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 3l70_1_N DATA FIRST_RESID 3 DATA SEQUENCE TYAQTLQNIP ETNVTTLDNG LRVASEESSQ PTCTVGVWIG AGSRYENEKN DATA SEQUENCE NGAGYFVEHL AFKGTKKRPC AAFEKEVESM GAHFNGYTSR EQTAFYIKAL DATA SEQUENCE SKDMPKVVEL LADVVQNCAL EESQIEKERG VILQELKEMD NDMTNVTFDY DATA SEQUENCE LHATAFQGTA LARTVEGTTE NIKHLTRADL ASYIDTHFKA PRMVLAAAGG DATA SEQUENCE ISHKELVDAA RQHFSGVSFT YKEDAVPILP RCRFTGSEIR ARDDALPVAH DATA SEQUENCE VALAVEGPGW ADPDNVVLHV ANAIIGRYDR TFGGGKHLSS RLAALAVEHK DATA SEQUENCE LCHSFQTFNT SYSDTGLFGF HFVADPLSID DMMFCAQGEW MRLCTSTTES DATA SEQUENCE EVKRAKNHLR SAMVAQLDGT TPVCETIGSH LLNYGRRISL EEWDSRISAV DATA SEQUENCE DARMVRDVCS KYIYDKCPAL AAVGPIEQLL DYNRIRSGMY WI 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.759 174.700 0.099 0.000 1.109 3 T CA 0.000 62.144 62.100 0.073 0.000 1.349 3 T CB 0.000 68.906 68.868 0.063 0.000 0.612 4 Y N 3.317 123.622 120.300 0.009 0.000 2.040 4 Y HA -0.050 4.500 4.550 -0.000 0.000 0.275 4 Y C 2.703 178.610 175.900 0.012 0.000 1.171 4 Y CA 3.379 61.486 58.100 0.011 0.000 1.123 4 Y CB -1.001 37.467 38.460 0.013 0.000 0.963 4 Y HN 0.979 nan 8.280 nan 0.000 0.493 5 A N 0.224 123.011 122.820 -0.055 0.000 1.903 5 A HA -0.359 3.961 4.320 -0.000 0.000 0.219 5 A C 2.108 179.600 177.584 -0.154 0.000 1.191 5 A CA 2.531 54.480 52.037 -0.146 0.000 0.638 5 A CB -0.958 18.040 19.000 -0.004 0.000 0.823 5 A HN 0.755 nan 8.150 nan 0.000 0.451 6 Q N -0.969 118.783 119.800 -0.080 0.000 2.049 6 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 6 Q C 2.327 178.278 176.000 -0.082 0.000 0.971 6 Q CA 1.966 57.731 55.803 -0.064 0.000 0.833 6 Q CB -0.647 28.075 28.738 -0.026 0.000 0.896 6 Q HN 0.884 nan 8.270 nan 0.000 0.434 7 T N 0.313 114.820 114.554 -0.079 0.000 2.778 7 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 7 T C 1.864 176.497 174.700 -0.112 0.000 1.050 7 T CA 1.013 63.071 62.100 -0.070 0.000 1.137 7 T CB -0.397 68.452 68.868 -0.032 0.000 0.860 7 T HN 0.134 nan 8.240 nan 0.000 0.468 8 L N 0.472 121.573 121.223 -0.203 0.000 2.056 8 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 8 L C 3.229 180.024 176.870 -0.125 0.000 1.078 8 L CA 1.625 56.342 54.840 -0.205 0.000 0.749 8 L CB -0.540 41.321 42.059 -0.330 0.000 0.901 8 L HN 0.368 nan 8.230 nan 0.000 0.433 9 Q N -0.191 119.543 119.800 -0.111 0.000 2.046 9 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 9 Q C 1.439 177.402 176.000 -0.062 0.000 0.975 9 Q CA 1.521 57.277 55.803 -0.077 0.000 0.836 9 Q CB -0.175 28.525 28.738 -0.064 0.000 0.896 9 Q HN 0.411 nan 8.270 nan 0.000 0.428 10 N N 0.310 118.976 118.700 -0.056 0.000 2.627 10 N HA 0.034 4.774 4.740 -0.000 0.000 0.196 10 N C -0.535 174.950 175.510 -0.042 0.000 1.268 10 N CA 0.385 53.409 53.050 -0.043 0.000 0.904 10 N CB -0.002 38.465 38.487 -0.034 0.000 1.016 10 N HN 0.206 nan 8.380 nan 0.000 0.448 11 I N 2.310 122.850 120.570 -0.051 0.000 2.396 11 I HA 0.129 4.299 4.170 -0.000 0.000 0.289 11 I C -1.664 174.424 176.117 -0.048 0.000 1.056 11 I CA -1.936 59.336 61.300 -0.047 0.000 1.365 11 I CB 0.598 38.567 38.000 -0.052 0.000 1.407 11 I HN -0.056 nan 8.210 nan 0.000 0.509 12 P HA -0.042 nan 4.420 nan 0.000 0.261 12 P C -0.282 176.982 177.300 -0.058 0.000 1.173 12 P CA 0.186 63.259 63.100 -0.045 0.000 0.760 12 P CB 0.661 32.339 31.700 -0.036 0.000 0.783 13 E N 1.279 121.440 120.200 -0.065 0.000 2.408 13 E HA 0.109 4.459 4.350 -0.000 0.000 0.259 13 E C -0.260 176.282 176.600 -0.097 0.000 1.110 13 E CA -0.119 56.232 56.400 -0.081 0.000 0.929 13 E CB 0.455 30.105 29.700 -0.082 0.000 0.971 13 E HN 0.349 nan 8.360 nan 0.000 0.438 14 T N 3.863 118.352 114.554 -0.109 0.000 2.733 14 T HA 0.235 4.585 4.350 -0.000 0.000 0.294 14 T C -0.471 174.130 174.700 -0.165 0.000 0.956 14 T CA -0.755 61.271 62.100 -0.123 0.000 0.987 14 T CB 0.259 69.059 68.868 -0.115 0.000 0.920 14 T HN 0.325 nan 8.240 nan 0.000 0.470 15 N N 2.686 121.232 118.700 -0.257 0.000 2.472 15 N HA 0.438 5.178 4.740 -0.000 0.000 0.277 15 N C -0.777 174.514 175.510 -0.365 0.000 1.081 15 N CA -0.296 52.463 53.050 -0.484 0.000 0.973 15 N CB 1.740 39.568 38.487 -1.099 0.000 1.105 15 N HN 0.271 nan 8.380 nan 0.000 0.470 16 V N 0.906 120.700 119.914 -0.200 0.000 2.638 16 V HA 0.575 4.695 4.120 -0.000 0.000 0.306 16 V C -0.031 176.112 176.094 0.081 0.000 1.052 16 V CA -0.791 61.511 62.300 0.004 0.000 0.885 16 V CB 1.820 33.637 31.823 -0.010 0.000 0.999 16 V HN 0.862 nan 8.190 nan 0.000 0.424 17 T N -0.158 114.499 114.554 0.170 0.000 2.916 17 T HA 0.660 5.010 4.350 -0.000 0.000 0.305 17 T C -0.565 174.180 174.700 0.075 0.000 1.119 17 T CA -0.699 61.481 62.100 0.133 0.000 1.008 17 T CB 2.013 70.996 68.868 0.191 0.000 1.129 17 T HN 0.546 nan 8.240 nan 0.000 0.480 18 T N 3.308 117.890 114.554 0.046 0.000 2.771 18 T HA 0.547 4.897 4.350 -0.000 0.000 0.281 18 T C 0.271 174.981 174.700 0.017 0.000 0.982 18 T CA -0.854 61.261 62.100 0.025 0.000 0.978 18 T CB 0.679 69.558 68.868 0.019 0.000 0.930 18 T HN 0.582 nan 8.240 nan 0.000 0.447 19 L N 2.792 124.020 121.223 0.008 0.000 2.397 19 L HA 0.211 4.551 4.340 -0.000 0.000 0.271 19 L C 1.208 178.079 176.870 0.001 0.000 1.148 19 L CA -0.683 54.161 54.840 0.008 0.000 0.825 19 L CB 0.522 42.590 42.059 0.015 0.000 1.117 19 L HN 0.697 nan 8.230 nan 0.000 0.456 20 D N 1.349 121.747 120.400 -0.002 0.000 2.315 20 D HA -0.168 4.472 4.640 -0.000 0.000 0.211 20 D C 1.359 177.646 176.300 -0.021 0.000 0.977 20 D CA 1.128 55.121 54.000 -0.010 0.000 0.894 20 D CB -0.066 40.725 40.800 -0.016 0.000 0.910 20 D HN 0.622 nan 8.370 nan 0.000 0.490 21 N N -0.032 118.656 118.700 -0.020 0.000 2.461 21 N HA -0.033 4.707 4.740 -0.000 0.000 0.188 21 N C 1.468 176.965 175.510 -0.021 0.000 1.134 21 N CA 1.070 54.103 53.050 -0.029 0.000 0.878 21 N CB 0.647 39.124 38.487 -0.016 0.000 0.972 21 N HN 0.256 nan 8.380 nan 0.000 0.456 22 G N 0.444 109.235 108.800 -0.015 0.000 2.253 22 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.209 22 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.209 22 G C -0.211 174.676 174.900 -0.022 0.000 0.997 22 G CA 0.050 45.143 45.100 -0.012 0.000 0.640 22 G HN 0.404 nan 8.290 nan 0.000 0.496 23 L N 1.312 122.510 121.223 -0.042 0.000 2.417 23 L HA 0.732 5.072 4.340 -0.000 0.000 0.268 23 L C 0.507 177.346 176.870 -0.052 0.000 1.158 23 L CA -0.632 54.159 54.840 -0.082 0.000 0.819 23 L CB 0.511 42.468 42.059 -0.171 0.000 1.112 23 L HN 0.230 nan 8.230 nan 0.000 0.458 24 R N 3.240 123.712 120.500 -0.048 0.000 2.445 24 R HA 0.594 4.934 4.340 -0.000 0.000 0.308 24 R C -1.384 174.915 176.300 -0.001 0.000 0.961 24 R CA -0.709 55.386 56.100 -0.009 0.000 0.862 24 R CB 2.134 32.438 30.300 0.006 0.000 1.144 24 R HN 0.425 nan 8.270 nan 0.000 0.447 25 V N 2.491 122.429 119.914 0.040 0.000 2.448 25 V HA 0.739 4.859 4.120 -0.000 0.000 0.295 25 V C -0.446 175.746 176.094 0.163 0.000 1.025 25 V CA -0.545 61.798 62.300 0.073 0.000 0.859 25 V CB 1.549 33.396 31.823 0.040 0.000 0.988 25 V HN 0.939 nan 8.190 nan 0.000 0.431 26 A N 4.085 126.982 122.820 0.129 0.000 2.498 26 A HA 1.048 5.368 4.320 -0.000 0.000 0.298 26 A C -0.406 177.235 177.584 0.095 0.000 1.075 26 A CA -0.183 51.917 52.037 0.106 0.000 0.714 26 A CB 2.259 21.265 19.000 0.011 0.000 1.299 26 A HN 1.336 nan 8.150 nan 0.000 0.407 27 S N -0.089 115.644 115.700 0.055 0.000 2.578 27 S HA 0.609 5.079 4.470 -0.000 0.000 0.272 27 S C -1.296 173.292 174.600 -0.019 0.000 1.145 27 S CA -0.583 57.642 58.200 0.042 0.000 0.835 27 S CB 1.401 64.679 63.200 0.130 0.000 1.104 27 S HN 1.080 nan 8.310 nan 0.000 0.458 28 E N 0.542 120.729 120.200 -0.022 0.000 2.220 28 E HA 0.348 4.698 4.350 -0.000 0.000 0.256 28 E C -0.999 175.593 176.600 -0.014 0.000 0.881 28 E CA -0.325 56.052 56.400 -0.038 0.000 0.766 28 E CB 1.337 31.002 29.700 -0.059 0.000 1.187 28 E HN 0.670 nan 8.360 nan 0.000 0.419 29 E N 3.461 123.656 120.200 -0.008 0.000 2.229 29 E HA 0.207 4.557 4.350 -0.000 0.000 0.283 29 E C -0.760 175.838 176.600 -0.004 0.000 1.030 29 E CA -0.249 56.154 56.400 0.004 0.000 0.836 29 E CB 0.903 30.612 29.700 0.015 0.000 1.068 29 E HN 0.549 nan 8.360 nan 0.000 0.401 30 S N 2.317 118.017 115.700 -0.000 0.000 2.759 30 S HA 0.272 4.742 4.470 -0.000 0.000 0.310 30 S C 0.384 174.985 174.600 0.000 0.000 1.123 30 S CA -0.737 57.461 58.200 -0.003 0.000 0.959 30 S CB 1.607 64.805 63.200 -0.003 0.000 1.172 30 S HN 0.327 nan 8.310 nan 0.000 0.539 31 S N -0.049 115.651 115.700 -0.001 0.000 2.679 31 S HA 0.223 4.693 4.470 -0.000 0.000 0.233 31 S C 0.015 174.615 174.600 0.001 0.000 0.951 31 S CA -0.392 57.808 58.200 0.000 0.000 0.973 31 S CB -0.808 62.391 63.200 -0.001 0.000 0.778 31 S HN 0.617 nan 8.310 nan 0.000 0.477 32 Q N 2.096 121.897 119.800 0.002 0.000 2.267 32 Q HA 0.229 4.569 4.340 -0.000 0.000 0.255 32 Q C -1.597 174.403 176.000 0.000 0.000 0.923 32 Q CA -2.175 53.629 55.803 0.002 0.000 0.925 32 Q CB 1.282 30.023 28.738 0.004 0.000 1.195 32 Q HN 0.238 nan 8.270 nan 0.000 0.417 33 P HA -0.132 nan 4.420 nan 0.000 0.222 33 P C 0.463 177.756 177.300 -0.012 0.000 1.147 33 P CA 1.081 64.176 63.100 -0.008 0.000 0.790 33 P CB 0.421 32.116 31.700 -0.009 0.000 0.780 34 T N -0.689 113.860 114.554 -0.009 0.000 2.940 34 T HA 0.556 4.906 4.350 -0.000 0.000 0.288 34 T C -0.441 174.260 174.700 0.002 0.000 1.033 34 T CA -0.539 61.554 62.100 -0.012 0.000 1.033 34 T CB 1.047 69.906 68.868 -0.015 0.000 1.079 34 T HN 0.269 nan 8.240 nan 0.000 0.496 35 C N 1.004 120.307 119.300 0.006 0.000 3.336 35 C HA 0.924 5.384 4.460 -0.000 0.000 0.339 35 C C -0.816 174.205 174.990 0.053 0.000 1.468 35 C CA -0.612 58.422 59.018 0.027 0.000 1.287 35 C CB 1.105 28.860 27.740 0.025 0.000 1.682 35 C HN 0.825 nan 8.230 nan 0.000 0.451 36 T N 1.472 116.076 114.554 0.084 0.000 2.928 36 T HA 0.688 5.038 4.350 -0.000 0.000 0.296 36 T C -0.618 174.188 174.700 0.177 0.000 1.000 36 T CA -0.298 61.891 62.100 0.148 0.000 0.989 36 T CB 1.282 70.256 68.868 0.177 0.000 1.005 36 T HN 1.924 nan 8.240 nan 0.000 0.442 37 V N 0.356 120.390 119.914 0.201 0.000 2.841 37 V HA 1.111 5.231 4.120 -0.000 0.000 0.310 37 V C -0.265 175.996 176.094 0.278 0.000 1.090 37 V CA -0.469 61.967 62.300 0.228 0.000 0.930 37 V CB 1.643 33.550 31.823 0.140 0.000 1.014 37 V HN 1.179 nan 8.190 nan 0.000 0.425 38 G N 0.843 109.860 108.800 0.361 0.000 2.506 38 G HA2 0.589 4.549 3.960 -0.000 0.000 0.292 38 G HA3 0.589 4.549 3.960 -0.000 0.000 0.292 38 G C -1.821 173.216 174.900 0.227 0.000 1.425 38 G CA -0.076 45.161 45.100 0.229 0.000 0.788 38 G HN 1.695 nan 8.290 nan 0.000 0.490 39 V N 0.977 120.911 119.914 0.034 0.000 2.417 39 V HA 0.720 4.840 4.120 -0.000 0.000 0.291 39 V C -0.981 175.031 176.094 -0.137 0.000 1.024 39 V CA -0.969 61.369 62.300 0.063 0.000 0.861 39 V CB 1.152 32.991 31.823 0.027 0.000 0.985 39 V HN 0.635 nan 8.190 nan 0.000 0.436 40 W N 7.586 128.878 121.300 -0.014 0.000 2.314 40 W HA 0.542 5.202 4.660 -0.000 0.000 0.310 40 W C -0.515 175.967 176.519 -0.061 0.000 1.075 40 W CA -0.541 56.776 57.345 -0.047 0.000 1.253 40 W CB 1.692 31.136 29.460 -0.026 0.000 1.238 40 W HN 0.468 nan 8.180 nan 0.000 0.440 41 I N 2.344 122.916 120.570 0.003 0.000 2.412 41 I HA 0.286 4.456 4.170 -0.000 0.000 0.296 41 I C 1.156 177.293 176.117 0.034 0.000 0.987 41 I CA -0.642 60.663 61.300 0.008 0.000 1.180 41 I CB 1.465 39.439 38.000 -0.043 0.000 1.340 41 I HN 0.450 nan 8.210 nan 0.000 0.455 42 G N 5.135 113.945 108.800 0.017 0.000 3.102 42 G HA2 0.528 4.488 3.960 -0.000 0.000 0.264 42 G HA3 0.528 4.488 3.960 -0.000 0.000 0.264 42 G C -0.043 174.661 174.900 -0.327 0.000 0.788 42 G CA -0.004 45.092 45.100 -0.007 0.000 2.029 42 G HN 0.748 nan 8.290 nan 0.000 0.608 43 A N 0.027 122.665 122.820 -0.303 0.000 2.587 43 A HA 1.046 5.366 4.320 -0.000 0.000 0.293 43 A C 0.080 177.605 177.584 -0.098 0.000 1.087 43 A CA -0.121 51.534 52.037 -0.638 0.000 0.692 43 A CB 1.783 20.587 19.000 -0.326 0.000 1.291 43 A HN 1.718 nan 8.150 nan 0.000 0.407 44 G N -1.039 107.797 108.800 0.059 0.000 2.321 44 G HA2 0.535 4.495 3.960 -0.000 0.000 0.296 44 G HA3 0.535 4.495 3.960 -0.000 0.000 0.296 44 G C 0.704 175.761 174.900 0.261 0.000 1.287 44 G CA 0.759 46.002 45.100 0.238 0.000 0.846 44 G HN 1.866 nan 8.290 nan 0.000 0.508 45 S N -0.530 115.266 115.700 0.161 0.000 2.440 45 S HA -0.171 4.299 4.470 -0.000 0.000 0.238 45 S C 2.009 176.654 174.600 0.075 0.000 1.010 45 S CA 1.740 59.999 58.200 0.100 0.000 0.972 45 S CB -0.200 63.017 63.200 0.028 0.000 0.774 45 S HN 0.719 nan 8.310 nan 0.000 0.501 46 R N -0.200 120.336 120.500 0.060 0.000 2.148 46 R HA -0.030 4.310 4.340 -0.000 0.000 0.227 46 R C 1.360 177.594 176.300 -0.110 0.000 1.103 46 R CA 1.215 57.263 56.100 -0.088 0.000 0.983 46 R CB -0.288 29.873 30.300 -0.231 0.000 0.874 46 R HN 0.563 nan 8.270 nan 0.000 0.451 47 Y N 0.814 121.085 120.300 -0.049 0.000 2.519 47 Y HA 0.096 4.646 4.550 -0.000 0.000 0.287 47 Y C 0.509 176.409 175.900 0.001 0.000 1.128 47 Y CA 0.235 58.295 58.100 -0.067 0.000 1.282 47 Y CB 0.070 38.359 38.460 -0.286 0.000 1.027 47 Y HN 0.083 nan 8.280 nan 0.000 0.551 48 E N 1.227 121.539 120.200 0.187 0.000 2.397 48 E HA 0.056 4.405 4.350 -0.000 0.000 0.254 48 E C 0.092 176.763 176.600 0.119 0.000 1.231 48 E CA -0.337 56.176 56.400 0.188 0.000 0.954 48 E CB 0.358 30.152 29.700 0.157 0.000 1.024 48 E HN 0.251 nan 8.360 nan 0.000 0.481 49 N N -0.027 118.740 118.700 0.111 0.000 2.890 49 N HA -0.000 4.740 4.740 -0.000 0.000 0.317 49 N C 0.527 176.074 175.510 0.061 0.000 1.355 49 N CA -0.519 52.576 53.050 0.074 0.000 0.803 49 N CB 1.147 39.678 38.487 0.074 0.000 1.465 49 N HN 0.522 nan 8.380 nan 0.000 0.591 50 E N 0.143 120.371 120.200 0.047 0.000 2.204 50 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 50 E C 0.690 177.318 176.600 0.046 0.000 0.990 50 E CA 1.238 57.663 56.400 0.042 0.000 0.821 50 E CB 0.152 29.873 29.700 0.034 0.000 0.750 50 E HN 0.539 nan 8.360 nan 0.000 0.477 51 K N 0.083 120.513 120.400 0.049 0.000 2.334 51 K HA -0.007 4.313 4.320 -0.000 0.000 0.195 51 K C 1.360 177.993 176.600 0.055 0.000 1.045 51 K CA 0.762 57.079 56.287 0.049 0.000 1.004 51 K CB 0.223 32.746 32.500 0.039 0.000 0.837 51 K HN 0.069 nan 8.250 nan 0.000 0.510 52 N N 0.195 118.936 118.700 0.068 0.000 2.203 52 N HA -0.075 4.665 4.740 -0.000 0.000 0.207 52 N C -0.464 175.085 175.510 0.066 0.000 1.130 52 N CA -0.170 52.923 53.050 0.072 0.000 0.861 52 N CB -0.424 38.132 38.487 0.115 0.000 1.005 52 N HN 0.052 nan 8.380 nan 0.000 0.507 53 N N 0.574 119.312 118.700 0.063 0.000 2.365 53 N HA 0.107 4.847 4.740 -0.000 0.000 0.265 53 N C 0.715 176.250 175.510 0.041 0.000 1.288 53 N CA 1.305 54.385 53.050 0.050 0.000 0.869 53 N CB 0.001 38.513 38.487 0.041 0.000 1.071 53 N HN 0.480 nan 8.380 nan 0.000 0.480 54 G N 1.989 110.805 108.800 0.028 0.000 2.213 54 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.226 54 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.226 54 G C 0.847 175.787 174.900 0.067 0.000 0.992 54 G CA 0.433 45.569 45.100 0.061 0.000 0.632 54 G HN 0.839 nan 8.290 nan 0.000 0.511 55 A N 0.748 123.529 122.820 -0.066 0.000 1.851 55 A HA 0.286 4.606 4.320 -0.000 0.000 0.216 55 A C 2.889 180.169 177.584 -0.507 0.000 1.195 55 A CA 2.628 54.522 52.037 -0.237 0.000 0.622 55 A CB -1.266 17.554 19.000 -0.299 0.000 0.831 55 A HN 1.680 nan 8.150 nan 0.000 0.444 56 G N -2.186 106.057 108.800 -0.929 0.000 2.485 56 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.221 56 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.221 56 G C 1.523 176.357 174.900 -0.110 0.000 1.115 56 G CA 1.440 46.059 45.100 -0.802 0.000 0.751 56 G HN 0.590 nan 8.290 nan 0.000 0.567 57 Y N -0.222 120.000 120.300 -0.131 0.000 2.314 57 Y HA 0.226 4.776 4.550 -0.000 0.000 0.294 57 Y C 2.229 178.139 175.900 0.017 0.000 1.119 57 Y CA 0.393 58.479 58.100 -0.023 0.000 1.179 57 Y CB -0.294 38.137 38.460 -0.048 0.000 1.025 57 Y HN 0.192 nan 8.280 nan 0.000 0.541 58 F N -1.018 118.837 119.950 -0.159 0.000 2.186 58 F HA -0.197 4.330 4.527 0.000 0.000 0.299 58 F C 2.152 177.854 175.800 -0.163 0.000 1.090 58 F CA 1.118 58.980 58.000 -0.230 0.000 1.307 58 F CB -0.083 38.814 39.000 -0.172 0.000 1.019 58 F HN -0.167 nan 8.300 nan 0.000 0.489 59 V N -0.102 119.869 119.914 0.096 0.000 2.759 59 V HA -0.253 3.867 4.120 -0.000 0.000 0.256 59 V C 2.160 178.305 176.094 0.085 0.000 1.080 59 V CA 1.922 64.259 62.300 0.062 0.000 1.101 59 V CB -0.411 31.422 31.823 0.015 0.000 0.698 59 V HN 0.367 nan 8.190 nan 0.000 0.477 60 E N -0.875 119.361 120.200 0.059 0.000 2.152 60 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 60 E C 2.036 178.555 176.600 -0.135 0.000 0.983 60 E CA 0.763 57.167 56.400 0.007 0.000 0.818 60 E CB -0.049 29.611 29.700 -0.067 0.000 0.758 60 E HN 0.720 nan 8.360 nan 0.000 0.467 61 H N -0.392 118.521 119.070 -0.261 0.000 2.495 61 H HA 0.005 4.561 4.556 -0.000 0.000 0.287 61 H C 1.996 177.243 175.328 -0.136 0.000 1.033 61 H CA 0.726 56.635 56.048 -0.231 0.000 1.307 61 H CB 0.508 30.087 29.762 -0.305 0.000 1.401 61 H HN 0.210 nan 8.280 nan 0.000 0.555 62 L N -0.527 120.696 121.223 -0.000 0.000 2.357 62 L HA 0.134 4.474 4.340 -0.000 0.000 0.211 62 L C 2.822 179.575 176.870 -0.195 0.000 1.075 62 L CA 0.414 55.228 54.840 -0.042 0.000 0.830 62 L CB -0.215 41.852 42.059 0.012 0.000 0.996 62 L HN 0.115 nan 8.230 nan 0.000 0.467 63 A N 0.768 123.386 122.820 -0.337 0.000 2.023 63 A HA -0.266 4.054 4.320 -0.000 0.000 0.223 63 A C 1.916 179.084 177.584 -0.692 0.000 1.180 63 A CA 2.079 53.727 52.037 -0.648 0.000 0.659 63 A CB -0.844 17.567 19.000 -0.982 0.000 0.817 63 A HN 0.493 nan 8.150 nan 0.000 0.466 64 F N -1.555 118.220 119.950 -0.292 0.000 2.720 64 F HA 0.134 4.661 4.527 0.000 0.000 0.301 64 F C 1.112 176.837 175.800 -0.125 0.000 1.103 64 F CA -0.181 57.668 58.000 -0.250 0.000 1.291 64 F CB 0.454 39.341 39.000 -0.188 0.000 1.086 64 F HN -0.100 nan 8.300 nan 0.000 0.592 65 K N 1.639 122.050 120.400 0.018 0.000 2.836 65 K HA 0.290 4.610 4.320 -0.000 0.000 0.236 65 K C 0.591 177.176 176.600 -0.025 0.000 1.015 65 K CA 0.275 56.583 56.287 0.035 0.000 1.194 65 K CB -0.805 31.709 32.500 0.024 0.000 1.002 65 K HN 0.310 nan 8.250 nan 0.000 0.479 66 G N 0.711 109.419 108.800 -0.154 0.000 2.675 66 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 66 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 66 G C -0.133 174.615 174.900 -0.253 0.000 1.215 66 G CA -0.401 44.578 45.100 -0.201 0.000 0.777 66 G HN 0.272 nan 8.290 nan 0.000 0.638 67 T N -1.503 112.911 114.554 -0.232 0.000 2.870 67 T HA 0.703 5.053 4.350 -0.000 0.000 0.277 67 T C 1.399 176.057 174.700 -0.072 0.000 1.000 67 T CA 0.151 62.153 62.100 -0.164 0.000 0.982 67 T CB 1.852 70.621 68.868 -0.165 0.000 1.249 67 T HN 0.629 nan 8.240 nan 0.000 0.589 68 K N -0.129 120.240 120.400 -0.051 0.000 2.103 68 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 68 K C 2.307 178.902 176.600 -0.008 0.000 1.052 68 K CA 0.747 57.019 56.287 -0.025 0.000 0.945 68 K CB -0.117 32.370 32.500 -0.021 0.000 0.722 68 K HN 0.539 nan 8.250 nan 0.000 0.443 69 K N 1.421 121.818 120.400 -0.004 0.000 2.209 69 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 69 K C 0.022 176.640 176.600 0.030 0.000 1.048 69 K CA 0.865 57.160 56.287 0.013 0.000 0.940 69 K CB 0.266 32.776 32.500 0.017 0.000 0.729 69 K HN 0.086 nan 8.250 nan 0.000 0.451 70 R N 0.266 120.791 120.500 0.041 0.000 2.659 70 R HA 0.284 4.624 4.340 -0.000 0.000 0.290 70 R C -3.058 173.292 176.300 0.083 0.000 1.253 70 R CA -1.620 54.525 56.100 0.076 0.000 1.010 70 R CB 1.140 31.516 30.300 0.127 0.000 1.236 70 R HN -0.155 nan 8.270 nan 0.000 0.413 71 P HA -0.133 nan 4.420 nan 0.000 0.272 71 P C 0.827 178.188 177.300 0.102 0.000 1.243 71 P CA -0.306 62.826 63.100 0.054 0.000 0.803 71 P CB 0.708 32.432 31.700 0.040 0.000 0.974 72 C N 1.402 120.752 119.300 0.083 0.000 2.323 72 C HA -0.287 4.173 4.460 -0.000 0.000 0.276 72 C C 3.023 178.099 174.990 0.143 0.000 1.151 72 C CA 3.116 62.205 59.018 0.118 0.000 1.789 72 C CB -1.922 25.863 27.740 0.074 0.000 1.921 72 C HN 0.712 nan 8.230 nan 0.000 0.417 73 A N 0.202 123.075 122.820 0.088 0.000 1.915 73 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 73 A C 2.434 180.058 177.584 0.068 0.000 1.198 73 A CA 3.611 55.687 52.037 0.066 0.000 0.647 73 A CB -1.433 17.592 19.000 0.042 0.000 0.825 73 A HN 1.153 nan 8.150 nan 0.000 0.456 74 A N -1.531 121.338 122.820 0.082 0.000 1.858 74 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 74 A C 2.082 179.719 177.584 0.088 0.000 1.190 74 A CA 1.754 53.834 52.037 0.072 0.000 0.617 74 A CB -0.797 18.250 19.000 0.078 0.000 0.827 74 A HN 0.761 nan 8.150 nan 0.000 0.443 75 F N 1.053 121.016 119.950 0.021 0.000 2.069 75 F HA -0.201 4.326 4.527 0.000 0.000 0.298 75 F C 2.279 178.102 175.800 0.039 0.000 1.113 75 F CA 2.334 60.356 58.000 0.037 0.000 1.214 75 F CB -0.458 38.577 39.000 0.059 0.000 0.978 75 F HN 0.390 nan 8.300 nan 0.000 0.474 76 E N 0.075 120.271 120.200 -0.007 0.000 2.038 76 E HA -0.298 4.052 4.350 -0.000 0.000 0.195 76 E C 2.248 178.760 176.600 -0.147 0.000 1.000 76 E CA 1.569 57.905 56.400 -0.106 0.000 0.803 76 E CB -0.384 29.331 29.700 0.025 0.000 0.750 76 E HN 0.394 nan 8.360 nan 0.000 0.448 77 K N 1.181 121.536 120.400 -0.076 0.000 2.152 77 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 77 K C 2.093 178.630 176.600 -0.105 0.000 1.048 77 K CA 1.605 57.850 56.287 -0.069 0.000 0.933 77 K CB 0.018 32.499 32.500 -0.031 0.000 0.721 77 K HN 0.070 nan 8.250 nan 0.000 0.447 78 E N -0.140 119.972 120.200 -0.145 0.000 2.107 78 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 78 E C 1.710 178.182 176.600 -0.214 0.000 0.982 78 E CA 0.937 57.242 56.400 -0.159 0.000 0.809 78 E CB 0.261 29.873 29.700 -0.146 0.000 0.756 78 E HN 0.152 nan 8.360 nan 0.000 0.459 79 V N 1.139 120.860 119.914 -0.322 0.000 2.302 79 V HA -0.174 3.946 4.120 -0.000 0.000 0.243 79 V C 2.088 178.073 176.094 -0.182 0.000 1.036 79 V CA 1.847 63.964 62.300 -0.305 0.000 1.020 79 V CB -0.539 31.034 31.823 -0.418 0.000 0.657 79 V HN 0.242 nan 8.190 nan 0.000 0.453 80 E N 1.273 121.384 120.200 -0.149 0.000 2.033 80 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 80 E C 2.275 178.831 176.600 -0.073 0.000 1.011 80 E CA 2.008 58.358 56.400 -0.083 0.000 0.815 80 E CB -0.365 29.296 29.700 -0.065 0.000 0.755 80 E HN 0.710 nan 8.360 nan 0.000 0.451 81 S N 0.911 116.565 115.700 -0.078 0.000 2.493 81 S HA -0.175 4.295 4.470 -0.000 0.000 0.243 81 S C 1.852 176.411 174.600 -0.069 0.000 0.991 81 S CA 1.369 59.530 58.200 -0.064 0.000 0.957 81 S CB -0.525 62.640 63.200 -0.059 0.000 0.756 81 S HN 0.364 nan 8.310 nan 0.000 0.521 82 M N -1.349 118.198 119.600 -0.089 0.000 2.356 82 M HA 0.560 5.040 4.480 -0.000 0.000 0.262 82 M C 1.228 177.469 176.300 -0.098 0.000 1.097 82 M CA 0.257 55.503 55.300 -0.090 0.000 0.991 82 M CB 0.010 32.547 32.600 -0.105 0.000 1.450 82 M HN 0.258 nan 8.290 nan 0.000 0.495 83 G N 1.521 110.266 108.800 -0.093 0.000 2.168 83 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.257 83 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.257 83 G C 0.153 174.940 174.900 -0.187 0.000 0.997 83 G CA 0.268 45.303 45.100 -0.109 0.000 0.708 83 G HN 0.956 nan 8.290 nan 0.000 0.520 84 A N -0.233 122.492 122.820 -0.158 0.000 2.316 84 A HA 0.718 5.038 4.320 -0.000 0.000 0.284 84 A C 0.028 177.571 177.584 -0.068 0.000 1.115 84 A CA -0.326 51.603 52.037 -0.181 0.000 0.812 84 A CB 0.476 19.369 19.000 -0.178 0.000 1.064 84 A HN 0.586 nan 8.150 nan 0.000 0.489 85 H N 0.728 119.753 119.070 -0.074 0.000 2.504 85 H HA 0.392 4.948 4.556 -0.000 0.000 0.322 85 H C -1.497 173.800 175.328 -0.052 0.000 1.055 85 H CA -0.414 55.602 56.048 -0.053 0.000 1.231 85 H CB 1.322 31.080 29.762 -0.007 0.000 1.417 85 H HN 0.537 nan 8.280 nan 0.000 0.472 86 F N 3.464 123.311 119.950 -0.170 0.000 2.388 86 F HA 0.330 4.857 4.527 -0.000 0.000 0.358 86 F C -0.397 175.069 175.800 -0.556 0.000 1.122 86 F CA -0.941 56.837 58.000 -0.370 0.000 1.056 86 F CB 0.793 39.487 39.000 -0.511 0.000 1.155 86 F HN 0.590 nan 8.300 nan 0.000 0.461 87 N N 2.164 120.821 118.700 -0.072 0.000 2.647 87 N HA 0.821 5.561 4.740 -0.000 0.000 0.266 87 N C -0.926 174.345 175.510 -0.399 0.000 1.373 87 N CA -0.143 52.711 53.050 -0.327 0.000 0.807 87 N CB 2.329 40.613 38.487 -0.338 0.000 1.513 87 N HN 0.828 nan 8.380 nan 0.000 0.505 88 G N -0.789 107.914 108.800 -0.161 0.000 2.349 88 G HA2 0.457 4.417 3.960 -0.000 0.000 0.294 88 G HA3 0.457 4.417 3.960 -0.000 0.000 0.294 88 G C -2.236 172.624 174.900 -0.065 0.000 1.380 88 G CA -0.291 44.684 45.100 -0.209 0.000 0.811 88 G HN 0.786 nan 8.290 nan 0.000 0.519 89 Y N -2.672 117.479 120.300 -0.248 0.000 2.853 89 Y HA 0.875 5.425 4.550 -0.000 0.000 0.326 89 Y C -0.629 175.162 175.900 -0.181 0.000 1.384 89 Y CA -0.889 57.136 58.100 -0.126 0.000 1.077 89 Y CB 1.549 40.021 38.460 0.020 0.000 1.395 89 Y HN 1.076 nan 8.280 nan 0.000 0.451 90 T N 1.132 115.850 114.554 0.275 0.000 3.172 90 T HA 0.609 4.959 4.350 -0.000 0.000 0.320 90 T C -1.018 173.856 174.700 0.289 0.000 1.085 90 T CA 0.121 62.340 62.100 0.199 0.000 1.052 90 T CB 0.637 69.587 68.868 0.136 0.000 1.107 90 T HN 1.405 nan 8.240 nan 0.000 0.458 91 S N 4.394 120.269 115.700 0.293 0.000 2.786 91 S HA 0.581 5.051 4.470 -0.000 0.000 0.302 91 S C 1.274 175.977 174.600 0.171 0.000 1.080 91 S CA -1.010 57.319 58.200 0.216 0.000 0.925 91 S CB 1.143 64.504 63.200 0.268 0.000 1.325 91 S HN 0.738 nan 8.310 nan 0.000 0.576 92 R N 0.433 121.016 120.500 0.138 0.000 2.092 92 R HA 0.104 4.444 4.340 -0.000 0.000 0.231 92 R C 1.236 177.612 176.300 0.125 0.000 1.119 92 R CA 1.523 57.657 56.100 0.056 0.000 0.970 92 R CB -0.185 30.052 30.300 -0.105 0.000 0.864 92 R HN 0.701 nan 8.270 nan 0.000 0.440 93 E N -0.718 119.619 120.200 0.229 0.000 2.601 93 E HA 0.077 4.427 4.350 -0.000 0.000 0.219 93 E C -0.459 176.352 176.600 0.352 0.000 0.964 93 E CA -0.096 56.510 56.400 0.343 0.000 1.050 93 E CB 1.076 30.975 29.700 0.331 0.000 1.068 93 E HN 0.100 nan 8.360 nan 0.000 0.496 94 Q N 0.510 120.492 119.800 0.304 0.000 2.320 94 Q HA 0.308 4.648 4.340 -0.000 0.000 0.272 94 Q C -1.503 174.617 176.000 0.200 0.000 1.023 94 Q CA -0.368 55.594 55.803 0.265 0.000 0.855 94 Q CB 2.243 31.190 28.738 0.349 0.000 1.367 94 Q HN -0.083 nan 8.270 nan 0.000 0.406 95 T N 1.230 115.795 114.554 0.018 0.000 2.907 95 T HA 0.958 5.308 4.350 -0.000 0.000 0.292 95 T C -1.404 172.934 174.700 -0.604 0.000 1.043 95 T CA -0.380 61.569 62.100 -0.252 0.000 1.003 95 T CB 1.715 70.528 68.868 -0.090 0.000 1.084 95 T HN 0.720 nan 8.240 nan 0.000 0.483 96 A N 1.637 123.772 122.820 -1.142 0.000 2.589 96 A HA 0.821 5.141 4.320 -0.000 0.000 0.296 96 A C -2.111 174.743 177.584 -1.216 0.000 1.062 96 A CA -0.793 50.506 52.037 -1.230 0.000 0.686 96 A CB 1.120 19.137 19.000 -1.638 0.000 1.282 96 A HN 0.673 nan 8.150 nan 0.000 0.404 97 F N 1.237 120.914 119.950 -0.456 0.000 2.562 97 F HA 0.638 5.165 4.527 -0.000 0.000 0.319 97 F C -0.422 175.385 175.800 0.011 0.000 1.154 97 F CA -0.327 57.601 58.000 -0.120 0.000 0.931 97 F CB 1.932 40.913 39.000 -0.031 0.000 1.198 97 F HN 0.700 nan 8.300 nan 0.000 0.444 98 Y N 0.846 121.300 120.300 0.257 0.000 2.615 98 Y HA 0.905 5.455 4.550 -0.000 0.000 0.341 98 Y C -1.614 174.401 175.900 0.191 0.000 1.089 98 Y CA -1.840 56.329 58.100 0.115 0.000 1.049 98 Y CB 1.605 40.042 38.460 -0.038 0.000 1.296 98 Y HN 0.407 nan 8.280 nan 0.000 0.470 99 I N 1.876 122.541 120.570 0.158 0.000 2.647 99 I HA 0.413 4.583 4.170 -0.000 0.000 0.295 99 I C -1.134 175.047 176.117 0.107 0.000 1.078 99 I CA -1.175 60.111 61.300 -0.023 0.000 1.048 99 I CB 2.560 40.351 38.000 -0.349 0.000 1.239 99 I HN 0.590 nan 8.210 nan 0.000 0.421 100 K N 4.810 125.263 120.400 0.087 0.000 2.339 100 K HA 0.820 5.140 4.320 -0.000 0.000 0.264 100 K C -0.808 175.748 176.600 -0.073 0.000 0.986 100 K CA -0.302 56.024 56.287 0.066 0.000 0.866 100 K CB 2.164 34.747 32.500 0.137 0.000 1.103 100 K HN 0.722 nan 8.250 nan 0.000 0.441 101 A N 2.940 125.719 122.820 -0.068 0.000 2.529 101 A HA 0.582 4.902 4.320 -0.000 0.000 0.296 101 A C -1.360 176.181 177.584 -0.071 0.000 1.205 101 A CA -0.878 51.096 52.037 -0.106 0.000 0.671 101 A CB 0.632 19.565 19.000 -0.110 0.000 1.301 101 A HN 0.559 nan 8.150 nan 0.000 0.450 102 L N 0.885 122.065 121.223 -0.071 0.000 2.397 102 L HA 0.254 4.594 4.340 -0.000 0.000 0.271 102 L C 1.511 178.360 176.870 -0.034 0.000 1.148 102 L CA -0.350 54.461 54.840 -0.049 0.000 0.825 102 L CB 1.001 43.031 42.059 -0.050 0.000 1.117 102 L HN 0.810 nan 8.230 nan 0.000 0.456 103 S N 0.901 116.589 115.700 -0.020 0.000 2.402 103 S HA -0.228 4.242 4.470 -0.000 0.000 0.233 103 S C 1.839 176.430 174.600 -0.015 0.000 1.030 103 S CA 1.534 59.727 58.200 -0.010 0.000 1.003 103 S CB -0.247 62.951 63.200 -0.003 0.000 0.813 103 S HN 0.678 nan 8.310 nan 0.000 0.477 104 K N 1.213 121.601 120.400 -0.020 0.000 2.113 104 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 104 K C 0.565 177.148 176.600 -0.028 0.000 1.047 104 K CA 1.805 58.079 56.287 -0.021 0.000 0.928 104 K CB -0.172 32.313 32.500 -0.025 0.000 0.716 104 K HN 0.282 nan 8.250 nan 0.000 0.446 105 D N 0.730 121.107 120.400 -0.038 0.000 2.328 105 D HA -0.084 4.556 4.640 -0.000 0.000 0.226 105 D C 1.587 177.857 176.300 -0.049 0.000 1.066 105 D CA 0.068 54.038 54.000 -0.050 0.000 0.861 105 D CB 0.130 40.888 40.800 -0.070 0.000 0.912 105 D HN 0.313 nan 8.370 nan 0.000 0.521 106 M N 2.028 121.610 119.600 -0.031 0.000 2.147 106 M HA -0.166 4.314 4.480 -0.000 0.000 0.253 106 M C -1.143 175.141 176.300 -0.026 0.000 1.075 106 M CA 2.084 57.373 55.300 -0.018 0.000 1.085 106 M CB -1.279 31.322 32.600 0.002 0.000 1.305 106 M HN -0.043 nan 8.290 nan 0.000 0.409 107 P HA -0.172 nan 4.420 nan 0.000 0.215 107 P C 1.261 178.510 177.300 -0.086 0.000 1.157 107 P CA 1.795 64.879 63.100 -0.026 0.000 0.863 107 P CB -0.394 31.308 31.700 0.003 0.000 0.787 108 K N 0.455 120.804 120.400 -0.085 0.000 2.147 108 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 108 K C 1.918 178.423 176.600 -0.158 0.000 1.049 108 K CA 1.177 57.392 56.287 -0.121 0.000 0.936 108 K CB -1.027 31.418 32.500 -0.091 0.000 0.722 108 K HN -0.123 nan 8.250 nan 0.000 0.446 109 V N 0.164 119.999 119.914 -0.133 0.000 2.237 109 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 109 V C 2.253 178.258 176.094 -0.148 0.000 1.046 109 V CA 1.869 64.080 62.300 -0.147 0.000 1.007 109 V CB -0.505 31.252 31.823 -0.110 0.000 0.638 109 V HN 0.190 nan 8.190 nan 0.000 0.445 110 V N 0.087 119.933 119.914 -0.114 0.000 2.370 110 V HA -0.358 3.762 4.120 -0.000 0.000 0.252 110 V C 2.478 178.391 176.094 -0.302 0.000 1.068 110 V CA 2.483 64.726 62.300 -0.096 0.000 1.061 110 V CB -0.700 31.109 31.823 -0.022 0.000 0.656 110 V HN 0.698 nan 8.190 nan 0.000 0.455 111 E N -0.117 119.782 120.200 -0.503 0.000 2.072 111 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 111 E C 2.267 178.668 176.600 -0.332 0.000 0.985 111 E CA 1.212 57.154 56.400 -0.764 0.000 0.801 111 E CB -0.088 29.139 29.700 -0.790 0.000 0.750 111 E HN 0.588 nan 8.360 nan 0.000 0.452 112 L N 0.684 121.795 121.223 -0.187 0.000 2.017 112 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 112 L C 2.645 179.535 176.870 0.032 0.000 1.073 112 L CA 0.900 55.732 54.840 -0.012 0.000 0.745 112 L CB -0.461 41.577 42.059 -0.035 0.000 0.894 112 L HN 0.243 nan 8.230 nan 0.000 0.432 113 L N -0.301 120.904 121.223 -0.030 0.000 1.944 113 L HA -0.277 4.063 4.340 -0.000 0.000 0.218 113 L C 2.909 179.810 176.870 0.052 0.000 1.075 113 L CA 1.531 56.418 54.840 0.078 0.000 0.767 113 L CB -0.878 41.261 42.059 0.133 0.000 0.890 113 L HN 0.268 nan 8.230 nan 0.000 0.434 114 A N -0.331 122.428 122.820 -0.102 0.000 1.971 114 A HA -0.358 3.962 4.320 -0.000 0.000 0.222 114 A C 1.934 179.439 177.584 -0.131 0.000 1.182 114 A CA 2.506 54.354 52.037 -0.315 0.000 0.649 114 A CB -0.864 17.498 19.000 -1.063 0.000 0.818 114 A HN 0.552 nan 8.150 nan 0.000 0.458 115 D N -0.971 119.363 120.400 -0.110 0.000 2.144 115 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 115 D C 1.806 178.056 176.300 -0.084 0.000 0.978 115 D CA 1.304 55.264 54.000 -0.067 0.000 0.833 115 D CB -0.016 40.766 40.800 -0.029 0.000 0.961 115 D HN 0.196 nan 8.370 nan 0.000 0.470 116 V N 0.355 120.221 119.914 -0.080 0.000 2.270 116 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 116 V C 2.695 178.641 176.094 -0.246 0.000 1.043 116 V CA 1.674 63.856 62.300 -0.198 0.000 1.014 116 V CB -0.671 31.073 31.823 -0.130 0.000 0.645 116 V HN 0.314 nan 8.190 nan 0.000 0.447 117 V N -1.625 118.173 119.914 -0.194 0.000 2.548 117 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 117 V C 2.011 178.144 176.094 0.065 0.000 1.055 117 V CA 1.802 64.008 62.300 -0.157 0.000 1.065 117 V CB -0.731 30.992 31.823 -0.165 0.000 0.681 117 V HN 0.554 nan 8.190 nan 0.000 0.462 118 Q N 0.443 120.274 119.800 0.051 0.000 2.259 118 Q HA 0.165 4.505 4.340 -0.000 0.000 0.201 118 Q C 0.954 176.969 176.000 0.026 0.000 0.938 118 Q CA 0.973 56.819 55.803 0.072 0.000 0.872 118 Q CB 0.119 28.900 28.738 0.071 0.000 0.971 118 Q HN 0.627 nan 8.270 nan 0.000 0.494 119 N N 0.167 118.855 118.700 -0.021 0.000 2.401 119 N HA 0.096 4.836 4.740 -0.000 0.000 0.264 119 N C -0.873 174.593 175.510 -0.074 0.000 1.238 119 N CA -0.071 52.956 53.050 -0.039 0.000 0.889 119 N CB 0.635 39.098 38.487 -0.040 0.000 1.196 119 N HN 0.128 nan 8.380 nan 0.000 0.511 120 C N 1.327 120.578 119.300 -0.082 0.000 2.523 120 C HA 0.108 4.568 4.460 -0.000 0.000 0.406 120 C C 2.182 177.120 174.990 -0.086 0.000 1.449 120 C CA -0.114 58.834 59.018 -0.117 0.000 1.588 120 C CB -0.762 26.918 27.740 -0.100 0.000 2.514 120 C HN 0.621 nan 8.230 nan 0.000 0.606 121 A N 5.385 128.146 122.820 -0.097 0.000 1.908 121 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 121 A C 1.527 179.081 177.584 -0.051 0.000 1.181 121 A CA 1.560 53.558 52.037 -0.064 0.000 0.627 121 A CB -0.594 18.370 19.000 -0.060 0.000 0.818 121 A HN 1.320 nan 8.150 nan 0.000 0.445 122 L N -1.032 120.158 121.223 -0.055 0.000 3.660 122 L HA -0.193 4.147 4.340 -0.000 0.000 0.440 122 L C 0.017 176.866 176.870 -0.036 0.000 1.262 122 L CA 0.122 54.934 54.840 -0.047 0.000 0.837 122 L CB -1.876 40.149 42.059 -0.056 0.000 1.689 122 L HN 0.560 nan 8.230 nan 0.000 0.890 123 E N 0.689 120.875 120.200 -0.023 0.000 2.493 123 E HA -0.030 4.320 4.350 -0.000 0.000 0.255 123 E C 1.108 177.703 176.600 -0.008 0.000 0.999 123 E CA 0.346 56.738 56.400 -0.013 0.000 0.934 123 E CB 0.996 30.694 29.700 -0.003 0.000 0.940 123 E HN 0.257 nan 8.360 nan 0.000 0.473 124 E N 2.575 122.767 120.200 -0.013 0.000 2.147 124 E HA -0.264 4.086 4.350 -0.000 0.000 0.199 124 E C 1.497 178.100 176.600 0.005 0.000 1.005 124 E CA 2.048 58.441 56.400 -0.012 0.000 0.810 124 E CB -0.096 29.596 29.700 -0.013 0.000 0.736 124 E HN 0.593 nan 8.360 nan 0.000 0.460 125 S N -0.772 114.934 115.700 0.010 0.000 2.406 125 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 125 S C 2.071 176.689 174.600 0.030 0.000 1.020 125 S CA 0.992 59.203 58.200 0.018 0.000 0.965 125 S CB -0.316 62.893 63.200 0.015 0.000 0.798 125 S HN 0.212 nan 8.310 nan 0.000 0.488 126 Q N 1.647 121.466 119.800 0.032 0.000 2.046 126 Q HA 0.080 4.420 4.340 -0.000 0.000 0.200 126 Q C 1.946 177.998 176.000 0.086 0.000 0.975 126 Q CA 1.783 57.615 55.803 0.049 0.000 0.836 126 Q CB -0.725 28.038 28.738 0.040 0.000 0.896 126 Q HN 0.698 nan 8.270 nan 0.000 0.428 127 I N 0.783 121.408 120.570 0.092 0.000 2.194 127 I HA -0.288 3.882 4.170 -0.000 0.000 0.246 127 I C 1.888 178.126 176.117 0.202 0.000 1.093 127 I CA 1.342 62.746 61.300 0.173 0.000 1.355 127 I CB -0.365 37.647 38.000 0.021 0.000 1.046 127 I HN 0.241 nan 8.210 nan 0.000 0.413 128 E N 0.611 120.874 120.200 0.106 0.000 2.268 128 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 128 E C 1.948 178.591 176.600 0.070 0.000 0.995 128 E CA 0.864 57.317 56.400 0.088 0.000 0.836 128 E CB -0.171 29.559 29.700 0.050 0.000 0.763 128 E HN 0.502 nan 8.360 nan 0.000 0.491 129 K N 0.687 121.126 120.400 0.065 0.000 2.067 129 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 129 K C 1.582 178.194 176.600 0.020 0.000 1.048 129 K CA 0.602 56.912 56.287 0.038 0.000 0.954 129 K CB 0.308 32.830 32.500 0.037 0.000 0.737 129 K HN -0.151 nan 8.250 nan 0.000 0.444 130 E N 0.808 121.028 120.200 0.032 0.000 2.338 130 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 130 E C 1.819 178.250 176.600 -0.282 0.000 1.007 130 E CA 0.639 57.001 56.400 -0.063 0.000 0.849 130 E CB -0.027 29.660 29.700 -0.021 0.000 0.774 130 E HN 0.314 nan 8.360 nan 0.000 0.506 131 R N 0.470 120.898 120.500 -0.119 0.000 2.066 131 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 131 R C 2.293 178.514 176.300 -0.131 0.000 1.131 131 R CA 1.665 57.693 56.100 -0.121 0.000 0.955 131 R CB -0.482 29.886 30.300 0.113 0.000 0.851 131 R HN 0.174 nan 8.270 nan 0.000 0.432 132 G N -0.118 108.642 108.800 -0.066 0.000 2.403 132 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 132 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 132 G C 1.384 176.247 174.900 -0.062 0.000 1.154 132 G CA 0.648 45.717 45.100 -0.052 0.000 0.784 132 G HN 0.209 nan 8.290 nan 0.000 0.538 133 V N 1.297 121.171 119.914 -0.066 0.000 2.261 133 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 133 V C 2.795 178.857 176.094 -0.053 0.000 1.047 133 V CA 1.609 63.891 62.300 -0.030 0.000 1.015 133 V CB -0.394 31.445 31.823 0.027 0.000 0.642 133 V HN 0.388 nan 8.190 nan 0.000 0.446 134 I N -0.506 119.935 120.570 -0.216 0.000 2.226 134 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 134 I C 2.350 178.396 176.117 -0.119 0.000 1.100 134 I CA 1.573 62.714 61.300 -0.265 0.000 1.374 134 I CB -0.373 37.259 38.000 -0.613 0.000 1.057 134 I HN 0.265 nan 8.210 nan 0.000 0.413 135 L N 0.110 121.257 121.223 -0.127 0.000 2.187 135 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 135 L C 2.700 179.545 176.870 -0.043 0.000 1.100 135 L CA 1.157 55.952 54.840 -0.076 0.000 0.765 135 L CB -0.462 41.556 42.059 -0.069 0.000 0.904 135 L HN 0.381 nan 8.230 nan 0.000 0.437 136 Q N -0.229 119.553 119.800 -0.031 0.000 2.123 136 Q HA -0.128 4.212 4.340 -0.000 0.000 0.196 136 Q C 1.976 177.977 176.000 0.001 0.000 0.958 136 Q CA 1.023 56.818 55.803 -0.012 0.000 0.841 136 Q CB -0.048 28.687 28.738 -0.006 0.000 0.915 136 Q HN 0.577 nan 8.270 nan 0.000 0.455 137 E N 0.619 120.832 120.200 0.022 0.000 2.267 137 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 137 E C 2.030 178.641 176.600 0.018 0.000 0.998 137 E CA 0.448 56.877 56.400 0.049 0.000 0.830 137 E CB -0.006 29.775 29.700 0.135 0.000 0.751 137 E HN 0.279 nan 8.360 nan 0.000 0.491 138 L N 0.596 121.815 121.223 -0.007 0.000 2.095 138 L HA -0.132 4.208 4.340 -0.000 0.000 0.204 138 L C 2.275 179.124 176.870 -0.035 0.000 1.080 138 L CA 1.114 55.933 54.840 -0.035 0.000 0.759 138 L CB -0.204 41.828 42.059 -0.045 0.000 0.914 138 L HN 0.019 nan 8.230 nan 0.000 0.439 139 K N -0.041 120.344 120.400 -0.025 0.000 2.148 139 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 139 K C 1.908 178.495 176.600 -0.021 0.000 1.050 139 K CA 1.118 57.392 56.287 -0.022 0.000 0.942 139 K CB 0.034 32.525 32.500 -0.016 0.000 0.724 139 K HN 0.373 nan 8.250 nan 0.000 0.446 140 E N 0.666 120.857 120.200 -0.015 0.000 2.016 140 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 140 E C 1.960 178.545 176.600 -0.025 0.000 0.985 140 E CA 1.126 57.518 56.400 -0.013 0.000 0.802 140 E CB -0.050 29.650 29.700 -0.001 0.000 0.762 140 E HN 0.227 nan 8.360 nan 0.000 0.448 141 M N 0.966 120.548 119.600 -0.031 0.000 2.346 141 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 141 M C 1.455 177.711 176.300 -0.074 0.000 1.064 141 M CA 0.980 56.248 55.300 -0.053 0.000 1.083 141 M CB -0.142 32.418 32.600 -0.066 0.000 1.399 141 M HN -0.015 nan 8.290 nan 0.000 0.435 142 D N 0.537 120.897 120.400 -0.066 0.000 2.310 142 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 142 D C 1.176 177.434 176.300 -0.071 0.000 0.965 142 D CA 0.832 54.786 54.000 -0.076 0.000 0.879 142 D CB 0.053 40.822 40.800 -0.053 0.000 0.921 142 D HN 0.229 nan 8.370 nan 0.000 0.510 143 N N 0.255 118.921 118.700 -0.056 0.000 2.235 143 N HA -0.023 4.717 4.740 -0.000 0.000 0.209 143 N C -0.515 174.961 175.510 -0.058 0.000 1.122 143 N CA 0.108 53.129 53.050 -0.048 0.000 0.845 143 N CB 0.583 39.054 38.487 -0.027 0.000 1.004 143 N HN 0.124 nan 8.380 nan 0.000 0.499 144 D N 1.284 121.639 120.400 -0.076 0.000 2.505 144 D HA 0.130 4.770 4.640 -0.000 0.000 0.242 144 D C 1.451 177.667 176.300 -0.140 0.000 1.136 144 D CA -0.391 53.563 54.000 -0.077 0.000 0.954 144 D CB 0.394 41.161 40.800 -0.056 0.000 1.002 144 D HN -0.238 nan 8.370 nan 0.000 0.512 145 M N 1.105 120.569 119.600 -0.228 0.000 2.128 145 M HA -0.192 4.288 4.480 -0.000 0.000 0.253 145 M C 1.743 177.794 176.300 -0.415 0.000 1.079 145 M CA 1.459 56.478 55.300 -0.468 0.000 1.082 145 M CB -1.549 30.460 32.600 -0.985 0.000 1.335 145 M HN 0.285 nan 8.290 nan 0.000 0.401 146 T N 0.880 115.324 114.554 -0.184 0.000 2.720 146 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 146 T C 1.744 176.475 174.700 0.052 0.000 1.037 146 T CA 1.504 63.652 62.100 0.079 0.000 1.144 146 T CB -0.234 68.729 68.868 0.159 0.000 0.864 146 T HN 0.361 nan 8.240 nan 0.000 0.444 147 N N 0.633 119.309 118.700 -0.040 0.000 2.300 147 N HA 0.020 4.760 4.740 -0.000 0.000 0.179 147 N C 1.964 177.415 175.510 -0.099 0.000 1.016 147 N CA 0.504 53.522 53.050 -0.053 0.000 0.876 147 N CB -0.368 38.058 38.487 -0.102 0.000 0.979 147 N HN 0.193 nan 8.380 nan 0.000 0.432 148 V N 1.183 120.984 119.914 -0.188 0.000 2.490 148 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 148 V C 2.125 177.976 176.094 -0.404 0.000 1.061 148 V CA 1.658 63.737 62.300 -0.368 0.000 1.064 148 V CB -0.786 30.822 31.823 -0.359 0.000 0.670 148 V HN 0.332 nan 8.190 nan 0.000 0.461 149 T N -0.332 114.131 114.554 -0.152 0.000 2.812 149 T HA -0.074 4.276 4.350 -0.000 0.000 0.264 149 T C 1.647 176.329 174.700 -0.031 0.000 1.042 149 T CA 1.348 63.426 62.100 -0.036 0.000 1.140 149 T CB -0.328 68.561 68.868 0.034 0.000 0.870 149 T HN 0.364 nan 8.240 nan 0.000 0.445 150 F N 1.757 121.652 119.950 -0.091 0.000 2.293 150 F HA -0.022 4.505 4.527 -0.000 0.000 0.300 150 F C 2.219 178.102 175.800 0.139 0.000 1.086 150 F CA 0.661 58.656 58.000 -0.009 0.000 1.375 150 F CB -0.325 38.617 39.000 -0.096 0.000 1.045 150 F HN 0.078 nan 8.300 nan 0.000 0.516 151 D N -0.845 119.650 120.400 0.160 0.000 2.084 151 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 151 D C 2.308 178.748 176.300 0.233 0.000 0.985 151 D CA 1.434 55.495 54.000 0.102 0.000 0.826 151 D CB -0.695 40.050 40.800 -0.093 0.000 0.978 151 D HN 0.329 nan 8.370 nan 0.000 0.456 152 Y N 0.186 120.531 120.300 0.075 0.000 2.207 152 Y HA -0.202 4.348 4.550 -0.000 0.000 0.287 152 Y C 2.391 178.311 175.900 0.033 0.000 1.156 152 Y CA -0.155 57.968 58.100 0.038 0.000 1.182 152 Y CB -0.057 38.404 38.460 0.001 0.000 0.979 152 Y HN -0.019 nan 8.280 nan 0.000 0.521 153 L N 0.026 121.361 121.223 0.187 0.000 2.042 153 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 153 L C 1.916 178.820 176.870 0.057 0.000 1.076 153 L CA 2.039 56.905 54.840 0.044 0.000 0.749 153 L CB -0.787 41.218 42.059 -0.091 0.000 0.893 153 L HN 0.158 nan 8.230 nan 0.000 0.432 154 H N -0.829 118.337 119.070 0.160 0.000 2.363 154 H HA 0.075 4.631 4.556 -0.000 0.000 0.301 154 H C 2.198 177.651 175.328 0.209 0.000 1.074 154 H CA 1.397 57.607 56.048 0.271 0.000 1.354 154 H CB -0.429 29.525 29.762 0.321 0.000 1.397 154 H HN 0.473 nan 8.280 nan 0.000 0.516 155 A N -0.620 122.376 122.820 0.294 0.000 1.986 155 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 155 A C 2.397 180.033 177.584 0.087 0.000 1.171 155 A CA 2.432 54.585 52.037 0.192 0.000 0.640 155 A CB -0.836 18.287 19.000 0.205 0.000 0.811 155 A HN 0.481 nan 8.150 nan 0.000 0.451 156 T N -2.042 112.524 114.554 0.020 0.000 3.042 156 T HA 0.339 4.689 4.350 -0.000 0.000 0.245 156 T C 2.008 176.581 174.700 -0.212 0.000 1.029 156 T CA 1.176 63.222 62.100 -0.089 0.000 1.120 156 T CB -0.334 68.465 68.868 -0.114 0.000 0.917 156 T HN 0.495 nan 8.240 nan 0.000 0.467 157 A N 0.329 122.977 122.820 -0.287 0.000 1.940 157 A HA 0.113 4.433 4.320 -0.000 0.000 0.219 157 A C 1.272 178.424 177.584 -0.720 0.000 1.176 157 A CA 1.234 52.870 52.037 -0.668 0.000 0.631 157 A CB -0.674 17.950 19.000 -0.626 0.000 0.814 157 A HN 0.623 nan 8.150 nan 0.000 0.446 158 F N 0.562 120.487 119.950 -0.041 0.000 2.855 158 F HA 0.173 4.700 4.527 -0.000 0.000 0.317 158 F C 0.659 176.459 175.800 -0.001 0.000 1.169 158 F CA -0.720 57.292 58.000 0.019 0.000 1.299 158 F CB 0.084 39.149 39.000 0.108 0.000 0.962 158 F HN 0.327 nan 8.300 nan 0.000 0.506 159 Q N 0.219 120.060 119.800 0.068 0.000 2.326 159 Q HA 0.173 4.513 4.340 -0.000 0.000 0.314 159 Q C 1.129 177.160 176.000 0.052 0.000 1.091 159 Q CA 0.772 56.598 55.803 0.039 0.000 0.974 159 Q CB 0.323 29.040 28.738 -0.035 0.000 1.220 159 Q HN 0.538 nan 8.270 nan 0.000 0.398 160 G N 1.429 110.257 108.800 0.047 0.000 2.160 160 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.251 160 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.251 160 G C 0.155 175.085 174.900 0.050 0.000 1.008 160 G CA 0.632 45.755 45.100 0.038 0.000 0.724 160 G HN 1.275 nan 8.290 nan 0.000 0.514 161 T N -5.161 109.434 114.554 0.069 0.000 2.669 161 T HA 0.846 5.196 4.350 -0.000 0.000 0.283 161 T C 1.459 176.173 174.700 0.023 0.000 1.019 161 T CA 0.601 62.730 62.100 0.048 0.000 1.039 161 T CB 1.273 70.180 68.868 0.064 0.000 1.374 161 T HN 1.328 nan 8.240 nan 0.000 0.523 162 A N 0.021 122.824 122.820 -0.028 0.000 1.872 162 A HA 0.224 4.544 4.320 -0.000 0.000 0.214 162 A C 2.301 179.844 177.584 -0.069 0.000 1.187 162 A CA 1.061 53.066 52.037 -0.053 0.000 0.614 162 A CB -1.288 17.650 19.000 -0.103 0.000 0.826 162 A HN 0.763 nan 8.150 nan 0.000 0.442 163 L N -0.423 120.712 121.223 -0.146 0.000 2.450 163 L HA -0.169 4.171 4.340 -0.000 0.000 0.224 163 L C 2.678 179.619 176.870 0.119 0.000 1.149 163 L CA 0.573 55.310 54.840 -0.173 0.000 0.816 163 L CB -0.331 41.353 42.059 -0.624 0.000 0.932 163 L HN 0.467 nan 8.230 nan 0.000 0.449 164 A N -0.336 122.577 122.820 0.155 0.000 2.206 164 A HA -0.012 4.308 4.320 -0.000 0.000 0.211 164 A C 1.164 178.834 177.584 0.143 0.000 1.158 164 A CA 0.313 52.480 52.037 0.216 0.000 0.761 164 A CB -0.200 18.898 19.000 0.163 0.000 0.801 164 A HN 0.277 nan 8.150 nan 0.000 0.473 165 R N 0.492 121.037 120.500 0.074 0.000 2.500 165 R HA 0.396 4.736 4.340 -0.000 0.000 0.277 165 R C 0.140 176.439 176.300 -0.002 0.000 1.026 165 R CA 0.193 56.315 56.100 0.037 0.000 1.058 165 R CB 0.703 31.014 30.300 0.019 0.000 1.078 165 R HN 0.378 nan 8.270 nan 0.000 0.509 166 T N -2.084 112.457 114.554 -0.021 0.000 2.882 166 T HA 0.099 4.449 4.350 -0.000 0.000 0.287 166 T C 1.429 176.068 174.700 -0.101 0.000 1.014 166 T CA -0.909 61.146 62.100 -0.076 0.000 1.049 166 T CB 1.169 69.983 68.868 -0.090 0.000 1.001 166 T HN 0.215 nan 8.240 nan 0.000 0.525 167 V N 1.758 121.584 119.914 -0.147 0.000 2.427 167 V HA -0.077 4.043 4.120 -0.000 0.000 0.248 167 V C 2.545 178.482 176.094 -0.262 0.000 1.051 167 V CA 1.775 63.986 62.300 -0.149 0.000 1.048 167 V CB -0.939 30.802 31.823 -0.136 0.000 0.666 167 V HN 0.870 nan 8.190 nan 0.000 0.456 168 E N 0.258 120.185 120.200 -0.455 0.000 2.274 168 E HA 0.267 4.617 4.350 -0.000 0.000 0.194 168 E C 1.163 177.645 176.600 -0.197 0.000 0.996 168 E CA 0.771 56.791 56.400 -0.634 0.000 0.840 168 E CB -0.308 28.988 29.700 -0.674 0.000 0.772 168 E HN 0.643 nan 8.360 nan 0.000 0.491 169 G N -0.687 108.039 108.800 -0.123 0.000 2.685 169 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.387 169 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.387 169 G C -0.027 174.853 174.900 -0.032 0.000 1.324 169 G CA -0.481 44.595 45.100 -0.039 0.000 0.878 169 G HN 0.095 nan 8.290 nan 0.000 0.527 170 T N -0.293 114.261 114.554 -0.001 0.000 2.824 170 T HA 0.551 4.901 4.350 -0.000 0.000 0.277 170 T C 1.865 176.563 174.700 -0.005 0.000 0.975 170 T CA 0.513 62.614 62.100 0.002 0.000 0.966 170 T CB 1.241 70.122 68.868 0.021 0.000 1.054 170 T HN 0.742 nan 8.240 nan 0.000 0.533 171 T N 1.217 115.765 114.554 -0.009 0.000 2.857 171 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 171 T C 1.921 176.596 174.700 -0.041 0.000 1.048 171 T CA 0.850 62.933 62.100 -0.027 0.000 1.139 171 T CB -0.045 68.809 68.868 -0.023 0.000 0.874 171 T HN 0.442 nan 8.240 nan 0.000 0.455 172 E N 1.693 121.890 120.200 -0.005 0.000 2.015 172 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 172 E C 2.241 178.858 176.600 0.029 0.000 0.991 172 E CA 0.943 57.354 56.400 0.018 0.000 0.802 172 E CB -0.598 29.164 29.700 0.103 0.000 0.759 172 E HN 0.333 nan 8.360 nan 0.000 0.447 173 N N 0.783 119.519 118.700 0.060 0.000 2.137 173 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 173 N C 1.909 177.471 175.510 0.086 0.000 1.017 173 N CA 0.883 53.981 53.050 0.080 0.000 0.859 173 N CB -0.266 38.262 38.487 0.069 0.000 1.002 173 N HN 0.199 nan 8.380 nan 0.000 0.428 174 I N 0.240 120.847 120.570 0.061 0.000 2.500 174 I HA -0.120 4.050 4.170 -0.000 0.000 0.252 174 I C 1.633 177.792 176.117 0.070 0.000 1.142 174 I CA 0.775 62.150 61.300 0.123 0.000 1.451 174 I CB 0.041 38.049 38.000 0.014 0.000 1.093 174 I HN 0.062 nan 8.210 nan 0.000 0.430 175 K N -0.333 119.988 120.400 -0.133 0.000 2.366 175 K HA -0.049 4.271 4.320 -0.000 0.000 0.198 175 K C 1.252 177.619 176.600 -0.388 0.000 1.044 175 K CA 0.803 56.903 56.287 -0.312 0.000 0.973 175 K CB 0.125 32.303 32.500 -0.537 0.000 0.767 175 K HN 0.402 nan 8.250 nan 0.000 0.475 176 H N -0.836 118.267 119.070 0.054 0.000 3.241 176 H HA 0.187 4.743 4.556 -0.000 0.000 0.260 176 H C 0.291 175.608 175.328 -0.018 0.000 1.084 176 H CA -0.337 55.722 56.048 0.018 0.000 1.203 176 H CB 0.317 30.085 29.762 0.011 0.000 1.524 176 H HN -0.011 nan 8.280 nan 0.000 0.521 177 L N 2.240 123.498 121.223 0.059 0.000 2.543 177 L HA -0.035 4.305 4.340 -0.000 0.000 0.285 177 L C 0.452 177.218 176.870 -0.174 0.000 1.236 177 L CA 0.891 55.684 54.840 -0.079 0.000 0.871 177 L CB 0.417 42.368 42.059 -0.180 0.000 1.121 177 L HN 0.066 nan 8.230 nan 0.000 0.501 178 T N 2.893 117.352 114.554 -0.158 0.000 2.945 178 T HA 0.210 4.560 4.350 -0.000 0.000 0.286 178 T C 1.024 175.609 174.700 -0.191 0.000 1.025 178 T CA -0.728 61.283 62.100 -0.148 0.000 1.039 178 T CB 1.965 70.788 68.868 -0.076 0.000 1.068 178 T HN 0.542 nan 8.240 nan 0.000 0.497 179 R N 1.049 121.456 120.500 -0.155 0.000 2.133 179 R HA -0.173 4.167 4.340 -0.000 0.000 0.247 179 R C 2.133 178.367 176.300 -0.110 0.000 1.151 179 R CA 1.973 57.990 56.100 -0.138 0.000 0.971 179 R CB -0.875 29.372 30.300 -0.089 0.000 0.866 179 R HN 0.738 nan 8.270 nan 0.000 0.447 180 A N 1.095 123.863 122.820 -0.086 0.000 1.858 180 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 180 A C 1.722 179.270 177.584 -0.061 0.000 1.190 180 A CA 1.975 53.974 52.037 -0.063 0.000 0.617 180 A CB -0.658 18.313 19.000 -0.048 0.000 0.827 180 A HN 0.431 nan 8.150 nan 0.000 0.443 181 D N 0.385 120.743 120.400 -0.069 0.000 2.133 181 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 181 D C 1.814 178.091 176.300 -0.040 0.000 0.997 181 D CA 1.385 55.357 54.000 -0.046 0.000 0.840 181 D CB -0.330 40.435 40.800 -0.059 0.000 0.947 181 D HN 0.453 nan 8.370 nan 0.000 0.452 182 L N 0.427 121.579 121.223 -0.117 0.000 2.056 182 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 182 L C 2.532 179.376 176.870 -0.044 0.000 1.078 182 L CA 1.093 55.862 54.840 -0.118 0.000 0.749 182 L CB -0.602 41.326 42.059 -0.219 0.000 0.901 182 L HN 0.068 nan 8.230 nan 0.000 0.433 183 A N -0.526 122.260 122.820 -0.058 0.000 1.858 183 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 183 A C 2.567 180.127 177.584 -0.040 0.000 1.190 183 A CA 2.045 54.054 52.037 -0.046 0.000 0.617 183 A CB -0.829 18.142 19.000 -0.049 0.000 0.827 183 A HN 0.347 nan 8.150 nan 0.000 0.443 184 S N -1.818 113.864 115.700 -0.031 0.000 2.365 184 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 184 S C 1.882 176.451 174.600 -0.051 0.000 1.039 184 S CA 1.943 60.119 58.200 -0.040 0.000 1.033 184 S CB -0.611 62.576 63.200 -0.021 0.000 0.887 184 S HN 0.646 nan 8.310 nan 0.000 0.447 185 Y N 1.813 122.046 120.300 -0.111 0.000 2.097 185 Y HA -0.158 4.392 4.550 -0.000 0.000 0.282 185 Y C 1.969 177.728 175.900 -0.234 0.000 1.152 185 Y CA 2.168 60.221 58.100 -0.079 0.000 1.136 185 Y CB -0.451 37.967 38.460 -0.069 0.000 0.975 185 Y HN 0.322 nan 8.280 nan 0.000 0.498 186 I N 0.043 120.525 120.570 -0.148 0.000 2.179 186 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 186 I C 1.878 177.839 176.117 -0.259 0.000 1.088 186 I CA 1.727 62.786 61.300 -0.401 0.000 1.357 186 I CB -0.520 37.385 38.000 -0.159 0.000 1.051 186 I HN 0.246 nan 8.210 nan 0.000 0.409 187 D N 0.273 120.579 120.400 -0.156 0.000 2.224 187 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 187 D C 2.145 178.337 176.300 -0.181 0.000 0.965 187 D CA 1.338 55.270 54.000 -0.113 0.000 0.852 187 D CB -0.028 40.725 40.800 -0.077 0.000 0.947 187 D HN 0.347 nan 8.370 nan 0.000 0.494 188 T N -0.534 113.832 114.554 -0.313 0.000 3.009 188 T HA -0.023 4.327 4.350 -0.000 0.000 0.258 188 T C 1.503 175.806 174.700 -0.663 0.000 1.063 188 T CA 0.695 62.504 62.100 -0.485 0.000 1.139 188 T CB 0.255 68.737 68.868 -0.644 0.000 0.890 188 T HN 0.268 nan 8.240 nan 0.000 0.471 189 H N -0.662 118.169 119.070 -0.398 0.000 2.545 189 H HA 0.293 4.849 4.556 -0.000 0.000 0.283 189 H C 0.241 175.521 175.328 -0.080 0.000 0.997 189 H CA -0.130 55.690 56.048 -0.380 0.000 1.269 189 H CB 0.038 29.342 29.762 -0.763 0.000 1.451 189 H HN 0.347 nan 8.280 nan 0.000 0.508 190 F N 3.105 123.025 119.950 -0.051 0.000 2.651 190 F HA 0.195 4.722 4.527 -0.000 0.000 0.347 190 F C 0.267 176.056 175.800 -0.018 0.000 1.284 190 F CA -0.124 57.869 58.000 -0.011 0.000 1.175 190 F CB -0.016 38.999 39.000 0.025 0.000 1.542 190 F HN -0.250 nan 8.300 nan 0.000 0.661 191 K N 1.119 121.607 120.400 0.147 0.000 2.427 191 K HA 0.487 4.806 4.320 -0.000 0.000 0.252 191 K C 0.533 177.150 176.600 0.028 0.000 0.931 191 K CA -0.636 55.691 56.287 0.067 0.000 0.793 191 K CB 2.108 34.622 32.500 0.024 0.000 1.211 191 K HN 0.386 nan 8.250 nan 0.000 0.426 192 A N 4.420 127.245 122.820 0.008 0.000 1.923 192 A HA -0.197 4.123 4.320 -0.000 0.000 0.222 192 A C -0.450 177.113 177.584 -0.035 0.000 1.258 192 A CA 2.078 54.092 52.037 -0.038 0.000 0.670 192 A CB -1.539 17.447 19.000 -0.024 0.000 0.834 192 A HN 0.666 nan 8.150 nan 0.000 0.470 193 P HA -0.141 nan 4.420 nan 0.000 0.222 193 P C 0.938 178.244 177.300 0.009 0.000 1.147 193 P CA 1.306 64.405 63.100 -0.001 0.000 0.790 193 P CB -0.162 31.541 31.700 0.005 0.000 0.780 194 R N -1.525 118.983 120.500 0.013 0.000 2.359 194 R HA 0.342 4.682 4.340 -0.000 0.000 0.231 194 R C 1.002 177.312 176.300 0.017 0.000 0.913 194 R CA 0.018 56.133 56.100 0.025 0.000 1.075 194 R CB -0.012 30.306 30.300 0.030 0.000 1.087 194 R HN 0.279 nan 8.270 nan 0.000 0.515 195 M N -0.084 119.510 119.600 -0.010 0.000 2.716 195 M HA 0.450 4.930 4.480 -0.000 0.000 0.307 195 M C -0.962 175.320 176.300 -0.031 0.000 1.223 195 M CA -1.089 54.193 55.300 -0.029 0.000 0.871 195 M CB 2.809 35.349 32.600 -0.101 0.000 1.739 195 M HN -0.302 nan 8.290 nan 0.000 0.475 196 V N 2.262 122.183 119.914 0.012 0.000 2.668 196 V HA 0.362 4.482 4.120 -0.000 0.000 0.304 196 V C -1.362 174.787 176.094 0.091 0.000 1.071 196 V CA -0.703 61.620 62.300 0.038 0.000 0.894 196 V CB 2.272 34.142 31.823 0.079 0.000 1.008 196 V HN 0.654 nan 8.190 nan 0.000 0.425 197 L N 5.277 126.513 121.223 0.021 0.000 2.255 197 L HA 0.848 5.188 4.340 -0.000 0.000 0.289 197 L C 0.322 177.283 176.870 0.152 0.000 1.046 197 L CA 0.337 55.230 54.840 0.088 0.000 0.816 197 L CB 0.746 42.809 42.059 0.007 0.000 1.197 197 L HN 0.797 nan 8.230 nan 0.000 0.427 198 A N 4.357 127.335 122.820 0.263 0.000 2.337 198 A HA 0.991 5.311 4.320 -0.000 0.000 0.331 198 A C -0.814 176.889 177.584 0.199 0.000 1.137 198 A CA -0.025 52.107 52.037 0.157 0.000 0.807 198 A CB 1.452 20.427 19.000 -0.041 0.000 1.250 198 A HN 1.034 nan 8.150 nan 0.000 0.468 199 A N 0.067 122.951 122.820 0.108 0.000 2.547 199 A HA 0.879 5.199 4.320 -0.000 0.000 0.297 199 A C -0.583 177.033 177.584 0.054 0.000 1.056 199 A CA 0.130 52.233 52.037 0.110 0.000 0.688 199 A CB 1.282 20.348 19.000 0.111 0.000 1.282 199 A HN 2.523 nan 8.150 nan 0.000 0.400 200 A N 0.515 123.365 122.820 0.051 0.000 2.486 200 A HA 1.041 5.361 4.320 -0.000 0.000 0.300 200 A C 0.244 177.845 177.584 0.029 0.000 1.048 200 A CA 0.257 52.306 52.037 0.020 0.000 0.696 200 A CB 1.236 20.231 19.000 -0.008 0.000 1.278 200 A HN 2.894 nan 8.150 nan 0.000 0.405 201 G N -0.134 108.677 108.800 0.018 0.000 2.250 201 G HA2 0.470 4.430 3.960 -0.000 0.000 0.252 201 G HA3 0.470 4.430 3.960 -0.000 0.000 0.252 201 G C 0.226 175.134 174.900 0.014 0.000 1.325 201 G CA 0.042 45.152 45.100 0.016 0.000 1.091 201 G HN 1.874 nan 8.290 nan 0.000 0.476 202 G N 0.385 109.193 108.800 0.012 0.000 2.977 202 G HA2 0.579 4.539 3.960 -0.000 0.000 0.306 202 G HA3 0.579 4.539 3.960 -0.000 0.000 0.306 202 G C -0.266 174.644 174.900 0.016 0.000 0.885 202 G CA -0.005 45.102 45.100 0.011 0.000 1.649 202 G HN 0.690 nan 8.290 nan 0.000 0.514 203 I N 0.389 120.973 120.570 0.025 0.000 2.686 203 I HA 0.243 4.413 4.170 -0.000 0.000 0.295 203 I C -0.057 176.088 176.117 0.045 0.000 1.114 203 I CA -0.921 60.398 61.300 0.032 0.000 1.038 203 I CB 2.576 40.600 38.000 0.040 0.000 1.238 203 I HN 0.283 nan 8.210 nan 0.000 0.420 204 S N 3.414 119.140 115.700 0.043 0.000 2.448 204 S HA 0.093 4.563 4.470 -0.000 0.000 0.279 204 S C 1.108 175.755 174.600 0.079 0.000 1.195 204 S CA -0.039 58.195 58.200 0.057 0.000 1.051 204 S CB 0.116 63.337 63.200 0.035 0.000 0.948 204 S HN 0.698 nan 8.310 nan 0.000 0.493 205 H N 5.872 124.949 119.070 0.011 0.000 2.357 205 H HA -0.133 4.423 4.556 -0.000 0.000 0.296 205 H C 1.636 176.977 175.328 0.022 0.000 1.108 205 H CA 2.511 58.568 56.048 0.015 0.000 1.273 205 H CB 0.176 29.942 29.762 0.007 0.000 1.367 205 H HN 0.529 nan 8.280 nan 0.000 0.498 206 K N 0.837 121.224 120.400 -0.022 0.000 1.969 206 K HA -0.164 4.156 4.320 -0.000 0.000 0.216 206 K C 2.192 178.751 176.600 -0.068 0.000 1.048 206 K CA 1.895 58.143 56.287 -0.066 0.000 0.948 206 K CB -0.815 31.687 32.500 0.004 0.000 0.726 206 K HN 0.581 nan 8.250 nan 0.000 0.442 207 E N 0.840 121.027 120.200 -0.022 0.000 2.233 207 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 207 E C 1.972 178.565 176.600 -0.011 0.000 1.004 207 E CA 0.824 57.218 56.400 -0.009 0.000 0.819 207 E CB -0.215 29.488 29.700 0.005 0.000 0.738 207 E HN 0.081 nan 8.360 nan 0.000 0.478 208 L N 0.517 121.722 121.223 -0.031 0.000 1.973 208 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 208 L C 2.377 179.229 176.870 -0.030 0.000 1.073 208 L CA 1.485 56.315 54.840 -0.017 0.000 0.746 208 L CB -0.842 41.207 42.059 -0.016 0.000 0.891 208 L HN 0.042 nan 8.230 nan 0.000 0.433 209 V N -0.077 119.751 119.914 -0.143 0.000 2.392 209 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 209 V C 2.192 178.269 176.094 -0.029 0.000 1.059 209 V CA 2.401 64.633 62.300 -0.114 0.000 1.051 209 V CB -0.621 31.054 31.823 -0.246 0.000 0.658 209 V HN 0.597 nan 8.190 nan 0.000 0.455 210 D N 0.612 120.992 120.400 -0.033 0.000 2.097 210 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 210 D C 2.190 178.504 176.300 0.024 0.000 0.989 210 D CA 1.840 55.836 54.000 -0.008 0.000 0.827 210 D CB -0.349 40.444 40.800 -0.011 0.000 0.966 210 D HN 0.587 nan 8.370 nan 0.000 0.456 211 A N 0.839 123.691 122.820 0.053 0.000 2.067 211 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 211 A C 2.220 179.919 177.584 0.192 0.000 1.158 211 A CA 1.772 53.884 52.037 0.125 0.000 0.661 211 A CB -0.329 18.739 19.000 0.114 0.000 0.801 211 A HN 0.239 nan 8.150 nan 0.000 0.452 212 A N 0.069 122.985 122.820 0.160 0.000 1.840 212 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 212 A C 2.182 179.901 177.584 0.224 0.000 1.198 212 A CA 1.368 53.570 52.037 0.276 0.000 0.608 212 A CB -0.471 18.658 19.000 0.214 0.000 0.839 212 A HN 0.478 nan 8.150 nan 0.000 0.443 213 R N -0.769 119.796 120.500 0.107 0.000 2.117 213 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 213 R C 2.494 178.793 176.300 -0.002 0.000 1.143 213 R CA 1.813 57.948 56.100 0.057 0.000 0.968 213 R CB -0.270 30.039 30.300 0.015 0.000 0.863 213 R HN 0.754 nan 8.270 nan 0.000 0.444 214 Q N -0.786 118.975 119.800 -0.065 0.000 2.079 214 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 214 Q C 0.903 176.641 176.000 -0.436 0.000 0.974 214 Q CA 1.641 57.287 55.803 -0.260 0.000 0.840 214 Q CB 0.212 28.741 28.738 -0.349 0.000 0.898 214 Q HN 0.554 nan 8.270 nan 0.000 0.430 215 H N -2.726 116.266 119.070 -0.130 0.000 2.740 215 H HA 0.188 4.744 4.556 -0.000 0.000 0.265 215 H C -0.552 174.537 175.328 -0.399 0.000 0.978 215 H CA -0.031 55.845 56.048 -0.286 0.000 1.198 215 H CB 0.645 30.158 29.762 -0.415 0.000 1.467 215 H HN 0.041 nan 8.280 nan 0.000 0.511 216 F N 1.419 121.416 119.950 0.078 0.000 2.438 216 F HA 0.186 4.713 4.527 -0.000 0.000 0.315 216 F C 0.965 176.769 175.800 0.008 0.000 1.258 216 F CA -0.579 57.447 58.000 0.044 0.000 1.180 216 F CB 0.876 39.903 39.000 0.045 0.000 1.412 216 F HN 0.149 nan 8.300 nan 0.000 0.544 217 S N 0.161 115.931 115.700 0.118 0.000 2.384 217 S HA 0.100 4.570 4.470 -0.000 0.000 0.217 217 S C 1.613 176.236 174.600 0.038 0.000 1.041 217 S CA 0.329 58.559 58.200 0.050 0.000 0.948 217 S CB -0.809 62.391 63.200 -0.001 0.000 0.872 217 S HN 0.476 nan 8.310 nan 0.000 0.512 218 G N 3.016 111.843 108.800 0.046 0.000 2.888 218 G HA2 0.178 4.138 3.960 -0.000 0.000 0.311 218 G HA3 0.178 4.138 3.960 -0.000 0.000 0.311 218 G C -0.094 174.795 174.900 -0.019 0.000 0.310 218 G CA 0.136 45.251 45.100 0.026 0.000 1.201 218 G HN 0.433 nan 8.290 nan 0.000 0.194 219 V N 2.654 122.508 119.914 -0.100 0.000 2.973 219 V HA 0.630 4.750 4.120 -0.000 0.000 0.314 219 V C 0.734 176.649 176.094 -0.298 0.000 1.066 219 V CA -0.286 61.902 62.300 -0.187 0.000 1.021 219 V CB 1.920 33.597 31.823 -0.243 0.000 1.076 219 V HN 0.989 nan 8.190 nan 0.000 0.462 220 S N 0.498 116.038 115.700 -0.266 0.000 2.565 220 S HA 0.634 5.104 4.470 -0.000 0.000 0.290 220 S C -0.032 174.369 174.600 -0.331 0.000 1.150 220 S CA -0.482 57.590 58.200 -0.213 0.000 1.058 220 S CB 1.248 64.406 63.200 -0.069 0.000 1.032 220 S HN 0.420 nan 8.310 nan 0.000 0.510 221 F N 0.982 120.944 119.950 0.019 0.000 2.390 221 F HA 0.157 4.684 4.527 -0.000 0.000 0.281 221 F C 1.901 177.731 175.800 0.051 0.000 1.016 221 F CA 0.410 58.428 58.000 0.030 0.000 1.286 221 F CB -0.641 38.373 39.000 0.024 0.000 1.134 221 F HN 0.682 nan 8.300 nan 0.000 0.597 222 T N -1.611 113.097 114.554 0.257 0.000 2.849 222 T HA 0.067 4.417 4.350 -0.000 0.000 0.284 222 T C 0.786 175.574 174.700 0.146 0.000 1.004 222 T CA -0.290 61.931 62.100 0.201 0.000 1.021 222 T CB 0.610 69.546 68.868 0.114 0.000 1.013 222 T HN 0.437 nan 8.240 nan 0.000 0.527 223 Y N 0.013 120.345 120.300 0.053 0.000 2.373 223 Y HA 0.214 4.764 4.550 -0.000 0.000 0.293 223 Y C 2.310 178.231 175.900 0.035 0.000 1.129 223 Y CA 0.388 58.511 58.100 0.038 0.000 1.226 223 Y CB -0.447 38.033 38.460 0.033 0.000 1.000 223 Y HN 0.505 nan 8.280 nan 0.000 0.549 224 K N 0.993 120.830 120.400 -0.939 0.000 2.057 224 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 224 K C 1.821 178.263 176.600 -0.264 0.000 1.049 224 K CA 1.974 57.848 56.287 -0.689 0.000 0.931 224 K CB -0.183 31.958 32.500 -0.599 0.000 0.714 224 K HN 0.551 nan 8.250 nan 0.000 0.440 225 E N 0.749 120.854 120.200 -0.157 0.000 2.204 225 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 225 E C 0.793 177.366 176.600 -0.044 0.000 0.990 225 E CA 1.239 57.598 56.400 -0.068 0.000 0.821 225 E CB -0.076 29.614 29.700 -0.017 0.000 0.750 225 E HN 0.366 nan 8.360 nan 0.000 0.477 226 D N 0.070 120.450 120.400 -0.033 0.000 2.328 226 D HA 0.098 4.738 4.640 -0.000 0.000 0.226 226 D C -0.347 175.955 176.300 0.003 0.000 1.066 226 D CA 0.055 54.053 54.000 -0.003 0.000 0.861 226 D CB 0.467 41.281 40.800 0.023 0.000 0.912 226 D HN 0.066 nan 8.370 nan 0.000 0.521 227 A N 0.818 123.624 122.820 -0.023 0.000 2.260 227 A HA 0.448 4.768 4.320 -0.000 0.000 0.314 227 A C -0.290 177.299 177.584 0.010 0.000 1.257 227 A CA -0.618 51.416 52.037 -0.004 0.000 0.871 227 A CB 1.021 20.001 19.000 -0.033 0.000 1.166 227 A HN 0.116 nan 8.150 nan 0.000 0.522 228 V N 6.233 126.169 119.914 0.037 0.000 2.389 228 V HA 0.395 4.515 4.120 -0.000 0.000 0.264 228 V C -1.747 174.392 176.094 0.075 0.000 1.049 228 V CA -1.754 60.583 62.300 0.061 0.000 0.932 228 V CB 0.684 32.549 31.823 0.070 0.000 1.011 228 V HN 0.863 nan 8.190 nan 0.000 0.475 229 P HA 0.204 nan 4.420 nan 0.000 0.267 229 P C -0.445 176.916 177.300 0.101 0.000 1.205 229 P CA 0.066 63.222 63.100 0.092 0.000 0.765 229 P CB 0.694 32.460 31.700 0.111 0.000 0.828 230 I N 3.546 124.156 120.570 0.067 0.000 2.325 230 I HA 0.165 4.335 4.170 -0.000 0.000 0.291 230 I C 0.930 177.057 176.117 0.017 0.000 1.019 230 I CA -0.812 60.519 61.300 0.050 0.000 1.302 230 I CB 0.601 38.629 38.000 0.047 0.000 1.401 230 I HN 0.186 nan 8.210 nan 0.000 0.485 231 L N 8.199 129.405 121.223 -0.027 0.000 2.417 231 L HA 0.299 4.639 4.340 -0.000 0.000 0.268 231 L C -1.717 175.119 176.870 -0.057 0.000 1.158 231 L CA -1.636 53.149 54.840 -0.092 0.000 0.819 231 L CB 0.084 42.004 42.059 -0.233 0.000 1.112 231 L HN 0.428 nan 8.230 nan 0.000 0.458 232 P HA 0.069 nan 4.420 nan 0.000 0.271 232 P C -0.687 176.592 177.300 -0.035 0.000 1.226 232 P CA -0.476 62.608 63.100 -0.027 0.000 0.765 232 P CB 0.623 32.311 31.700 -0.020 0.000 0.835 233 R N 3.016 123.511 120.500 -0.008 0.000 2.640 233 R HA 0.095 4.435 4.340 -0.000 0.000 0.270 233 R C -0.888 175.417 176.300 0.008 0.000 1.024 233 R CA 0.105 56.207 56.100 0.003 0.000 1.085 233 R CB -0.027 30.294 30.300 0.036 0.000 0.963 233 R HN 0.458 nan 8.270 nan 0.000 0.426 234 C N 5.133 124.432 119.300 -0.001 0.000 2.273 234 C HA 0.348 4.808 4.460 -0.000 0.000 0.328 234 C C 0.376 175.484 174.990 0.196 0.000 1.275 234 C CA -0.613 58.424 59.018 0.032 0.000 1.704 234 C CB 0.342 27.989 27.740 -0.154 0.000 2.326 234 C HN 0.838 nan 8.230 nan 0.000 0.517 235 R N 3.067 123.693 120.500 0.211 0.000 2.298 235 R HA 0.283 4.623 4.340 -0.000 0.000 0.310 235 R C -0.734 175.777 176.300 0.350 0.000 1.068 235 R CA -0.216 56.031 56.100 0.245 0.000 0.957 235 R CB 0.400 30.784 30.300 0.139 0.000 1.003 235 R HN 0.682 nan 8.270 nan 0.000 0.454 236 F N 2.914 122.986 119.950 0.202 0.000 2.389 236 F HA 0.281 4.808 4.527 -0.000 0.000 0.337 236 F C -0.643 175.159 175.800 0.003 0.000 1.112 236 F CA 0.391 58.434 58.000 0.072 0.000 1.192 236 F CB 1.510 40.537 39.000 0.044 0.000 1.185 236 F HN 0.423 nan 8.300 nan 0.000 0.552 237 T N 4.297 118.258 114.554 -0.989 0.000 2.937 237 T HA 0.419 4.769 4.350 -0.000 0.000 0.297 237 T C -0.145 174.103 174.700 -0.754 0.000 0.991 237 T CA -0.550 61.185 62.100 -0.608 0.000 0.990 237 T CB 1.232 69.891 68.868 -0.348 0.000 0.991 237 T HN 0.924 nan 8.240 nan 0.000 0.440 238 G N 2.596 111.202 108.800 -0.324 0.000 2.335 238 G HA2 0.497 4.457 3.960 -0.000 0.000 0.268 238 G HA3 0.497 4.457 3.960 -0.000 0.000 0.268 238 G C 0.018 174.769 174.900 -0.248 0.000 1.228 238 G CA -0.107 44.933 45.100 -0.100 0.000 0.968 238 G HN 0.963 nan 8.290 nan 0.000 0.459 239 S N 1.152 116.705 115.700 -0.245 0.000 2.656 239 S HA 0.694 5.164 4.470 -0.000 0.000 0.265 239 S C -1.052 173.450 174.600 -0.164 0.000 1.132 239 S CA -0.934 57.028 58.200 -0.397 0.000 0.819 239 S CB 1.810 64.818 63.200 -0.320 0.000 1.119 239 S HN 0.999 nan 8.310 nan 0.000 0.476 240 E N -0.122 119.977 120.200 -0.168 0.000 2.383 240 E HA 0.769 5.119 4.350 -0.000 0.000 0.275 240 E C -1.526 175.023 176.600 -0.086 0.000 0.918 240 E CA -1.135 55.245 56.400 -0.034 0.000 0.764 240 E CB 2.123 31.893 29.700 0.116 0.000 1.252 240 E HN 0.813 nan 8.360 nan 0.000 0.449 241 I N 1.269 121.789 120.570 -0.084 0.000 2.499 241 I HA 0.464 4.634 4.170 -0.000 0.000 0.288 241 I C -1.364 174.682 176.117 -0.118 0.000 1.048 241 I CA -0.858 60.356 61.300 -0.143 0.000 1.062 241 I CB 1.245 39.106 38.000 -0.231 0.000 1.238 241 I HN 0.554 nan 8.210 nan 0.000 0.426 242 R N 6.654 127.089 120.500 -0.108 0.000 2.337 242 R HA 0.617 4.957 4.340 -0.000 0.000 0.319 242 R C -0.833 175.423 176.300 -0.074 0.000 0.954 242 R CA -0.717 55.346 56.100 -0.061 0.000 0.840 242 R CB 1.849 32.135 30.300 -0.024 0.000 1.164 242 R HN 0.659 nan 8.270 nan 0.000 0.472 243 A N 3.981 126.773 122.820 -0.047 0.000 2.280 243 A HA 0.315 4.635 4.320 -0.000 0.000 0.320 243 A C -0.115 177.492 177.584 0.039 0.000 1.366 243 A CA -0.563 51.469 52.037 -0.009 0.000 0.938 243 A CB 0.303 19.356 19.000 0.089 0.000 1.157 243 A HN 0.714 nan 8.150 nan 0.000 0.536 244 R N 2.152 122.666 120.500 0.024 0.000 2.294 244 R HA 0.471 4.811 4.340 -0.000 0.000 0.319 244 R C -1.682 174.639 176.300 0.036 0.000 0.984 244 R CA -0.311 55.809 56.100 0.033 0.000 0.861 244 R CB 0.916 31.230 30.300 0.023 0.000 1.104 244 R HN 0.579 nan 8.270 nan 0.000 0.451 245 D N 2.952 123.377 120.400 0.043 0.000 2.323 245 D HA 0.129 4.769 4.640 -0.000 0.000 0.242 245 D C -0.436 175.888 176.300 0.040 0.000 1.347 245 D CA -0.409 53.614 54.000 0.039 0.000 0.988 245 D CB 1.286 42.111 40.800 0.041 0.000 1.314 245 D HN 0.516 nan 8.370 nan 0.000 0.564 246 D N 1.972 122.393 120.400 0.034 0.000 2.310 246 D HA -0.070 4.570 4.640 -0.000 0.000 0.212 246 D C 1.781 178.102 176.300 0.034 0.000 0.965 246 D CA 0.656 54.678 54.000 0.035 0.000 0.879 246 D CB 0.260 41.077 40.800 0.029 0.000 0.921 246 D HN 0.520 nan 8.370 nan 0.000 0.510 247 A N 0.398 123.236 122.820 0.030 0.000 2.067 247 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 247 A C 1.274 178.877 177.584 0.031 0.000 1.158 247 A CA 0.246 52.299 52.037 0.027 0.000 0.661 247 A CB -0.299 18.715 19.000 0.023 0.000 0.801 247 A HN 0.177 nan 8.150 nan 0.000 0.452 248 L N 0.690 121.935 121.223 0.037 0.000 2.426 248 L HA 0.111 4.451 4.340 -0.000 0.000 0.271 248 L C -0.773 176.125 176.870 0.047 0.000 1.169 248 L CA -1.432 53.433 54.840 0.042 0.000 0.836 248 L CB 0.655 42.746 42.059 0.052 0.000 1.112 248 L HN 0.179 nan 8.230 nan 0.000 0.465 249 P HA -0.096 nan 4.420 nan 0.000 0.216 249 P C 0.101 177.425 177.300 0.039 0.000 1.153 249 P CA 1.241 64.362 63.100 0.035 0.000 0.848 249 P CB 0.187 31.898 31.700 0.019 0.000 0.787 250 V N -4.720 115.223 119.914 0.048 0.000 3.007 250 V HA 0.881 5.001 4.120 -0.000 0.000 0.311 250 V C -0.774 175.404 176.094 0.139 0.000 1.120 250 V CA -1.464 60.869 62.300 0.054 0.000 0.980 250 V CB 1.477 33.252 31.823 -0.080 0.000 1.033 250 V HN 0.170 nan 8.190 nan 0.000 0.429 251 A N 1.942 124.846 122.820 0.140 0.000 2.303 251 A HA 0.795 5.115 4.320 -0.000 0.000 0.317 251 A C -0.342 177.336 177.584 0.156 0.000 1.149 251 A CA -0.594 51.551 52.037 0.180 0.000 0.822 251 A CB 0.555 19.640 19.000 0.142 0.000 1.131 251 A HN 1.051 nan 8.150 nan 0.000 0.493 252 H N 0.187 119.280 119.070 0.039 0.000 2.495 252 H HA 0.597 5.153 4.556 -0.000 0.000 0.348 252 H C -1.294 173.960 175.328 -0.123 0.000 1.113 252 H CA -0.518 55.528 56.048 -0.003 0.000 1.195 252 H CB 1.991 31.851 29.762 0.165 0.000 1.521 252 H HN 0.392 nan 8.280 nan 0.000 0.509 253 V N 1.655 121.378 119.914 -0.318 0.000 2.760 253 V HA 0.586 4.706 4.120 -0.000 0.000 0.309 253 V C -0.692 175.158 176.094 -0.408 0.000 1.077 253 V CA -0.755 61.263 62.300 -0.471 0.000 0.910 253 V CB 1.813 33.073 31.823 -0.938 0.000 1.008 253 V HN 0.922 nan 8.190 nan 0.000 0.424 254 A N 4.307 126.975 122.820 -0.253 0.000 2.422 254 A HA 0.960 5.280 4.320 -0.000 0.000 0.302 254 A C -1.690 175.701 177.584 -0.322 0.000 1.041 254 A CA -0.494 51.395 52.037 -0.248 0.000 0.708 254 A CB 1.711 20.524 19.000 -0.310 0.000 1.257 254 A HN 0.874 nan 8.150 nan 0.000 0.414 255 L N 1.653 122.553 121.223 -0.538 0.000 2.408 255 L HA 0.940 5.280 4.340 -0.000 0.000 0.268 255 L C -0.289 176.379 176.870 -0.336 0.000 0.986 255 L CA 0.236 54.775 54.840 -0.501 0.000 0.820 255 L CB 1.965 43.525 42.059 -0.832 0.000 1.303 255 L HN 1.454 nan 8.230 nan 0.000 0.411 256 A N 3.361 126.189 122.820 0.014 0.000 2.604 256 A HA 0.776 5.096 4.320 -0.000 0.000 0.295 256 A C -1.434 176.300 177.584 0.250 0.000 1.067 256 A CA -0.134 52.014 52.037 0.185 0.000 0.683 256 A CB 1.431 20.555 19.000 0.207 0.000 1.281 256 A HN 1.185 nan 8.150 nan 0.000 0.407 257 V N -1.318 118.685 119.914 0.150 0.000 3.096 257 V HA 0.717 4.837 4.120 -0.000 0.000 0.319 257 V C 0.200 176.065 176.094 -0.383 0.000 1.103 257 V CA -0.852 61.410 62.300 -0.065 0.000 1.016 257 V CB 1.502 33.276 31.823 -0.083 0.000 1.090 257 V HN 0.971 nan 8.190 nan 0.000 0.449 258 E N 0.825 120.467 120.200 -0.929 0.000 2.344 258 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 258 E C 0.284 176.759 176.600 -0.208 0.000 1.021 258 E CA 0.245 56.183 56.400 -0.770 0.000 0.887 258 E CB 0.954 30.094 29.700 -0.933 0.000 0.997 258 E HN 1.074 nan 8.360 nan 0.000 0.429 259 G N 3.834 112.574 108.800 -0.100 0.000 2.477 259 G HA2 0.211 4.171 3.960 -0.000 0.000 0.304 259 G HA3 0.211 4.171 3.960 -0.000 0.000 0.304 259 G C -1.654 173.218 174.900 -0.046 0.000 1.175 259 G CA -0.983 44.040 45.100 -0.129 0.000 0.907 259 G HN 0.463 nan 8.290 nan 0.000 0.509 260 P HA 0.103 nan 4.420 nan 0.000 0.222 260 P C 0.828 178.137 177.300 0.016 0.000 1.153 260 P CA 1.294 64.418 63.100 0.039 0.000 0.798 260 P CB 0.284 32.002 31.700 0.030 0.000 0.796 261 G N -0.773 107.978 108.800 -0.082 0.000 2.907 261 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 261 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 261 G C 0.083 174.976 174.900 -0.012 0.000 1.115 261 G CA -0.415 44.635 45.100 -0.084 0.000 0.760 261 G HN 0.004 nan 8.290 nan 0.000 0.620 262 W N 1.111 122.468 121.300 0.096 0.000 2.246 262 W HA -0.282 4.378 4.660 -0.000 0.000 0.353 262 W C 2.994 179.657 176.519 0.240 0.000 1.487 262 W CA 3.350 60.753 57.345 0.097 0.000 1.470 262 W CB -0.868 28.547 29.460 -0.075 0.000 1.050 262 W HN 1.347 nan 8.180 nan 0.000 0.471 263 A N -0.531 122.559 122.820 0.450 0.000 1.927 263 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 263 A C 1.081 178.845 177.584 0.299 0.000 1.185 263 A CA 1.746 54.009 52.037 0.376 0.000 0.639 263 A CB -0.951 18.201 19.000 0.253 0.000 0.820 263 A HN 0.268 nan 8.150 nan 0.000 0.451 264 D N -0.600 119.934 120.400 0.225 0.000 2.450 264 D HA 0.139 4.779 4.640 -0.000 0.000 0.247 264 D C -1.602 174.797 176.300 0.165 0.000 1.162 264 D CA -1.437 52.660 54.000 0.162 0.000 0.879 264 D CB 1.065 41.934 40.800 0.116 0.000 1.163 264 D HN 0.044 nan 8.370 nan 0.000 0.472 265 P HA -0.082 nan 4.420 nan 0.000 0.218 265 P C 0.688 178.047 177.300 0.099 0.000 1.149 265 P CA 0.595 63.779 63.100 0.139 0.000 0.817 265 P CB 0.334 32.099 31.700 0.109 0.000 0.785 266 D N -0.877 119.559 120.400 0.060 0.000 2.228 266 D HA -0.171 4.469 4.640 -0.000 0.000 0.203 266 D C 1.600 177.847 176.300 -0.088 0.000 0.988 266 D CA 0.795 54.793 54.000 -0.003 0.000 0.864 266 D CB -0.770 40.037 40.800 0.011 0.000 0.928 266 D HN 0.174 nan 8.370 nan 0.000 0.469 267 N N 0.381 119.039 118.700 -0.070 0.000 2.258 267 N HA -0.121 4.619 4.740 -0.000 0.000 0.187 267 N C 1.922 177.406 175.510 -0.043 0.000 1.012 267 N CA 0.426 53.399 53.050 -0.129 0.000 0.870 267 N CB -0.028 38.454 38.487 -0.009 0.000 0.977 267 N HN 0.141 nan 8.380 nan 0.000 0.434 268 V N 0.706 120.652 119.914 0.054 0.000 2.307 268 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 268 V C 2.450 178.575 176.094 0.053 0.000 1.045 268 V CA 1.156 63.496 62.300 0.067 0.000 1.024 268 V CB -0.431 31.453 31.823 0.102 0.000 0.651 268 V HN 0.053 nan 8.190 nan 0.000 0.449 269 V N -0.280 119.644 119.914 0.016 0.000 2.307 269 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 269 V C 2.338 178.424 176.094 -0.013 0.000 1.045 269 V CA 1.802 64.105 62.300 0.006 0.000 1.024 269 V CB -0.615 31.200 31.823 -0.012 0.000 0.651 269 V HN 0.418 nan 8.190 nan 0.000 0.449 270 L N -0.563 120.594 121.223 -0.111 0.000 2.013 270 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 270 L C 2.565 179.498 176.870 0.105 0.000 1.073 270 L CA 2.211 56.987 54.840 -0.106 0.000 0.753 270 L CB -0.823 41.046 42.059 -0.316 0.000 0.890 270 L HN 0.429 nan 8.230 nan 0.000 0.432 271 H N -1.571 117.552 119.070 0.089 0.000 2.387 271 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 271 H C 2.283 177.665 175.328 0.091 0.000 1.090 271 H CA 1.233 57.331 56.048 0.084 0.000 1.332 271 H CB 0.094 29.857 29.762 0.001 0.000 1.386 271 H HN 0.055 nan 8.280 nan 0.000 0.516 272 V N 0.696 120.720 119.914 0.184 0.000 2.343 272 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 272 V C 2.577 178.757 176.094 0.142 0.000 1.051 272 V CA 1.611 63.993 62.300 0.137 0.000 1.036 272 V CB -0.866 31.012 31.823 0.093 0.000 0.654 272 V HN 0.575 nan 8.190 nan 0.000 0.451 273 A N 0.162 123.070 122.820 0.146 0.000 1.877 273 A HA -0.297 4.023 4.320 -0.000 0.000 0.216 273 A C 2.054 179.765 177.584 0.211 0.000 1.186 273 A CA 2.370 54.508 52.037 0.168 0.000 0.620 273 A CB -0.934 18.173 19.000 0.178 0.000 0.822 273 A HN 0.672 nan 8.150 nan 0.000 0.443 274 N N -0.210 118.635 118.700 0.242 0.000 2.289 274 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 274 N C 1.814 177.427 175.510 0.172 0.000 1.016 274 N CA 0.821 53.986 53.050 0.193 0.000 0.872 274 N CB -0.193 38.391 38.487 0.162 0.000 0.973 274 N HN 0.527 nan 8.380 nan 0.000 0.433 275 A N 0.894 123.818 122.820 0.174 0.000 1.969 275 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 275 A C 2.039 179.651 177.584 0.046 0.000 1.169 275 A CA 0.779 52.893 52.037 0.128 0.000 0.635 275 A CB -0.404 18.723 19.000 0.213 0.000 0.810 275 A HN 0.196 nan 8.150 nan 0.000 0.445 276 I N -0.412 120.209 120.570 0.084 0.000 2.179 276 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 276 I C 2.277 178.432 176.117 0.063 0.000 1.088 276 I CA 1.445 62.783 61.300 0.063 0.000 1.357 276 I CB -0.289 37.757 38.000 0.077 0.000 1.051 276 I HN 0.291 nan 8.210 nan 0.000 0.409 277 I N -0.114 120.515 120.570 0.098 0.000 2.333 277 I HA -0.047 4.123 4.170 -0.000 0.000 0.246 277 I C 1.782 178.012 176.117 0.188 0.000 1.106 277 I CA 0.835 62.199 61.300 0.106 0.000 1.411 277 I CB -0.852 37.203 38.000 0.092 0.000 1.082 277 I HN 0.470 nan 8.210 nan 0.000 0.420 278 G N 1.918 110.812 108.800 0.157 0.000 2.574 278 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.286 278 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.286 278 G C 0.166 175.177 174.900 0.186 0.000 1.212 278 G CA 0.587 45.761 45.100 0.123 0.000 0.979 278 G HN 0.616 nan 8.290 nan 0.000 0.557 279 R N -2.034 118.427 120.500 -0.066 0.000 2.781 279 R HA 0.786 5.126 4.340 -0.000 0.000 0.268 279 R C -1.099 174.685 176.300 -0.861 0.000 1.047 279 R CA -0.921 54.847 56.100 -0.554 0.000 0.925 279 R CB 1.533 31.719 30.300 -0.191 0.000 1.246 279 R HN 1.544 nan 8.270 nan 0.000 0.456 280 Y N 0.185 119.635 120.300 -1.418 0.000 2.677 280 Y HA 0.456 5.006 4.550 -0.000 0.000 0.334 280 Y C -2.330 172.877 175.900 -1.154 0.000 1.196 280 Y CA -0.555 56.630 58.100 -1.525 0.000 1.059 280 Y CB 2.370 40.187 38.460 -1.072 0.000 1.315 280 Y HN 1.042 nan 8.280 nan 0.000 0.455 281 D N 1.229 120.239 120.400 -2.316 0.000 2.745 281 D HA 0.262 4.902 4.640 -0.000 0.000 0.221 281 D C -0.714 174.857 176.300 -1.215 0.000 1.237 281 D CA -0.642 52.628 54.000 -1.217 0.000 0.781 281 D CB 1.293 41.821 40.800 -0.453 0.000 1.575 281 D HN 0.607 nan 8.370 nan 0.000 0.482 282 R N 0.454 120.596 120.500 -0.596 0.000 2.438 282 R HA -0.039 4.301 4.340 -0.000 0.000 0.227 282 R C 0.982 177.230 176.300 -0.087 0.000 1.153 282 R CA 1.697 57.654 56.100 -0.239 0.000 1.059 282 R CB -0.455 29.815 30.300 -0.051 0.000 0.831 282 R HN 0.638 nan 8.270 nan 0.000 0.487 283 T N -3.798 110.737 114.554 -0.033 0.000 3.044 283 T HA 0.154 4.504 4.350 -0.000 0.000 0.260 283 T C 0.138 174.923 174.700 0.142 0.000 1.019 283 T CA -0.499 61.640 62.100 0.065 0.000 0.921 283 T CB 0.100 68.997 68.868 0.048 0.000 1.053 283 T HN -0.157 nan 8.240 nan 0.000 0.533 284 F N 2.879 122.724 119.950 -0.175 0.000 2.494 284 F HA 0.530 5.057 4.527 -0.000 0.000 0.369 284 F C 1.765 177.568 175.800 0.005 0.000 1.098 284 F CA -1.041 56.911 58.000 -0.080 0.000 1.154 284 F CB 0.397 39.354 39.000 -0.072 0.000 1.103 284 F HN 0.217 nan 8.300 nan 0.000 0.549 285 G N 2.692 111.544 108.800 0.086 0.000 2.450 285 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 285 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 285 G C 1.862 176.827 174.900 0.109 0.000 1.130 285 G CA 0.709 45.854 45.100 0.075 0.000 0.760 285 G HN 0.855 nan 8.290 nan 0.000 0.557 286 G N 0.651 109.532 108.800 0.134 0.000 2.485 286 G HA2 0.181 4.141 3.960 -0.000 0.000 0.221 286 G HA3 0.181 4.141 3.960 -0.000 0.000 0.221 286 G C 1.512 176.503 174.900 0.152 0.000 1.115 286 G CA 1.047 46.238 45.100 0.152 0.000 0.751 286 G HN 1.225 nan 8.290 nan 0.000 0.567 287 G N 1.099 110.007 108.800 0.180 0.000 2.661 287 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.327 287 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.327 287 G C 1.255 176.145 174.900 -0.017 0.000 1.320 287 G CA 1.661 46.825 45.100 0.107 0.000 0.997 287 G HN 1.040 nan 8.290 nan 0.000 0.543 288 K N 0.098 120.400 120.400 -0.164 0.000 2.519 288 K HA -0.011 4.309 4.320 -0.000 0.000 0.196 288 K C 1.666 178.092 176.600 -0.291 0.000 1.041 288 K CA 2.148 58.268 56.287 -0.277 0.000 0.954 288 K CB -0.231 32.046 32.500 -0.371 0.000 0.774 288 K HN 0.743 nan 8.250 nan 0.000 0.480 289 H N 0.146 119.217 119.070 0.002 0.000 2.586 289 H HA 0.274 4.830 4.556 -0.000 0.000 0.273 289 H C -0.138 175.201 175.328 0.018 0.000 0.997 289 H CA -0.769 55.282 56.048 0.004 0.000 1.177 289 H CB 0.320 30.087 29.762 0.009 0.000 1.471 289 H HN -0.013 nan 8.280 nan 0.000 0.538 290 L N 0.745 122.036 121.223 0.114 0.000 2.514 290 L HA -0.073 4.267 4.340 -0.000 0.000 0.280 290 L C 1.216 178.127 176.870 0.069 0.000 1.223 290 L CA -0.000 54.903 54.840 0.105 0.000 0.864 290 L CB 0.802 42.931 42.059 0.116 0.000 1.118 290 L HN 0.278 nan 8.230 nan 0.000 0.494 291 S N 0.403 116.140 115.700 0.062 0.000 2.402 291 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 291 S C 1.003 175.619 174.600 0.027 0.000 1.021 291 S CA 0.674 58.898 58.200 0.039 0.000 0.974 291 S CB -0.043 63.177 63.200 0.032 0.000 0.800 291 S HN 0.728 nan 8.310 nan 0.000 0.484 292 S N 1.555 117.277 115.700 0.036 0.000 2.481 292 S HA 0.132 4.602 4.470 -0.000 0.000 0.282 292 S C 1.122 175.729 174.600 0.011 0.000 1.243 292 S CA -0.516 57.708 58.200 0.040 0.000 1.078 292 S CB 0.309 63.566 63.200 0.094 0.000 0.916 292 S HN 0.304 nan 8.310 nan 0.000 0.495 293 R N 3.011 123.503 120.500 -0.014 0.000 2.091 293 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 293 R C 2.070 178.317 176.300 -0.088 0.000 1.136 293 R CA 1.652 57.722 56.100 -0.049 0.000 0.959 293 R CB -0.498 29.768 30.300 -0.057 0.000 0.856 293 R HN 0.646 nan 8.270 nan 0.000 0.437 294 L N 0.723 121.878 121.223 -0.114 0.000 2.083 294 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 294 L C 2.186 178.993 176.870 -0.105 0.000 1.083 294 L CA 1.874 56.578 54.840 -0.227 0.000 0.752 294 L CB -0.632 41.128 42.059 -0.499 0.000 0.899 294 L HN 0.173 nan 8.230 nan 0.000 0.433 295 A N -0.586 122.263 122.820 0.050 0.000 1.898 295 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 295 A C 2.464 179.858 177.584 -0.317 0.000 1.181 295 A CA 1.734 53.709 52.037 -0.102 0.000 0.620 295 A CB -1.141 17.842 19.000 -0.029 0.000 0.819 295 A HN 0.548 nan 8.150 nan 0.000 0.442 296 A N -0.042 122.673 122.820 -0.175 0.000 1.865 296 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 296 A C 2.189 179.646 177.584 -0.212 0.000 1.191 296 A CA 1.628 53.557 52.037 -0.179 0.000 0.623 296 A CB -0.790 18.147 19.000 -0.106 0.000 0.826 296 A HN 0.473 nan 8.150 nan 0.000 0.444 297 L N -0.691 120.437 121.223 -0.159 0.000 2.012 297 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 297 L C 3.130 179.916 176.870 -0.139 0.000 1.073 297 L CA 1.234 56.021 54.840 -0.089 0.000 0.748 297 L CB -0.678 41.359 42.059 -0.037 0.000 0.891 297 L HN 0.460 nan 8.230 nan 0.000 0.431 298 A N -0.299 122.377 122.820 -0.240 0.000 1.892 298 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 298 A C 2.337 179.727 177.584 -0.323 0.000 1.188 298 A CA 2.256 54.115 52.037 -0.297 0.000 0.631 298 A CB -0.927 17.820 19.000 -0.423 0.000 0.822 298 A HN 0.214 nan 8.150 nan 0.000 0.447 299 V N -0.196 119.465 119.914 -0.422 0.000 2.270 299 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 299 V C 2.541 178.490 176.094 -0.240 0.000 1.043 299 V CA 2.221 64.342 62.300 -0.299 0.000 1.014 299 V CB -0.800 30.860 31.823 -0.273 0.000 0.645 299 V HN 0.788 nan 8.190 nan 0.000 0.447 300 E N -0.235 119.782 120.200 -0.304 0.000 2.049 300 E HA -0.271 4.079 4.350 -0.000 0.000 0.198 300 E C 1.879 178.200 176.600 -0.464 0.000 1.007 300 E CA 1.790 57.940 56.400 -0.416 0.000 0.809 300 E CB -0.114 29.243 29.700 -0.572 0.000 0.749 300 E HN 0.724 nan 8.360 nan 0.000 0.450 301 H N 0.026 119.017 119.070 -0.132 0.000 2.529 301 H HA 0.139 4.695 4.556 0.000 0.000 0.277 301 H C 0.006 175.261 175.328 -0.121 0.000 1.004 301 H CA 0.331 56.307 56.048 -0.119 0.000 1.167 301 H CB 0.577 30.266 29.762 -0.121 0.000 1.445 301 H HN 0.075 nan 8.280 nan 0.000 0.554 302 K N 0.863 121.226 120.400 -0.062 0.000 3.257 302 K HA -0.183 4.137 4.320 -0.000 0.000 0.270 302 K C 0.987 177.539 176.600 -0.080 0.000 0.984 302 K CA 0.126 56.366 56.287 -0.077 0.000 0.739 302 K CB -1.997 30.464 32.500 -0.066 0.000 1.351 302 K HN 0.407 nan 8.250 nan 0.000 0.463 303 L N -1.452 119.712 121.223 -0.097 0.000 2.313 303 L HA -0.063 4.277 4.340 -0.000 0.000 0.214 303 L C 1.375 178.154 176.870 -0.151 0.000 1.119 303 L CA 1.092 55.850 54.840 -0.137 0.000 0.809 303 L CB -0.050 41.897 42.059 -0.187 0.000 0.933 303 L HN 0.658 nan 8.230 nan 0.000 0.449 304 C N -5.428 113.818 119.300 -0.090 0.000 3.253 304 C HA 0.243 4.703 4.460 -0.000 0.000 0.342 304 C C 1.341 176.357 174.990 0.043 0.000 1.306 304 C CA -1.024 57.989 59.018 -0.008 0.000 1.207 304 C CB 0.908 28.645 27.740 -0.004 0.000 1.479 304 C HN 0.161 nan 8.230 nan 0.000 0.469 305 H N 0.943 120.053 119.070 0.066 0.000 2.482 305 H HA 0.196 4.752 4.556 -0.000 0.000 0.286 305 H C 1.041 176.373 175.328 0.006 0.000 1.017 305 H CA 1.837 57.911 56.048 0.043 0.000 1.322 305 H CB 0.443 30.213 29.762 0.013 0.000 1.426 305 H HN 0.988 nan 8.280 nan 0.000 0.546 306 S N -0.382 115.419 115.700 0.169 0.000 2.633 306 S HA 0.413 4.883 4.470 -0.000 0.000 0.271 306 S C -1.478 173.243 174.600 0.203 0.000 1.112 306 S CA -1.052 57.183 58.200 0.058 0.000 0.828 306 S CB 1.679 64.867 63.200 -0.020 0.000 1.086 306 S HN 0.224 nan 8.310 nan 0.000 0.461 307 F N -0.671 119.329 119.950 0.083 0.000 2.678 307 F HA 0.829 5.356 4.527 -0.000 0.000 0.308 307 F C -1.653 174.243 175.800 0.160 0.000 1.118 307 F CA -0.721 57.361 58.000 0.136 0.000 0.959 307 F CB 1.187 40.242 39.000 0.092 0.000 1.305 307 F HN 0.995 nan 8.300 nan 0.000 0.443 308 Q N 1.158 121.318 119.800 0.600 0.000 2.377 308 Q HA 0.677 5.017 4.340 -0.000 0.000 0.279 308 Q C -1.574 174.762 176.000 0.559 0.000 1.049 308 Q CA -0.965 55.126 55.803 0.480 0.000 0.825 308 Q CB 2.585 31.581 28.738 0.430 0.000 1.401 308 Q HN 0.901 nan 8.270 nan 0.000 0.404 309 T N -0.565 114.228 114.554 0.399 0.000 2.929 309 T HA 0.834 5.184 4.350 -0.000 0.000 0.284 309 T C -0.398 174.426 174.700 0.208 0.000 1.014 309 T CA -0.599 61.617 62.100 0.193 0.000 1.051 309 T CB 0.664 69.611 68.868 0.132 0.000 1.028 309 T HN 0.611 nan 8.240 nan 0.000 0.485 310 F N -0.615 119.377 119.950 0.071 0.000 2.654 310 F HA 0.737 5.263 4.527 -0.000 0.000 0.308 310 F C -1.009 174.744 175.800 -0.078 0.000 1.108 310 F CA -1.264 56.777 58.000 0.069 0.000 0.957 310 F CB 1.628 40.738 39.000 0.183 0.000 1.309 310 F HN 0.581 nan 8.300 nan 0.000 0.446 311 N N 1.186 120.041 118.700 0.259 0.000 2.791 311 N HA 0.241 4.981 4.740 -0.000 0.000 0.265 311 N C -1.505 174.068 175.510 0.105 0.000 1.580 311 N CA -0.149 52.969 53.050 0.114 0.000 0.809 311 N CB 1.030 39.435 38.487 -0.138 0.000 1.178 311 N HN 0.731 nan 8.380 nan 0.000 0.499 312 T N 1.311 115.964 114.554 0.164 0.000 2.799 312 T HA 0.208 4.558 4.350 -0.000 0.000 0.296 312 T C -0.010 174.438 174.700 -0.419 0.000 0.947 312 T CA 0.320 62.361 62.100 -0.098 0.000 1.141 312 T CB 0.321 69.146 68.868 -0.071 0.000 0.891 312 T HN 0.255 nan 8.240 nan 0.000 0.533 313 S N 2.659 117.916 115.700 -0.738 0.000 2.651 313 S HA 0.728 5.198 4.470 -0.000 0.000 0.291 313 S C -0.969 172.916 174.600 -1.192 0.000 1.141 313 S CA -0.629 56.865 58.200 -1.176 0.000 1.027 313 S CB 0.830 62.790 63.200 -2.067 0.000 1.043 313 S HN 0.653 nan 8.310 nan 0.000 0.530 314 Y N -0.571 119.362 120.300 -0.613 0.000 2.677 314 Y HA 0.196 4.746 4.550 -0.000 0.000 0.334 314 Y C 1.720 177.635 175.900 0.024 0.000 1.154 314 Y CA -1.086 56.956 58.100 -0.096 0.000 1.070 314 Y CB 1.224 39.684 38.460 -0.001 0.000 1.294 314 Y HN 0.749 nan 8.280 nan 0.000 0.475 315 S N -0.011 115.978 115.700 0.482 0.000 2.369 315 S HA -0.254 4.216 4.470 -0.000 0.000 0.225 315 S C 0.958 175.693 174.600 0.225 0.000 1.043 315 S CA 2.131 60.559 58.200 0.380 0.000 1.074 315 S CB -0.415 62.937 63.200 0.253 0.000 0.962 315 S HN 0.873 nan 8.310 nan 0.000 0.433 316 D N -0.269 120.224 120.400 0.155 0.000 2.398 316 D HA 0.260 4.900 4.640 -0.000 0.000 0.210 316 D C 0.803 177.171 176.300 0.114 0.000 1.094 316 D CA 0.378 54.446 54.000 0.114 0.000 0.839 316 D CB 0.555 41.401 40.800 0.077 0.000 0.963 316 D HN 0.469 nan 8.370 nan 0.000 0.506 317 T N -1.803 112.830 114.554 0.132 0.000 2.646 317 T HA 0.589 4.939 4.350 -0.000 0.000 0.297 317 T C -1.290 173.499 174.700 0.148 0.000 1.363 317 T CA 0.199 62.398 62.100 0.165 0.000 1.056 317 T CB 1.255 70.270 68.868 0.245 0.000 1.779 317 T HN 0.372 nan 8.240 nan 0.000 0.459 318 G N -0.064 108.896 108.800 0.267 0.000 2.320 318 G HA2 0.453 4.413 3.960 -0.000 0.000 0.297 318 G HA3 0.453 4.413 3.960 -0.000 0.000 0.297 318 G C -2.444 172.585 174.900 0.215 0.000 1.344 318 G CA -0.722 44.461 45.100 0.137 0.000 0.851 318 G HN 0.739 nan 8.290 nan 0.000 0.567 319 L N 0.294 121.608 121.223 0.152 0.000 2.376 319 L HA 0.635 4.974 4.340 -0.000 0.000 0.275 319 L C -1.283 175.770 176.870 0.305 0.000 0.987 319 L CA -0.676 54.302 54.840 0.230 0.000 0.828 319 L CB 2.108 44.344 42.059 0.295 0.000 1.249 319 L HN 0.538 nan 8.230 nan 0.000 0.409 320 F N 2.920 122.875 119.950 0.009 0.000 2.427 320 F HA 0.788 5.315 4.527 -0.000 0.000 0.348 320 F C 0.222 175.936 175.800 -0.142 0.000 1.125 320 F CA -0.012 57.918 58.000 -0.116 0.000 0.989 320 F CB 1.420 40.275 39.000 -0.242 0.000 1.165 320 F HN 0.466 nan 8.300 nan 0.000 0.442 321 G N 4.254 112.526 108.800 -0.879 0.000 2.588 321 G HA2 0.511 4.471 3.960 -0.000 0.000 0.281 321 G HA3 0.511 4.471 3.960 -0.000 0.000 0.281 321 G C -1.819 172.498 174.900 -0.971 0.000 1.223 321 G CA -0.280 44.475 45.100 -0.576 0.000 0.871 321 G HN 0.810 nan 8.290 nan 0.000 0.492 322 F N -1.073 118.532 119.950 -0.576 0.000 2.668 322 F HA 0.829 5.356 4.527 -0.000 0.000 0.309 322 F C -1.164 174.727 175.800 0.151 0.000 1.117 322 F CA -1.245 56.623 58.000 -0.219 0.000 0.951 322 F CB 1.855 40.709 39.000 -0.244 0.000 1.323 322 F HN 0.768 nan 8.300 nan 0.000 0.451 323 H N 1.901 121.264 119.070 0.488 0.000 2.771 323 H HA 0.657 5.213 4.556 -0.000 0.000 0.361 323 H C -2.222 173.355 175.328 0.415 0.000 1.108 323 H CA -0.848 55.374 56.048 0.290 0.000 1.201 323 H CB 2.385 32.337 29.762 0.315 0.000 1.681 323 H HN 0.822 nan 8.280 nan 0.000 0.534 324 F N 2.049 121.815 119.950 -0.307 0.000 2.626 324 F HA 0.641 5.168 4.527 -0.000 0.000 0.311 324 F C -2.022 173.500 175.800 -0.465 0.000 1.088 324 F CA -1.076 56.764 58.000 -0.265 0.000 0.949 324 F CB 0.902 39.898 39.000 -0.008 0.000 1.322 324 F HN 0.136 nan 8.300 nan 0.000 0.461 325 V N 2.036 121.967 119.914 0.029 0.000 2.444 325 V HA 0.910 5.030 4.120 -0.000 0.000 0.294 325 V C -0.267 175.940 176.094 0.188 0.000 1.022 325 V CA -0.241 61.974 62.300 -0.141 0.000 0.850 325 V CB 0.645 32.266 31.823 -0.336 0.000 0.992 325 V HN 1.300 nan 8.190 nan 0.000 0.426 326 A N 3.436 126.399 122.820 0.238 0.000 2.569 326 A HA 0.762 5.082 4.320 -0.000 0.000 0.290 326 A C -1.100 176.628 177.584 0.241 0.000 1.136 326 A CA -0.782 51.420 52.037 0.276 0.000 0.710 326 A CB 1.312 20.407 19.000 0.158 0.000 1.303 326 A HN 0.666 nan 8.150 nan 0.000 0.413 327 D N 1.731 122.268 120.400 0.228 0.000 2.341 327 D HA 0.236 4.876 4.640 -0.000 0.000 0.245 327 D C -1.316 175.052 176.300 0.113 0.000 1.106 327 D CA -0.930 53.174 54.000 0.174 0.000 0.905 327 D CB 0.949 41.839 40.800 0.149 0.000 1.202 327 D HN 0.250 nan 8.370 nan 0.000 0.426 328 P HA -0.179 nan 4.420 nan 0.000 0.218 328 P C 1.274 178.608 177.300 0.056 0.000 1.152 328 P CA 1.183 64.328 63.100 0.076 0.000 0.857 328 P CB 0.295 32.031 31.700 0.061 0.000 0.787 329 L N -0.568 120.679 121.223 0.041 0.000 2.612 329 L HA 0.088 4.428 4.340 -0.000 0.000 0.230 329 L C 1.720 178.589 176.870 -0.002 0.000 1.140 329 L CA 0.724 55.574 54.840 0.017 0.000 0.896 329 L CB -0.509 41.555 42.059 0.008 0.000 1.065 329 L HN 0.114 nan 8.230 nan 0.000 0.447 330 S N -2.576 113.127 115.700 0.004 0.000 2.666 330 S HA 0.217 4.687 4.470 -0.000 0.000 0.239 330 S C 1.452 176.020 174.600 -0.053 0.000 1.031 330 S CA -0.406 57.771 58.200 -0.038 0.000 1.015 330 S CB 0.033 63.203 63.200 -0.051 0.000 0.981 330 S HN 0.232 nan 8.310 nan 0.000 0.547 331 I N 2.291 122.874 120.570 0.022 0.000 2.127 331 I HA -0.202 3.968 4.170 -0.000 0.000 0.241 331 I C 2.565 178.704 176.117 0.037 0.000 1.075 331 I CA 2.040 63.395 61.300 0.092 0.000 1.334 331 I CB -0.536 37.572 38.000 0.181 0.000 1.040 331 I HN 0.306 nan 8.210 nan 0.000 0.405 332 D N 1.078 121.491 120.400 0.021 0.000 2.104 332 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 332 D C 1.819 178.106 176.300 -0.022 0.000 0.994 332 D CA 1.544 55.549 54.000 0.009 0.000 0.830 332 D CB -0.047 40.742 40.800 -0.018 0.000 0.959 332 D HN 0.249 nan 8.370 nan 0.000 0.452 333 D N -0.649 119.699 120.400 -0.086 0.000 2.144 333 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 333 D C 1.978 178.207 176.300 -0.118 0.000 0.978 333 D CA 0.631 54.567 54.000 -0.107 0.000 0.833 333 D CB -0.265 40.432 40.800 -0.171 0.000 0.961 333 D HN 0.269 nan 8.370 nan 0.000 0.470 334 M N 0.593 120.037 119.600 -0.259 0.000 2.065 334 M HA -0.175 4.305 4.480 -0.000 0.000 0.259 334 M C 2.115 178.130 176.300 -0.475 0.000 1.069 334 M CA 1.338 56.331 55.300 -0.513 0.000 1.110 334 M CB -0.454 31.571 32.600 -0.958 0.000 1.328 334 M HN -0.054 nan 8.290 nan 0.000 0.405 335 M N -0.290 119.151 119.600 -0.266 0.000 2.082 335 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 335 M C 1.926 178.172 176.300 -0.091 0.000 1.069 335 M CA 1.922 57.222 55.300 -0.000 0.000 1.102 335 M CB -1.021 31.692 32.600 0.190 0.000 1.336 335 M HN 0.437 nan 8.290 nan 0.000 0.404 336 F N 0.168 120.012 119.950 -0.176 0.000 2.065 336 F HA -0.303 4.224 4.527 -0.000 0.000 0.298 336 F C 2.216 177.882 175.800 -0.223 0.000 1.112 336 F CA 2.261 60.156 58.000 -0.174 0.000 1.212 336 F CB -0.894 38.007 39.000 -0.165 0.000 0.975 336 F HN 0.313 nan 8.300 nan 0.000 0.476 337 C N 0.530 119.691 119.300 -0.231 0.000 2.446 337 C HA -0.020 4.440 4.460 -0.000 0.000 0.277 337 C C 3.118 177.813 174.990 -0.492 0.000 1.275 337 C CA 0.804 59.611 59.018 -0.351 0.000 1.727 337 C CB -1.908 25.690 27.740 -0.237 0.000 2.010 337 C HN 0.674 nan 8.230 nan 0.000 0.486 338 A N 0.725 123.189 122.820 -0.595 0.000 1.849 338 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 338 A C 2.097 179.215 177.584 -0.777 0.000 1.202 338 A CA 1.983 53.483 52.037 -0.895 0.000 0.629 338 A CB -0.905 17.384 19.000 -1.183 0.000 0.834 338 A HN 0.735 nan 8.150 nan 0.000 0.447 339 Q N -0.900 118.582 119.800 -0.529 0.000 2.181 339 Q HA -0.147 4.193 4.340 -0.000 0.000 0.205 339 Q C 2.156 178.013 176.000 -0.238 0.000 0.980 339 Q CA 1.131 56.760 55.803 -0.291 0.000 0.862 339 Q CB -0.495 28.143 28.738 -0.167 0.000 0.905 339 Q HN 0.731 nan 8.270 nan 0.000 0.429 340 G N 1.219 109.775 108.800 -0.407 0.000 2.440 340 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 340 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 340 G C 1.277 176.055 174.900 -0.202 0.000 1.154 340 G CA 0.600 45.477 45.100 -0.371 0.000 0.767 340 G HN 0.202 nan 8.290 nan 0.000 0.552 341 E N -0.106 119.955 120.200 -0.232 0.000 2.204 341 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 341 E C 2.142 178.795 176.600 0.089 0.000 0.989 341 E CA 0.425 56.753 56.400 -0.120 0.000 0.824 341 E CB -0.240 29.328 29.700 -0.220 0.000 0.756 341 E HN 0.595 nan 8.360 nan 0.000 0.477 342 W N 0.490 121.730 121.300 -0.099 0.000 2.381 342 W HA -0.039 4.621 4.660 -0.000 0.000 0.301 342 W C 2.068 178.609 176.519 0.037 0.000 1.205 342 W CA 0.669 58.024 57.345 0.016 0.000 1.285 342 W CB -0.558 28.949 29.460 0.078 0.000 1.133 342 W HN 0.081 nan 8.180 nan 0.000 0.521 343 M N -0.484 119.260 119.600 0.241 0.000 2.213 343 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 343 M C 1.960 178.327 176.300 0.111 0.000 1.062 343 M CA 1.306 56.713 55.300 0.179 0.000 1.105 343 M CB -1.396 31.267 32.600 0.103 0.000 1.385 343 M HN 0.038 nan 8.290 nan 0.000 0.417 344 R N 0.019 120.555 120.500 0.060 0.000 2.092 344 R HA -0.050 4.290 4.340 -0.000 0.000 0.231 344 R C 2.261 178.592 176.300 0.050 0.000 1.119 344 R CA 0.994 57.109 56.100 0.024 0.000 0.970 344 R CB -0.300 29.996 30.300 -0.006 0.000 0.864 344 R HN 0.341 nan 8.270 nan 0.000 0.440 345 L N -0.219 121.057 121.223 0.088 0.000 2.012 345 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 345 L C 2.513 179.414 176.870 0.052 0.000 1.073 345 L CA 1.306 56.194 54.840 0.080 0.000 0.748 345 L CB -0.373 41.754 42.059 0.113 0.000 0.891 345 L HN 0.368 nan 8.230 nan 0.000 0.431 346 C N -1.468 117.873 119.300 0.069 0.000 2.450 346 C HA -0.072 4.388 4.460 -0.000 0.000 0.279 346 C C 2.778 177.779 174.990 0.018 0.000 1.335 346 C CA 1.152 60.197 59.018 0.046 0.000 1.749 346 C CB -1.014 26.796 27.740 0.116 0.000 1.963 346 C HN 0.689 nan 8.230 nan 0.000 0.501 347 T N -2.135 112.442 114.554 0.038 0.000 2.978 347 T HA 0.064 4.414 4.350 -0.000 0.000 0.248 347 T C 0.875 175.581 174.700 0.009 0.000 1.018 347 T CA 0.975 63.088 62.100 0.021 0.000 1.026 347 T CB -0.162 68.734 68.868 0.045 0.000 1.032 347 T HN 0.457 nan 8.240 nan 0.000 0.485 348 S N 0.852 116.557 115.700 0.008 0.000 2.825 348 S HA 0.327 4.797 4.470 -0.000 0.000 0.242 348 S C -0.122 174.480 174.600 0.004 0.000 0.980 348 S CA -0.637 57.562 58.200 -0.000 0.000 1.107 348 S CB -0.048 63.143 63.200 -0.016 0.000 1.172 348 S HN 0.283 nan 8.310 nan 0.000 0.483 349 T N 3.381 117.943 114.554 0.012 0.000 2.926 349 T HA 0.387 4.737 4.350 -0.000 0.000 0.307 349 T C 0.269 174.977 174.700 0.013 0.000 1.059 349 T CA 0.361 62.471 62.100 0.017 0.000 1.122 349 T CB 0.808 69.690 68.868 0.024 0.000 0.972 349 T HN 0.440 nan 8.240 nan 0.000 0.545 350 T N 2.665 117.227 114.554 0.014 0.000 2.918 350 T HA 0.245 4.595 4.350 -0.000 0.000 0.286 350 T C 1.266 175.976 174.700 0.017 0.000 1.026 350 T CA -0.923 61.184 62.100 0.012 0.000 1.031 350 T CB 1.635 70.508 68.868 0.009 0.000 1.046 350 T HN 0.489 nan 8.240 nan 0.000 0.479 351 E N 1.243 121.452 120.200 0.015 0.000 2.110 351 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 351 E C 2.297 178.909 176.600 0.019 0.000 0.988 351 E CA 1.103 57.514 56.400 0.018 0.000 0.804 351 E CB -0.296 29.414 29.700 0.016 0.000 0.745 351 E HN 0.593 nan 8.360 nan 0.000 0.458 352 S N 1.374 117.083 115.700 0.016 0.000 2.368 352 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 352 S C 1.885 176.498 174.600 0.021 0.000 1.030 352 S CA 1.155 59.365 58.200 0.016 0.000 0.999 352 S CB -0.233 62.974 63.200 0.012 0.000 0.844 352 S HN 0.337 nan 8.310 nan 0.000 0.459 353 E N 0.929 121.142 120.200 0.022 0.000 2.031 353 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 353 E C 2.469 179.091 176.600 0.037 0.000 0.994 353 E CA 1.536 57.953 56.400 0.028 0.000 0.800 353 E CB -0.516 29.200 29.700 0.027 0.000 0.752 353 E HN 0.553 nan 8.360 nan 0.000 0.447 354 V N 0.338 120.274 119.914 0.037 0.000 2.343 354 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 354 V C 2.307 178.428 176.094 0.045 0.000 1.051 354 V CA 1.664 63.990 62.300 0.045 0.000 1.036 354 V CB -0.587 31.260 31.823 0.040 0.000 0.654 354 V HN 0.092 nan 8.190 nan 0.000 0.451 355 K N 0.777 121.198 120.400 0.036 0.000 2.044 355 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 355 K C 2.517 179.139 176.600 0.036 0.000 1.049 355 K CA 2.472 58.778 56.287 0.032 0.000 0.927 355 K CB -0.380 32.134 32.500 0.024 0.000 0.713 355 K HN 0.583 nan 8.250 nan 0.000 0.443 356 R N -0.133 120.390 120.500 0.038 0.000 2.073 356 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 356 R C 2.254 178.599 176.300 0.074 0.000 1.120 356 R CA 1.206 57.334 56.100 0.047 0.000 0.967 356 R CB -0.280 30.043 30.300 0.038 0.000 0.862 356 R HN 0.235 nan 8.270 nan 0.000 0.436 357 A N 1.425 124.289 122.820 0.073 0.000 1.948 357 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 357 A C 1.981 179.639 177.584 0.122 0.000 1.177 357 A CA 1.811 53.909 52.037 0.101 0.000 0.636 357 A CB -0.331 18.721 19.000 0.087 0.000 0.815 357 A HN 0.360 nan 8.150 nan 0.000 0.449 358 K N -0.310 120.141 120.400 0.085 0.000 2.002 358 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 358 K C 1.841 178.474 176.600 0.055 0.000 1.048 358 K CA 1.389 57.717 56.287 0.069 0.000 0.930 358 K CB -0.262 32.271 32.500 0.055 0.000 0.714 358 K HN 0.409 nan 8.250 nan 0.000 0.438 359 N N 0.602 119.329 118.700 0.044 0.000 2.149 359 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 359 N C 1.822 177.348 175.510 0.027 0.000 1.019 359 N CA 1.421 54.476 53.050 0.008 0.000 0.857 359 N CB -0.429 38.059 38.487 0.000 0.000 0.997 359 N HN 0.345 nan 8.380 nan 0.000 0.426 360 H N 0.424 119.495 119.070 0.001 0.000 2.357 360 H HA -0.002 4.554 4.556 -0.000 0.000 0.301 360 H C 2.022 177.354 175.328 0.007 0.000 1.082 360 H CA 1.086 57.140 56.048 0.010 0.000 1.342 360 H CB -0.291 29.490 29.762 0.033 0.000 1.389 360 H HN 0.064 nan 8.280 nan 0.000 0.511 361 L N 0.680 121.923 121.223 0.034 0.000 2.046 361 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 361 L C 2.304 179.125 176.870 -0.082 0.000 1.077 361 L CA 1.545 56.366 54.840 -0.032 0.000 0.747 361 L CB -0.537 41.538 42.059 0.027 0.000 0.896 361 L HN 0.198 nan 8.230 nan 0.000 0.432 362 R N -0.992 119.486 120.500 -0.036 0.000 2.080 362 R HA -0.152 4.188 4.340 -0.000 0.000 0.236 362 R C 2.245 178.526 176.300 -0.031 0.000 1.137 362 R CA 1.738 57.838 56.100 0.000 0.000 0.943 362 R CB -0.797 29.506 30.300 0.006 0.000 0.846 362 R HN 0.380 nan 8.270 nan 0.000 0.431 363 S N 0.768 116.413 115.700 -0.093 0.000 2.383 363 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 363 S C 2.088 176.611 174.600 -0.128 0.000 1.030 363 S CA 1.272 59.408 58.200 -0.106 0.000 1.002 363 S CB -0.218 62.897 63.200 -0.141 0.000 0.829 363 S HN 0.499 nan 8.310 nan 0.000 0.467 364 A N 2.511 125.206 122.820 -0.207 0.000 1.877 364 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 364 A C 2.247 179.770 177.584 -0.102 0.000 1.186 364 A CA 1.899 53.825 52.037 -0.185 0.000 0.620 364 A CB -0.800 18.063 19.000 -0.229 0.000 0.822 364 A HN 0.690 nan 8.150 nan 0.000 0.443 365 M N -1.144 118.402 119.600 -0.090 0.000 2.117 365 M HA -0.062 4.417 4.480 -0.000 0.000 0.262 365 M C 1.822 178.135 176.300 0.022 0.000 1.065 365 M CA 2.132 57.405 55.300 -0.046 0.000 1.114 365 M CB -0.871 31.698 32.600 -0.053 0.000 1.361 365 M HN 0.020 nan 8.290 nan 0.000 0.408 366 V N 1.893 121.827 119.914 0.034 0.000 2.295 366 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 366 V C 3.041 179.147 176.094 0.021 0.000 1.049 366 V CA 2.162 64.493 62.300 0.052 0.000 1.024 366 V CB -1.406 30.461 31.823 0.074 0.000 0.648 366 V HN 0.696 nan 8.190 nan 0.000 0.447 367 A N -0.972 121.845 122.820 -0.005 0.000 2.125 367 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 367 A C 2.055 179.636 177.584 -0.004 0.000 1.156 367 A CA 1.396 53.427 52.037 -0.011 0.000 0.671 367 A CB -0.443 18.538 19.000 -0.033 0.000 0.794 367 A HN 0.681 nan 8.150 nan 0.000 0.459 368 Q N -0.908 118.892 119.800 -0.001 0.000 2.444 368 Q HA 0.181 4.521 4.340 -0.000 0.000 0.206 368 Q C -0.054 175.948 176.000 0.004 0.000 0.948 368 Q CA 0.351 56.158 55.803 0.006 0.000 0.946 368 Q CB 0.051 28.798 28.738 0.015 0.000 1.027 368 Q HN 0.651 nan 8.270 nan 0.000 0.513 369 L N 0.502 121.729 121.223 0.006 0.000 3.083 369 L HA 0.317 4.657 4.340 -0.000 0.000 0.286 369 L C -0.525 176.345 176.870 0.000 0.000 1.307 369 L CA -0.353 54.484 54.840 -0.005 0.000 0.897 369 L CB 0.519 42.576 42.059 -0.003 0.000 1.306 369 L HN -0.110 nan 8.230 nan 0.000 0.569 370 D N 1.627 122.029 120.400 0.004 0.000 2.505 370 D HA 0.556 5.196 4.640 -0.000 0.000 0.242 370 D C 0.423 176.731 176.300 0.013 0.000 1.136 370 D CA 0.382 54.387 54.000 0.009 0.000 0.954 370 D CB 0.644 41.450 40.800 0.009 0.000 1.002 370 D HN 0.434 nan 8.370 nan 0.000 0.512 371 G N 0.885 109.692 108.800 0.011 0.000 2.355 371 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.619 371 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.619 371 G C 0.855 175.765 174.900 0.016 0.000 1.337 371 G CA -0.082 45.030 45.100 0.020 0.000 0.993 371 G HN 0.281 nan 8.290 nan 0.000 0.599 372 T N -2.881 111.691 114.554 0.029 0.000 2.809 372 T HA -0.011 4.339 4.350 -0.000 0.000 0.260 372 T C 2.374 177.094 174.700 0.034 0.000 1.039 372 T CA 2.721 64.838 62.100 0.029 0.000 1.141 372 T CB -0.806 68.089 68.868 0.045 0.000 0.869 372 T HN 0.831 nan 8.240 nan 0.000 0.437 373 T N 3.429 118.019 114.554 0.061 0.000 2.635 373 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 373 T C -0.284 174.406 174.700 -0.017 0.000 1.040 373 T CA 1.789 63.914 62.100 0.042 0.000 1.156 373 T CB -1.380 67.544 68.868 0.093 0.000 0.863 373 T HN 0.486 nan 8.240 nan 0.000 0.430 374 P HA 0.061 nan 4.420 nan 0.000 0.221 374 P C 1.554 178.814 177.300 -0.068 0.000 1.150 374 P CA 0.700 63.785 63.100 -0.024 0.000 0.800 374 P CB -0.178 31.521 31.700 -0.002 0.000 0.787 375 V N -0.073 119.802 119.914 -0.066 0.000 2.453 375 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 375 V C 2.963 178.948 176.094 -0.182 0.000 1.048 375 V CA 1.663 63.899 62.300 -0.106 0.000 1.049 375 V CB -1.441 30.339 31.823 -0.071 0.000 0.672 375 V HN 0.221 nan 8.190 nan 0.000 0.457 376 C N 0.358 119.562 119.300 -0.159 0.000 2.446 376 C HA -0.126 4.334 4.460 -0.000 0.000 0.277 376 C C 2.893 177.465 174.990 -0.696 0.000 1.275 376 C CA 1.585 60.444 59.018 -0.264 0.000 1.727 376 C CB -0.526 27.219 27.740 0.009 0.000 2.010 376 C HN 0.710 nan 8.230 nan 0.000 0.486 377 E N 0.418 120.355 120.200 -0.438 0.000 2.085 377 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 377 E C 2.043 178.313 176.600 -0.550 0.000 0.994 377 E CA 2.433 58.569 56.400 -0.440 0.000 0.801 377 E CB -0.494 29.205 29.700 -0.002 0.000 0.743 377 E HN 0.609 nan 8.360 nan 0.000 0.453 378 T N 0.527 114.854 114.554 -0.377 0.000 2.708 378 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 378 T C 1.893 176.297 174.700 -0.493 0.000 1.037 378 T CA 1.505 63.394 62.100 -0.352 0.000 1.146 378 T CB -0.273 68.397 68.868 -0.331 0.000 0.865 378 T HN 0.160 nan 8.240 nan 0.000 0.435 379 I N 1.066 121.333 120.570 -0.504 0.000 2.142 379 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 379 I C 2.924 178.783 176.117 -0.430 0.000 1.078 379 I CA 1.381 62.436 61.300 -0.408 0.000 1.343 379 I CB -0.876 36.934 38.000 -0.318 0.000 1.046 379 I HN 0.323 nan 8.210 nan 0.000 0.405 380 G N 0.128 108.437 108.800 -0.818 0.000 2.476 380 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 380 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 380 G C 1.761 176.383 174.900 -0.464 0.000 1.164 380 G CA 1.216 45.808 45.100 -0.847 0.000 0.768 380 G HN 0.376 nan 8.290 nan 0.000 0.560 381 S N -0.404 114.998 115.700 -0.497 0.000 2.345 381 S HA -0.048 4.422 4.470 -0.000 0.000 0.220 381 S C 1.930 176.420 174.600 -0.183 0.000 1.031 381 S CA 0.892 58.944 58.200 -0.246 0.000 0.996 381 S CB -0.548 62.546 63.200 -0.178 0.000 0.882 381 S HN 0.579 nan 8.310 nan 0.000 0.445 382 H N 1.080 120.020 119.070 -0.217 0.000 2.289 382 H HA -0.099 4.457 4.556 -0.000 0.000 0.296 382 H C 2.180 177.468 175.328 -0.067 0.000 1.091 382 H CA 1.560 57.587 56.048 -0.034 0.000 1.274 382 H CB -0.318 29.485 29.762 0.068 0.000 1.364 382 H HN 0.228 nan 8.280 nan 0.000 0.490 383 L N 0.031 121.283 121.223 0.048 0.000 1.970 383 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 383 L C 2.665 179.519 176.870 -0.026 0.000 1.071 383 L CA 0.780 55.627 54.840 0.011 0.000 0.751 383 L CB -0.404 41.648 42.059 -0.011 0.000 0.889 383 L HN 0.202 nan 8.230 nan 0.000 0.432 384 L N -0.010 121.180 121.223 -0.056 0.000 2.127 384 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 384 L C 2.125 178.917 176.870 -0.131 0.000 1.089 384 L CA 1.830 56.640 54.840 -0.052 0.000 0.757 384 L CB -0.699 41.353 42.059 -0.012 0.000 0.899 384 L HN 0.341 nan 8.230 nan 0.000 0.434 385 N N -2.687 115.820 118.700 -0.322 0.000 2.482 385 N HA -0.017 4.723 4.740 -0.000 0.000 0.179 385 N C 1.219 176.492 175.510 -0.396 0.000 1.039 385 N CA 0.757 53.485 53.050 -0.537 0.000 0.884 385 N CB 0.080 37.769 38.487 -1.330 0.000 1.113 385 N HN 0.339 nan 8.380 nan 0.000 0.440 386 Y N -0.043 120.190 120.300 -0.110 0.000 2.444 386 Y HA 0.364 4.914 4.550 -0.000 0.000 0.249 386 Y C 1.514 177.393 175.900 -0.035 0.000 1.134 386 Y CA -0.129 57.935 58.100 -0.060 0.000 1.261 386 Y CB 0.105 38.483 38.460 -0.136 0.000 1.143 386 Y HN 0.046 nan 8.280 nan 0.000 0.523 387 G N 1.533 110.383 108.800 0.084 0.000 2.198 387 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 387 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 387 G C 0.225 175.157 174.900 0.053 0.000 1.025 387 G CA 0.595 45.729 45.100 0.058 0.000 0.769 387 G HN 0.562 nan 8.290 nan 0.000 0.507 388 R N -3.231 117.313 120.500 0.072 0.000 2.979 388 R HA 0.632 4.972 4.340 -0.000 0.000 0.286 388 R C -1.143 175.205 176.300 0.079 0.000 0.972 388 R CA -1.122 55.001 56.100 0.040 0.000 0.828 388 R CB 0.390 30.690 30.300 -0.000 0.000 1.368 388 R HN 0.327 nan 8.270 nan 0.000 0.511 389 R N 1.218 121.735 120.500 0.028 0.000 2.460 389 R HA 0.567 4.907 4.340 -0.000 0.000 0.303 389 R C -0.970 175.319 176.300 -0.018 0.000 0.968 389 R CA -0.602 55.545 56.100 0.078 0.000 0.889 389 R CB 1.030 31.306 30.300 -0.040 0.000 1.123 389 R HN 0.638 nan 8.270 nan 0.000 0.455 390 I N 4.149 124.748 120.570 0.048 0.000 2.328 390 I HA 0.238 4.408 4.170 -0.000 0.000 0.287 390 I C 0.142 176.064 176.117 -0.325 0.000 1.012 390 I CA -0.757 60.288 61.300 -0.426 0.000 1.195 390 I CB 1.650 38.942 38.000 -1.179 0.000 1.350 390 I HN 0.795 nan 8.210 nan 0.000 0.464 391 S N 6.026 121.566 115.700 -0.266 0.000 2.585 391 S HA 0.302 4.772 4.470 -0.000 0.000 0.273 391 S C 1.137 175.675 174.600 -0.103 0.000 1.339 391 S CA -0.668 57.441 58.200 -0.151 0.000 1.028 391 S CB 1.227 64.356 63.200 -0.118 0.000 0.906 391 S HN 0.609 nan 8.310 nan 0.000 0.528 392 L N 0.822 122.059 121.223 0.023 0.000 2.127 392 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 392 L C 2.885 179.805 176.870 0.083 0.000 1.089 392 L CA 1.992 56.919 54.840 0.145 0.000 0.757 392 L CB -0.673 41.450 42.059 0.106 0.000 0.899 392 L HN 0.952 nan 8.230 nan 0.000 0.434 393 E N 0.324 120.514 120.200 -0.018 0.000 2.160 393 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 393 E C 2.039 178.633 176.600 -0.010 0.000 0.991 393 E CA 1.392 57.767 56.400 -0.041 0.000 0.810 393 E CB 0.092 29.748 29.700 -0.073 0.000 0.742 393 E HN 0.498 nan 8.360 nan 0.000 0.466 394 E N -0.259 119.914 120.200 -0.045 0.000 2.021 394 E HA -0.143 4.207 4.350 -0.000 0.000 0.189 394 E C 1.801 178.452 176.600 0.084 0.000 0.980 394 E CA 0.787 57.148 56.400 -0.066 0.000 0.803 394 E CB -0.350 29.208 29.700 -0.237 0.000 0.766 394 E HN 0.430 nan 8.360 nan 0.000 0.449 395 W N 1.819 123.116 121.300 -0.004 0.000 2.290 395 W HA -0.291 4.369 4.660 -0.000 0.000 0.318 395 W C 2.332 178.873 176.519 0.037 0.000 1.248 395 W CA 0.838 58.192 57.345 0.015 0.000 1.263 395 W CB -0.272 29.209 29.460 0.035 0.000 1.147 395 W HN 0.312 nan 8.180 nan 0.000 0.494 396 D N -0.311 120.276 120.400 0.312 0.000 2.123 396 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 396 D C 2.161 178.563 176.300 0.170 0.000 0.992 396 D CA 1.818 55.951 54.000 0.221 0.000 0.833 396 D CB -0.298 40.618 40.800 0.194 0.000 0.954 396 D HN 0.085 nan 8.370 nan 0.000 0.455 397 S N -0.124 115.657 115.700 0.135 0.000 2.359 397 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 397 S C 2.095 176.762 174.600 0.112 0.000 1.035 397 S CA 1.102 59.360 58.200 0.097 0.000 1.018 397 S CB -0.043 63.192 63.200 0.057 0.000 0.876 397 S HN 0.266 nan 8.310 nan 0.000 0.448 398 R N 0.276 120.868 120.500 0.155 0.000 2.066 398 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 398 R C 2.375 178.759 176.300 0.141 0.000 1.131 398 R CA 1.757 57.955 56.100 0.163 0.000 0.955 398 R CB -0.532 29.925 30.300 0.262 0.000 0.851 398 R HN 0.453 nan 8.270 nan 0.000 0.432 399 I N 0.644 121.305 120.570 0.153 0.000 2.264 399 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 399 I C 1.825 177.997 176.117 0.092 0.000 1.111 399 I CA 1.239 62.604 61.300 0.107 0.000 1.382 399 I CB -0.173 37.886 38.000 0.099 0.000 1.060 399 I HN 0.111 nan 8.210 nan 0.000 0.418 400 S N 0.566 116.326 115.700 0.100 0.000 2.481 400 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 400 S C 1.997 176.637 174.600 0.067 0.000 0.996 400 S CA 0.897 59.147 58.200 0.082 0.000 0.942 400 S CB -0.043 63.211 63.200 0.090 0.000 0.768 400 S HN 0.524 nan 8.310 nan 0.000 0.520 401 A N 1.016 123.877 122.820 0.069 0.000 2.208 401 A HA 0.285 4.605 4.320 -0.000 0.000 0.209 401 A C 0.844 178.458 177.584 0.051 0.000 1.161 401 A CA 0.051 52.121 52.037 0.056 0.000 0.782 401 A CB -0.119 18.915 19.000 0.057 0.000 0.816 401 A HN 0.265 nan 8.150 nan 0.000 0.477 402 V N 2.471 122.418 119.914 0.055 0.000 2.686 402 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 402 V C -0.163 175.956 176.094 0.041 0.000 1.055 402 V CA -0.225 62.104 62.300 0.048 0.000 1.050 402 V CB 1.023 32.878 31.823 0.053 0.000 0.984 402 V HN 0.685 nan 8.190 nan 0.000 0.482 403 D N 3.155 123.576 120.400 0.034 0.000 2.610 403 D HA 0.502 5.142 4.640 -0.000 0.000 0.271 403 D C 0.639 176.954 176.300 0.025 0.000 1.174 403 D CA -0.062 53.956 54.000 0.029 0.000 0.949 403 D CB 1.847 42.662 40.800 0.025 0.000 1.430 403 D HN 0.458 nan 8.370 nan 0.000 0.467 404 A N 0.669 123.502 122.820 0.022 0.000 1.869 404 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 404 A C 2.086 179.678 177.584 0.014 0.000 1.203 404 A CA 2.146 54.195 52.037 0.019 0.000 0.638 404 A CB -0.754 18.256 19.000 0.016 0.000 0.831 404 A HN 0.581 nan 8.150 nan 0.000 0.450 405 R N -0.762 119.744 120.500 0.011 0.000 2.140 405 R HA -0.208 4.132 4.340 -0.000 0.000 0.250 405 R C 2.186 178.489 176.300 0.005 0.000 1.150 405 R CA 2.346 58.450 56.100 0.006 0.000 0.966 405 R CB -0.648 29.656 30.300 0.006 0.000 0.869 405 R HN 0.699 nan 8.270 nan 0.000 0.445 406 M N -0.238 119.369 119.600 0.011 0.000 2.200 406 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 406 M C 2.013 178.318 176.300 0.009 0.000 1.066 406 M CA 1.218 56.525 55.300 0.012 0.000 1.127 406 M CB 0.180 32.793 32.600 0.021 0.000 1.379 406 M HN -0.065 nan 8.290 nan 0.000 0.420 407 V N 0.453 120.375 119.914 0.012 0.000 2.407 407 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 407 V C 2.296 178.388 176.094 -0.003 0.000 1.055 407 V CA 1.756 64.061 62.300 0.008 0.000 1.049 407 V CB -0.920 30.918 31.823 0.024 0.000 0.662 407 V HN 0.474 nan 8.190 nan 0.000 0.455 408 R N 0.044 120.544 120.500 -0.001 0.000 2.066 408 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 408 R C 2.133 178.420 176.300 -0.022 0.000 1.131 408 R CA 1.720 57.815 56.100 -0.009 0.000 0.955 408 R CB -0.454 29.841 30.300 -0.008 0.000 0.851 408 R HN 0.536 nan 8.270 nan 0.000 0.432 409 D N 0.246 120.634 120.400 -0.019 0.000 2.097 409 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 409 D C 2.049 178.336 176.300 -0.021 0.000 0.989 409 D CA 1.030 55.014 54.000 -0.026 0.000 0.827 409 D CB -0.290 40.499 40.800 -0.019 0.000 0.966 409 D HN -0.002 nan 8.370 nan 0.000 0.456 410 V N 0.915 120.826 119.914 -0.004 0.000 2.295 410 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 410 V C 2.770 178.876 176.094 0.021 0.000 1.049 410 V CA 1.348 63.667 62.300 0.032 0.000 1.024 410 V CB -0.595 31.231 31.823 0.006 0.000 0.648 410 V HN 0.276 nan 8.190 nan 0.000 0.447 411 C N -0.246 119.017 119.300 -0.060 0.000 2.429 411 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 411 C C 3.145 178.089 174.990 -0.078 0.000 1.262 411 C CA 1.359 60.298 59.018 -0.132 0.000 1.733 411 C CB -1.084 26.589 27.740 -0.111 0.000 2.010 411 C HN 0.612 nan 8.230 nan 0.000 0.483 412 S N 0.391 116.071 115.700 -0.034 0.000 2.370 412 S HA -0.224 4.246 4.470 -0.000 0.000 0.226 412 S C 1.903 176.488 174.600 -0.024 0.000 1.033 412 S CA 1.482 59.681 58.200 -0.000 0.000 1.011 412 S CB -0.355 62.809 63.200 -0.061 0.000 0.852 412 S HN 0.708 nan 8.310 nan 0.000 0.457 413 K N -0.253 120.095 120.400 -0.085 0.000 2.147 413 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 413 K C 1.196 177.558 176.600 -0.396 0.000 1.049 413 K CA 1.341 57.494 56.287 -0.224 0.000 0.936 413 K CB -0.094 32.249 32.500 -0.262 0.000 0.722 413 K HN 0.440 nan 8.250 nan 0.000 0.446 414 Y N -0.901 119.264 120.300 -0.225 0.000 2.498 414 Y HA 0.209 4.759 4.550 -0.000 0.000 0.259 414 Y C 1.585 177.299 175.900 -0.309 0.000 1.086 414 Y CA -0.055 57.865 58.100 -0.299 0.000 1.287 414 Y CB 0.581 38.762 38.460 -0.465 0.000 1.146 414 Y HN -0.054 nan 8.280 nan 0.000 0.523 415 I N -2.468 118.007 120.570 -0.158 0.000 3.194 415 I HA -0.048 4.122 4.170 -0.000 0.000 0.271 415 I C 0.163 176.258 176.117 -0.037 0.000 1.150 415 I CA -0.136 61.041 61.300 -0.205 0.000 1.440 415 I CB -0.120 37.638 38.000 -0.404 0.000 1.276 415 I HN -0.131 nan 8.210 nan 0.000 0.457 416 Y N 4.025 124.290 120.300 -0.058 0.000 2.802 416 Y HA -0.162 4.388 4.550 -0.000 0.000 0.333 416 Y C 0.752 176.682 175.900 0.050 0.000 1.244 416 Y CA 0.519 58.636 58.100 0.028 0.000 1.558 416 Y CB -0.160 38.316 38.460 0.026 0.000 1.233 416 Y HN 0.226 nan 8.280 nan 0.000 0.547 417 D N 2.748 122.891 120.400 -0.427 0.000 2.708 417 D HA -0.228 4.412 4.640 -0.000 0.000 0.236 417 D C -0.975 175.310 176.300 -0.024 0.000 1.146 417 D CA 0.758 54.647 54.000 -0.186 0.000 0.662 417 D CB -0.536 40.163 40.800 -0.167 0.000 1.059 417 D HN 0.407 nan 8.370 nan 0.000 0.428 418 K N -0.230 120.173 120.400 0.006 0.000 2.156 418 K HA 0.490 4.810 4.320 -0.000 0.000 0.250 418 K C -0.077 176.593 176.600 0.116 0.000 0.955 418 K CA -0.612 55.707 56.287 0.053 0.000 0.855 418 K CB 1.609 34.125 32.500 0.027 0.000 1.101 418 K HN 0.119 nan 8.250 nan 0.000 0.434 419 C N 4.242 123.646 119.300 0.172 0.000 2.373 419 C HA 0.298 4.758 4.460 -0.000 0.000 0.354 419 C C -1.472 173.715 174.990 0.329 0.000 1.249 419 C CA -1.133 58.038 59.018 0.256 0.000 1.784 419 C CB -0.316 27.576 27.740 0.253 0.000 2.408 419 C HN 0.545 nan 8.230 nan 0.000 0.542 420 P HA 0.476 nan 4.420 nan 0.000 0.281 420 P C -1.005 176.484 177.300 0.316 0.000 1.281 420 P CA -0.244 63.049 63.100 0.321 0.000 0.811 420 P CB 1.126 32.955 31.700 0.216 0.000 1.154 421 A N 0.892 123.863 122.820 0.251 0.000 2.304 421 A HA 0.610 4.930 4.320 -0.000 0.000 0.323 421 A C -0.957 176.661 177.584 0.058 0.000 1.195 421 A CA -0.548 51.533 52.037 0.074 0.000 0.826 421 A CB 0.127 19.112 19.000 -0.025 0.000 1.184 421 A HN 0.529 nan 8.150 nan 0.000 0.496 422 L N 2.435 123.689 121.223 0.052 0.000 2.385 422 L HA 0.839 5.179 4.340 -0.000 0.000 0.273 422 L C -0.254 176.604 176.870 -0.020 0.000 0.990 422 L CA -0.123 54.722 54.840 0.008 0.000 0.821 422 L CB 1.804 43.903 42.059 0.066 0.000 1.279 422 L HN 0.895 nan 8.230 nan 0.000 0.412 423 A N 4.299 127.090 122.820 -0.049 0.000 2.343 423 A HA 0.966 5.286 4.320 -0.000 0.000 0.308 423 A C -1.030 176.548 177.584 -0.011 0.000 1.092 423 A CA 0.023 52.053 52.037 -0.013 0.000 0.751 423 A CB 1.348 20.359 19.000 0.018 0.000 1.203 423 A HN 1.199 nan 8.150 nan 0.000 0.452 424 A N 2.010 124.842 122.820 0.019 0.000 2.398 424 A HA 0.745 5.065 4.320 -0.000 0.000 0.301 424 A C -1.089 176.544 177.584 0.082 0.000 1.041 424 A CA -0.458 51.597 52.037 0.030 0.000 0.711 424 A CB 1.417 20.422 19.000 0.008 0.000 1.240 424 A HN 1.303 nan 8.150 nan 0.000 0.420 425 V N 1.555 121.539 119.914 0.116 0.000 2.709 425 V HA 0.911 5.031 4.120 -0.000 0.000 0.308 425 V C 0.701 176.868 176.094 0.121 0.000 1.062 425 V CA 0.528 62.907 62.300 0.132 0.000 0.901 425 V CB 1.121 33.028 31.823 0.141 0.000 1.003 425 V HN 2.404 nan 8.190 nan 0.000 0.425 426 G N 5.087 113.946 108.800 0.097 0.000 2.428 426 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.202 426 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.202 426 G C -2.936 172.010 174.900 0.076 0.000 1.247 426 G CA -0.283 44.873 45.100 0.093 0.000 1.020 426 G HN 0.642 nan 8.290 nan 0.000 0.529 427 P HA 0.281 nan 4.420 nan 0.000 0.237 427 P C 1.051 178.392 177.300 0.068 0.000 1.788 427 P CA 0.053 63.191 63.100 0.063 0.000 1.061 427 P CB -0.953 30.784 31.700 0.061 0.000 1.967 428 I N -1.791 118.817 120.570 0.063 0.000 3.810 428 I HA 0.165 4.335 4.170 -0.000 0.000 0.322 428 I C 1.578 177.726 176.117 0.052 0.000 1.288 428 I CA -0.163 61.176 61.300 0.064 0.000 1.143 428 I CB -0.459 37.577 38.000 0.059 0.000 1.012 428 I HN 0.049 nan 8.210 nan 0.000 0.423 429 E N 1.831 122.056 120.200 0.042 0.000 2.171 429 E HA -0.313 4.037 4.350 -0.000 0.000 0.197 429 E C 2.090 178.709 176.600 0.032 0.000 0.997 429 E CA 1.453 57.873 56.400 0.033 0.000 0.810 429 E CB -0.015 29.701 29.700 0.026 0.000 0.738 429 E HN 0.741 nan 8.360 nan 0.000 0.467 430 Q N 0.154 119.976 119.800 0.038 0.000 2.311 430 Q HA -0.035 4.305 4.340 -0.000 0.000 0.203 430 Q C 0.415 176.439 176.000 0.040 0.000 0.954 430 Q CA 0.036 55.858 55.803 0.031 0.000 0.885 430 Q CB 0.166 28.921 28.738 0.028 0.000 0.963 430 Q HN 0.219 nan 8.270 nan 0.000 0.471 431 L N 1.132 122.390 121.223 0.059 0.000 2.305 431 L HA 0.485 4.825 4.340 -0.000 0.000 0.281 431 L C -1.218 175.682 176.870 0.049 0.000 1.085 431 L CA 0.033 54.915 54.840 0.070 0.000 0.813 431 L CB 1.024 43.138 42.059 0.092 0.000 1.157 431 L HN 0.068 nan 8.230 nan 0.000 0.436 432 L N 3.716 124.964 121.223 0.041 0.000 2.710 432 L HA 0.430 4.770 4.340 -0.000 0.000 0.260 432 L C -1.630 175.260 176.870 0.033 0.000 0.993 432 L CA -0.367 54.495 54.840 0.036 0.000 0.877 432 L CB 1.789 43.866 42.059 0.029 0.000 1.461 432 L HN 0.865 nan 8.230 nan 0.000 0.413 433 D N 1.039 121.467 120.400 0.046 0.000 6.013 433 D HA -0.289 4.351 4.640 -0.000 0.000 0.242 433 D C 0.032 176.370 176.300 0.063 0.000 1.609 433 D CA 1.172 55.208 54.000 0.061 0.000 1.473 433 D CB -0.260 40.566 40.800 0.043 0.000 0.711 433 D HN 0.560 nan 8.370 nan 0.000 0.388 434 Y N 4.680 124.984 120.300 0.007 0.000 2.165 434 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 434 Y C 2.039 177.951 175.900 0.020 0.000 1.155 434 Y CA 2.302 60.407 58.100 0.008 0.000 1.164 434 Y CB -0.173 38.285 38.460 -0.003 0.000 0.978 434 Y HN 0.521 nan 8.280 nan 0.000 0.513 435 N N 0.228 119.005 118.700 0.128 0.000 2.036 435 N HA -0.209 4.531 4.740 -0.000 0.000 0.195 435 N C 1.874 177.375 175.510 -0.016 0.000 1.037 435 N CA 1.585 54.681 53.050 0.076 0.000 0.855 435 N CB -0.321 38.222 38.487 0.093 0.000 1.033 435 N HN 0.316 nan 8.380 nan 0.000 0.423 436 R N 1.002 121.492 120.500 -0.016 0.000 2.091 436 R HA -0.021 4.319 4.340 -0.000 0.000 0.238 436 R C 2.377 178.627 176.300 -0.084 0.000 1.136 436 R CA 0.660 56.742 56.100 -0.030 0.000 0.959 436 R CB -1.016 29.281 30.300 -0.005 0.000 0.856 436 R HN 0.399 nan 8.270 nan 0.000 0.437 437 I N 0.365 120.851 120.570 -0.140 0.000 2.226 437 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 437 I C 2.589 178.567 176.117 -0.233 0.000 1.100 437 I CA 1.080 62.267 61.300 -0.188 0.000 1.374 437 I CB -0.271 37.575 38.000 -0.256 0.000 1.057 437 I HN 0.026 nan 8.210 nan 0.000 0.413 438 R N 1.266 121.576 120.500 -0.315 0.000 2.105 438 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 438 R C 2.198 178.446 176.300 -0.087 0.000 1.135 438 R CA 1.862 57.844 56.100 -0.196 0.000 0.967 438 R CB -0.626 29.607 30.300 -0.112 0.000 0.861 438 R HN 0.196 nan 8.270 nan 0.000 0.442 439 S N -0.819 114.801 115.700 -0.132 0.000 2.423 439 S HA 0.006 4.476 4.470 -0.000 0.000 0.231 439 S C 1.653 175.901 174.600 -0.586 0.000 1.014 439 S CA 0.972 58.955 58.200 -0.362 0.000 0.965 439 S CB -0.135 62.959 63.200 -0.177 0.000 0.785 439 S HN 0.647 nan 8.310 nan 0.000 0.495 440 G N 0.802 109.424 108.800 -0.298 0.000 2.776 440 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.209 440 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.209 440 G C 0.949 175.730 174.900 -0.197 0.000 1.145 440 G CA 0.184 45.139 45.100 -0.242 0.000 0.791 440 G HN 0.344 nan 8.290 nan 0.000 0.530 441 M N 0.086 119.554 119.600 -0.220 0.000 2.563 441 M HA 0.285 4.765 4.480 -0.000 0.000 0.231 441 M C -0.291 175.880 176.300 -0.215 0.000 1.136 441 M CA -0.088 55.158 55.300 -0.090 0.000 1.026 441 M CB -0.984 31.621 32.600 0.007 0.000 1.597 441 M HN 0.467 nan 8.290 nan 0.000 0.495 442 Y N -4.364 115.808 120.300 -0.214 0.000 2.609 442 Y HA 0.500 5.050 4.550 -0.000 0.000 0.336 442 Y C -0.825 175.224 175.900 0.248 0.000 1.129 442 Y CA -2.343 55.563 58.100 -0.323 0.000 1.040 442 Y CB 0.225 38.382 38.460 -0.505 0.000 1.310 442 Y HN 0.241 nan 8.280 nan 0.000 0.460 443 W N 2.704 124.267 121.300 0.440 0.000 3.098 443 W HA -0.108 4.552 4.660 0.000 0.000 0.452 443 W C 0.379 176.980 176.519 0.137 0.000 1.839 443 W CA 0.096 57.619 57.345 0.297 0.000 0.464 443 W CB -0.703 28.902 29.460 0.242 0.000 2.860 443 W HN 1.120 nan 8.180 nan 0.000 0.426 444 I N 0.000 120.635 120.570 0.109 0.000 2.984 444 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 444 I CA 0.000 61.231 61.300 -0.114 0.000 1.566 444 I CB 0.000 37.880 38.000 -0.200 0.000 1.214 444 I HN 0.000 nan 8.210 nan 0.000 0.494