000 1.148 551 V CA 0.220 62.269 62.300 -0.419 0.000 0.990 551 V CB 2.078 33.406 31.823 -0.825 0.000 1.039 551 V HN 1.984 nan 8.190 nan 0.000 0.430 552 A N 4.487 127.139 122.820 -0.281 0.000 2.486 552 A HA 0.862 5.219 4.320 0.062 0.000 0.300 552 A C -2.146 175.347 177.584 -0.152 0.000 1.048 552 A CA -0.455 51.486 52.037 -0.161 0.000 0.696 552 A CB 1.703 20.610 19.000 -0.157 0.000 1.278 552 A HN 1.323 nan 8.150 nan 0.000 0.405 553 Y N 3.185 123.315 120.300 -0.283 0.000 2.421 553 Y HA 0.602 5.190 4.550 0.062 0.000 0.339 553 Y C -2.575 173.158 175.900 -0.278 0.000 0.996 553 Y CA -2.123 55.726 58.100 -0.417 0.000 1.046 553 Y CB 3.059 41.152 38.460 -0.611 0.000 1.226 553 Y HN 0.482 nan 8.280 nan 0.000 0.445 554 P HA 0.066 nan 4.420 nan 0.000 0.266 554 P C 0.482 177.505 177.300 -0.463 0.000 1.586 554 P CA 0.260 63.073 63.100 -0.478 0.000 1.088 554 P CB 1.141 32.545 31.700 -0.494 0.000 1.584 555 V N 2.763 122.624 119.914 -0.088 0.000 2.255 555 V HA -0.160 3.997 4.120 0.062 0.000 0.247 555 V C 1.747 177.841 176.094 -0.000 0.000 1.051 555 V CA 2.741 65.096 62.300 0.093 0.000 1.018 555 V CB -0.924 30.969 31.823 0.117 0.000 0.641 555 V HN 0.629 nan 8.190 nan 0.000 0.445 556 T N -3.854 110.674 114.554 -0.044 0.000 2.773 556 T HA 0.343 4.730 4.350 0.062 0.000 0.278 556 T C 1.103 175.700 174.700 -0.172 0.000 1.011 556 T CA 0.163 62.221 62.100 -0.069 0.000 1.014 556 T CB 1.546 70.425 68.868 0.017 0.000 1.293 556 T HN 0.239 nan 8.240 nan 0.000 0.554 557 S N -0.362 115.194 115.700 -0.239 0.000 2.423 557 S HA -0.134 4.374 4.470 0.062 0.000 0.231 557 S C 1.511 175.807 174.600 -0.507 0.000 1.014 557 S CA 1.265 59.237 58.200 -0.379 0.000 0.965 557 S CB -1.033 61.902 63.200 -0.442 0.000 0.785 557 S HN 0.855 nan 8.310 nan 0.000 0.495 558 H N -0.077 118.842 119.070 -0.252 0.000 2.497 558 H HA 0.436 5.030 4.556 0.062 0.000 0.282 558 H C 0.559 175.650 175.328 -0.395 0.000 1.003 558 H CA 0.375 56.146 56.048 -0.462 0.000 1.307 558 H CB 0.222 29.487 29.762 -0.827 0.000 1.437 558 H HN 0.246 nan 8.280 nan 0.000 0.544 559 L N 1.924 123.099 121.223 -0.080 0.000 2.298 559 L HA 0.345 4.723 4.340 0.062 0.000 0.284 559 L C -0.833 176.026 176.870 -0.018 0.000 1.013 559 L CA -0.107 54.754 54.840 0.036 0.000 0.824 559 L CB 1.366 43.514 42.059 0.148 0.000 1.221 559 L HN 0.084 nan 8.230 nan 0.000 0.418 560 T N 3.792 118.337 114.554 -0.015 0.000 2.829 560 T HA 0.514 4.902 4.350 0.062 0.000 0.280 560 T C -0.434 174.278 174.700 0.019 0.000 0.999 560 T CA -0.305 61.772 62.100 -0.039 0.000 0.983 560 T CB 2.334 71.152 68.868 -0.082 0.000 0.968 560 T HN 0.291 nan 8.240 nan 0.000 0.446 561 V N 4.266 124.199 119.914 0.031 0.000 2.555 561 V HA 0.611 4.768 4.120 0.062 0.000 0.302 561 V C -0.214 175.901 176.094 0.035 0.000 1.038 561 V CA -0.783 61.555 62.300 0.064 0.000 0.887 561 V CB 1.869 33.745 31.823 0.088 0.000 0.991 561 V HN 0.726 nan 8.190 nan 0.000 0.434 562 R N 2.377 122.905 120.500 0.046 0.000 2.686 562 R HA 0.783 5.160 4.340 0.062 0.000 0.283 562 R C -0.366 175.964 176.300 0.050 0.000 0.978 562 R CA -0.692 55.418 56.100 0.017 0.000 0.897 562 R CB 2.500 32.802 30.300 0.003 0.000 1.192 562 R HN 0.871 nan 8.270 nan 0.000 0.457 563 G N 0.988 109.808 108.800 0.032 0.000 2.619 563 G HA2 0.578 4.575 3.960 0.062 0.000 0.296 563 G HA3 0.578 4.575 3.960 0.062 0.000 0.296 563 G C -1.640 173.298 174.900 0.063 0.000 1.334 563 G CA -0.514 44.629 45.100 0.073 0.000 0.934 563 G HN 0.416 nan 8.290 nan 0.000 0.476 564 K N 0.285 120.737 120.400 0.087 0.000 2.525 564 K HA 0.596 4.954 4.320 0.062 0.000 0.254 564 K C -1.570 175.058 176.600 0.045 0.000 0.934 564 K CA -0.762 55.561 56.287 0.060 0.000 0.802 564 K CB 1.994 34.510 32.500 0.028 0.000 1.295 564 K HN 0.364 nan 8.250 nan 0.000 0.433 565 I N 3.598 124.166 120.570 -0.003 0.000 2.354 565 I HA 0.400 4.608 4.170 0.062 0.000 0.286 565 I C -0.255 175.782 176.117 -0.133 0.000 1.007 565 I CA -0.767 60.438 61.300 -0.158 0.000 1.167 565 I CB 1.757 39.640 38.000 -0.195 0.000 1.320 565 I HN 0.718 nan 8.210 nan 0.000 0.458 566 A N 4.941 127.668 122.820 -0.155 0.000 2.309 566 A HA 0.464 4.821 4.320 0.062 0.000 0.298 566 A C 0.588 178.109 177.584 -0.105 0.000 1.165 566 A CA -0.295 51.682 52.037 -0.100 0.000 0.821 566 A CB 0.447 19.395 19.000 -0.086 0.000 1.102 566 A HN 0.841 nan 8.150 nan 0.000 0.500 567 N N 0.623 119.299 118.700 -0.041 0.000 2.681 567 N HA -0.151 4.626 4.740 0.062 0.000 0.259 567 N C 0.218 175.687 175.510 -0.069 0.000 1.066 567 N CA 0.754 53.809 53.050 0.007 0.000 0.717 567 N CB -1.265 37.255 38.487 0.054 0.000 0.885 567 N HN 0.805 nan 8.380 nan 0.000 0.547 568 L N 0.431 121.560 121.223 -0.157 0.000 2.051 568 L HA -0.056 4.321 4.340 0.062 0.000 0.214 568 L C 1.510 178.103 176.870 -0.463 0.000 1.076 568 L CA 2.130 56.726 54.840 -0.407 0.000 0.758 568 L CB -0.500 41.177 42.059 -0.636 0.000 0.890 568 L HN 0.483 nan 8.230 nan 0.000 0.433 569 F N -0.806 119.179 119.950 0.057 0.000 2.664 569 F HA 0.133 4.697 4.527 0.061 0.000 0.301 569 F C 1.035 176.871 175.800 0.060 0.000 1.126 569 F CA 0.162 58.183 58.000 0.036 0.000 1.373 569 F CB -0.311 38.707 39.000 0.030 0.000 1.042 569 F HN 0.103 nan 8.300 nan 0.000 0.535 570 D N 1.600 122.090 120.400 0.150 0.000 2.811 570 D HA -0.280 4.397 4.640 0.062 0.000 0.231 570 D C 0.337 176.736 176.300 0.165 0.000 1.157 570 D CA 0.549 54.621 54.000 0.120 0.000 0.716 570 D CB -0.898 39.959 40.800 0.094 0.000 1.077 570 D HN 0.231 nan 8.370 nan 0.000 0.428 571 K N 0.940 121.481 120.400 0.234 0.000 2.436 571 K HA 0.078 4.435 4.320 0.062 0.000 0.282 571 K C -0.636 176.148 176.600 0.308 0.000 1.044 571 K CA 0.062 56.512 56.287 0.273 0.000 1.028 571 K CB 0.433 33.111 32.500 0.297 0.000 0.919 571 K HN 0.047 nan 8.250 nan 0.000 0.474 572 D N 4.152 124.670 120.400 0.197 0.000 2.225 572 D HA 0.213 4.891 4.640 0.062 0.000 0.248 572 D C -0.451 175.942 176.300 0.154 0.000 1.096 572 D CA 0.026 54.072 54.000 0.076 0.000 0.863 572 D CB 0.775 41.584 40.800 0.016 0.000 1.156 572 D HN 0.504 nan 8.370 nan 0.000 0.450 583 G N -0.115 108.677 108.800 -0.013 0.000 2.531 583 G HA2 0.449 4.446 3.960 0.062 0.000 0.253 583 G HA3 0.449 4.446 3.960 0.062 0.000 0.253 583 G C 0.278 175.185 174.900 0.011 0.000 1.439 583 G CA -0.703 44.415 45.100 0.029 0.000 1.056 583 G HN 0.633 nan 8.290 nan 0.000 0.555 584 R N 0.591 121.086 120.500 -0.008 0.000 2.421 584 R HA 0.176 4.553 4.340 0.062 0.000 0.305 584 R C -0.605 175.610 176.300 -0.141 0.000 1.039 584 R CA 0.538 56.577 56.100 -0.102 0.000 1.003 584 R CB -0.001 30.221 30.300 -0.131 0.000 0.959 584 R HN 0.504 nan 8.270 nan 0.000 0.427 585 E N 3.019 123.092 120.200 -0.211 0.000 2.288 585 E HA 0.264 4.652 4.350 0.062 0.000 0.268 585 E C -1.524 174.926 176.600 -0.250 0.000 0.885 585 E CA -0.759 55.556 56.400 -0.142 0.000 0.767 585 E CB 1.757 31.420 29.700 -0.061 0.000 1.220 585 E HN 0.446 nan 8.360 nan 0.000 0.427 586 Y N 0.177 120.481 120.300 0.008 0.000 2.446 586 Y HA 0.515 5.103 4.550 0.063 0.000 0.338 586 Y C 0.450 176.359 175.900 0.016 0.000 1.055 586 Y CA -0.605 57.506 58.100 0.018 0.000 1.101 586 Y CB 2.336 40.817 38.460 0.036 0.000 1.221 586 Y HN 0.418 nan 8.280 nan 0.000 0.460 587 T N 2.826 117.479 114.554 0.166 0.000 2.896 587 T HA 0.715 5.103 4.350 0.062 0.000 0.297 587 T C -2.048 172.752 174.700 0.167 0.000 1.108 587 T CA -0.734 61.448 62.100 0.137 0.000 1.004 587 T CB 1.366 70.226 68.868 -0.015 0.000 1.159 587 T HN 0.680 nan 8.240 nan 0.000 0.499 588 L N 3.207 124.561 121.223 0.219 0.000 2.505 588 L HA 0.708 5.086 4.340 0.062 0.000 0.266 588 L C -0.945 176.113 176.870 0.314 0.000 0.954 588 L CA -0.332 54.652 54.840 0.241 0.000 0.852 588 L CB 1.858 44.070 42.059 0.255 0.000 1.282 588 L HN 1.139 nan 8.230 nan 0.000 0.403 589 S N 2.599 118.433 115.700 0.223 0.000 2.625 589 S HA 0.971 5.478 4.470 0.062 0.000 0.271 589 S C -0.720 173.985 174.600 0.174 0.000 1.161 589 S CA -0.308 57.992 58.200 0.166 0.000 0.820 589 S CB 2.208 65.416 63.200 0.013 0.000 1.137 589 S HN 0.902 nan 8.310 nan 0.000 0.470 590 G N -0.038 108.854 108.800 0.153 0.000 2.696 590 G HA2 0.637 4.634 3.960 0.062 0.000 0.295 590 G HA3 0.637 4.634 3.960 0.062 0.000 0.295 590 G C -1.465 173.498 174.900 0.105 0.000 1.398 590 G CA -0.704 44.483 45.100 0.143 0.000 0.920 590 G HN 0.875 nan 8.290 nan 0.000 0.492 591 S N -0.478 115.276 115.700 0.090 0.000 2.526 591 S HA 0.552 5.060 4.470 0.062 0.000 0.293 591 S C -1.701 172.978 174.600 0.132 0.000 1.092 591 S CA -0.528 57.730 58.200 0.096 0.000 0.980 591 S CB 1.793 65.015 63.200 0.036 0.000 1.048 591 S HN 0.618 nan 8.310 nan 0.000 0.483 592 Y N 1.991 122.309 120.300 0.030 0.000 2.338 592 Y HA 0.431 5.018 4.550 0.062 0.000 0.328 592 Y C -0.255 175.651 175.900 0.011 0.000 0.965 592 Y CA -0.249 57.841 58.100 -0.017 0.000 1.208 592 Y CB 0.880 39.291 38.460 -0.081 0.000 1.132 592 Y HN 0.566 nan 8.280 nan 0.000 0.469 593 T N 7.053 121.419 114.554 -0.313 0.000 2.806 593 T HA 0.300 4.688 4.350 0.062 0.000 0.290 593 T C -0.195 174.330 174.700 -0.292 0.000 0.966 593 T CA -0.050 61.976 62.100 -0.124 0.000 1.060 593 T CB 0.165 68.992 68.868 -0.068 0.000 0.927 593 T HN 0.384 nan 8.240 nan 0.000 0.485 594 F N 0.000 119.900 119.950 -0.083 0.000 2.286 594 F HA 0.000 4.564 4.527 0.062 0.000 0.279 594 F CA 0.000 57.961 58.000 -0.064 0.000 1.383 594 F CB 0.000 39.026 39.000 0.044 0.000 1.145 594 F HN 0.000 nan 8.300 nan 0.000 0.574