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 2b4k_1_D DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPASVHMPT DQQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.329 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.001 0.000 1.023 50 H CB 0.000 29.762 29.762 0.001 0.000 1.292 51 D N 3.365 123.877 120.400 0.187 0.000 2.352 51 D HA 0.134 4.774 4.640 -0.000 0.000 0.245 51 D C -1.238 175.172 176.300 0.183 0.000 1.224 51 D CA -2.350 51.722 54.000 0.122 0.000 0.879 51 D CB 1.322 42.164 40.800 0.069 0.000 1.057 51 D HN 0.300 nan 8.370 nan 0.000 0.491 52 P HA -0.103 nan 4.420 nan 0.000 0.222 52 P C 1.550 178.898 177.300 0.080 0.000 1.147 52 P CA 0.557 63.758 63.100 0.168 0.000 0.790 52 P CB 0.413 32.180 31.700 0.112 0.000 0.780 53 L N -1.106 120.151 121.223 0.057 0.000 2.478 53 L HA 0.006 4.346 4.340 -0.000 0.000 0.223 53 L C 1.826 178.710 176.870 0.024 0.000 1.140 53 L CA 0.972 55.832 54.840 0.033 0.000 0.842 53 L CB -0.218 41.856 42.059 0.025 0.000 0.953 53 L HN 0.011 nan 8.230 nan 0.000 0.452 54 S N -2.179 113.537 115.700 0.028 0.000 2.818 54 S HA 0.155 4.625 4.470 -0.000 0.000 0.251 54 S C 0.411 175.008 174.600 -0.005 0.000 1.083 54 S CA -0.279 57.928 58.200 0.012 0.000 0.871 54 S CB 1.037 64.246 63.200 0.014 0.000 0.831 54 S HN -0.047 nan 8.310 nan 0.000 0.470 55 V N 3.625 123.534 119.914 -0.009 0.000 2.311 55 V HA 0.508 4.628 4.120 -0.000 0.000 0.275 55 V C -0.511 175.494 176.094 -0.147 0.000 1.022 55 V CA -0.477 61.776 62.300 -0.078 0.000 0.830 55 V CB 0.945 32.709 31.823 -0.100 0.000 1.012 55 V HN 0.249 nan 8.190 nan 0.000 0.452 56 Q N 3.733 123.463 119.800 -0.118 0.000 2.368 56 Q HA 0.401 4.741 4.340 -0.000 0.000 0.256 56 Q C 0.655 176.571 176.000 -0.139 0.000 0.980 56 Q CA -0.009 55.727 55.803 -0.111 0.000 0.887 56 Q CB 1.555 30.263 28.738 -0.050 0.000 1.221 56 Q HN 0.841 nan 8.270 nan 0.000 0.458 57 T N 0.066 114.509 114.554 -0.184 0.000 3.044 57 T HA 0.449 4.799 4.350 -0.000 0.000 0.260 57 T C 0.719 175.384 174.700 -0.059 0.000 1.019 57 T CA 0.131 62.147 62.100 -0.140 0.000 0.921 57 T CB 0.565 69.309 68.868 -0.206 0.000 1.053 57 T HN 0.459 nan 8.240 nan 0.000 0.533 58 G N 0.922 109.700 108.800 -0.036 0.000 2.940 58 G HA2 0.553 4.513 3.960 -0.000 0.000 0.164 58 G HA3 0.553 4.513 3.960 -0.000 0.000 0.164 58 G C -0.985 173.909 174.900 -0.010 0.000 1.326 58 G CA -0.664 44.431 45.100 -0.007 0.000 1.020 58 G HN 0.274 nan 8.290 nan 0.000 0.586 59 S N -0.510 115.188 115.700 -0.003 0.000 2.449 59 S HA 0.328 4.798 4.470 -0.000 0.000 0.310 59 S C 0.086 174.683 174.600 -0.005 0.000 1.096 59 S CA -0.570 57.626 58.200 -0.006 0.000 1.095 59 S CB 1.284 64.481 63.200 -0.004 0.000 1.007 59 S HN 0.369 nan 8.310 nan 0.000 0.474 60 D N 2.949 123.345 120.400 -0.008 0.000 2.392 60 D HA 0.071 4.711 4.640 -0.000 0.000 0.228 60 D C 0.256 176.551 176.300 -0.007 0.000 1.003 60 D CA 0.695 54.691 54.000 -0.007 0.000 0.917 60 D CB 0.080 40.875 40.800 -0.008 0.000 0.890 60 D HN 0.533 nan 8.370 nan 0.000 0.532 61 I N 2.330 122.895 120.570 -0.008 0.000 2.304 61 I HA 0.169 4.339 4.170 -0.000 0.000 0.291 61 I C -2.041 174.068 176.117 -0.013 0.000 1.018 61 I CA -1.804 59.490 61.300 -0.010 0.000 1.260 61 I CB 0.996 38.990 38.000 -0.010 0.000 1.390 61 I HN -0.368 nan 8.210 nan 0.000 0.475 62 P HA 0.037 nan 4.420 nan 0.000 0.264 62 P C 0.695 177.974 177.300 -0.034 0.000 1.193 62 P CA 0.013 63.097 63.100 -0.027 0.000 0.763 62 P CB 0.909 32.586 31.700 -0.039 0.000 0.810 63 A N 2.497 125.298 122.820 -0.031 0.000 1.978 63 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 63 A C 1.097 178.650 177.584 -0.052 0.000 1.170 63 A CA 1.948 53.967 52.037 -0.029 0.000 0.636 63 A CB -0.470 18.520 19.000 -0.017 0.000 0.810 63 A HN 0.625 nan 8.150 nan 0.000 0.448 64 S N -2.162 113.483 115.700 -0.093 0.000 2.570 64 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 64 S C -1.121 173.330 174.600 -0.248 0.000 1.149 64 S CA -0.052 58.046 58.200 -0.170 0.000 0.837 64 S CB 1.539 64.613 63.200 -0.210 0.000 1.124 64 S HN 1.219 nan 8.310 nan 0.000 0.465 65 V N 1.463 121.195 119.914 -0.305 0.000 2.638 65 V HA 0.676 4.796 4.120 -0.000 0.000 0.306 65 V C -1.096 174.813 176.094 -0.308 0.000 1.052 65 V CA -0.674 61.475 62.300 -0.253 0.000 0.885 65 V CB 1.606 33.370 31.823 -0.097 0.000 0.999 65 V HN 1.014 nan 8.190 nan 0.000 0.424 66 H N 4.029 123.104 119.070 0.009 0.000 2.351 66 H HA 0.443 4.999 4.556 -0.000 0.000 0.232 66 H C 0.045 175.376 175.328 0.004 0.000 1.452 66 H CA -0.840 55.212 56.048 0.007 0.000 1.236 66 H CB 0.994 30.759 29.762 0.006 0.000 1.579 66 H HN 0.694 nan 8.280 nan 0.000 0.535 67 M N 2.541 122.192 119.600 0.085 0.000 2.286 67 M HA -0.015 4.465 4.480 -0.000 0.000 0.365 67 M C -1.328 174.997 176.300 0.043 0.000 1.443 67 M CA -1.137 54.193 55.300 0.049 0.000 0.951 67 M CB 0.695 33.313 32.600 0.031 0.000 1.961 67 M HN 0.135 nan 8.290 nan 0.000 0.468 68 P HA -0.078 nan 4.420 nan 0.000 0.219 68 P C 0.990 178.288 177.300 -0.003 0.000 1.150 68 P CA 1.292 64.400 63.100 0.014 0.000 0.814 68 P CB -0.340 31.367 31.700 0.011 0.000 0.787 69 T N -1.827 112.726 114.554 -0.002 0.000 2.802 69 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 69 T C 1.123 175.797 174.700 -0.042 0.000 1.062 69 T CA 1.752 63.843 62.100 -0.016 0.000 1.133 69 T CB -1.287 67.579 68.868 -0.004 0.000 0.852 69 T HN 0.127 nan 8.240 nan 0.000 0.485 70 D N 2.127 122.508 120.400 -0.033 0.000 2.123 70 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 70 D C 2.447 178.692 176.300 -0.092 0.000 0.992 70 D CA 1.425 55.389 54.000 -0.059 0.000 0.833 70 D CB -0.420 40.369 40.800 -0.017 0.000 0.954 70 D HN 0.696 nan 8.370 nan 0.000 0.455 71 Q N 0.167 119.931 119.800 -0.060 0.000 2.432 71 Q HA -0.018 4.322 4.340 -0.000 0.000 0.205 71 Q C 1.594 177.554 176.000 -0.066 0.000 0.945 71 Q CA 0.492 56.259 55.803 -0.061 0.000 0.924 71 Q CB -0.109 28.607 28.738 -0.037 0.000 1.016 71 Q HN 0.358 nan 8.270 nan 0.000 0.503 72 Q N 0.603 120.364 119.800 -0.066 0.000 2.432 72 Q HA 0.073 4.413 4.340 -0.000 0.000 0.205 72 Q C 0.164 176.112 176.000 -0.087 0.000 0.945 72 Q CA -0.057 55.712 55.803 -0.057 0.000 0.924 72 Q CB 0.456 29.173 28.738 -0.036 0.000 1.016 72 Q HN 0.221 nan 8.270 nan 0.000 0.503 73 R N 0.922 121.326 120.500 -0.160 0.000 2.738 73 R HA -0.037 4.303 4.340 -0.000 0.000 0.275 73 R C 0.504 176.676 176.300 -0.213 0.000 1.121 73 R CA 0.768 56.699 56.100 -0.282 0.000 1.207 73 R CB 0.405 30.333 30.300 -0.621 0.000 1.141 73 R HN 0.114 nan 8.270 nan 0.000 0.571 74 D N -0.565 119.723 120.400 -0.186 0.000 2.479 74 D HA 0.043 4.683 4.640 -0.000 0.000 0.218 74 D C -0.604 175.734 176.300 0.063 0.000 1.177 74 D CA -0.122 53.863 54.000 -0.025 0.000 0.830 74 D CB -0.018 40.814 40.800 0.054 0.000 1.014 74 D HN 0.426 nan 8.370 nan 0.000 0.503 75 Y N -1.653 118.662 120.300 0.025 0.000 2.818 75 Y HA 0.733 5.283 4.550 -0.000 0.000 0.322 75 Y C -1.526 174.392 175.900 0.029 0.000 1.323 75 Y CA -1.886 56.231 58.100 0.030 0.000 1.090 75 Y CB 1.076 39.559 38.460 0.038 0.000 1.328 75 Y HN -0.236 nan 8.280 nan 0.000 0.482 76 I N 1.562 122.352 120.570 0.366 0.000 2.534 76 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 76 I C -0.988 175.315 176.117 0.310 0.000 1.077 76 I CA -0.759 60.681 61.300 0.233 0.000 1.051 76 I CB 2.212 40.278 38.000 0.111 0.000 1.234 76 I HN 0.525 nan 8.210 nan 0.000 0.425 77 K N 6.029 126.600 120.400 0.285 0.000 2.206 77 K HA 0.620 4.940 4.320 -0.000 0.000 0.264 77 K C -0.835 175.843 176.600 0.130 0.000 0.967 77 K CA -0.804 55.610 56.287 0.211 0.000 0.844 77 K CB 1.537 34.184 32.500 0.244 0.000 1.099 77 K HN 0.500 nan 8.250 nan 0.000 0.441 78 R N 2.526 123.084 120.500 0.096 0.000 2.439 78 R HA 0.184 4.524 4.340 -0.000 0.000 0.310 78 R C -0.972 175.328 176.300 -0.000 0.000 0.955 78 R CA -0.578 55.560 56.100 0.063 0.000 0.853 78 R CB 1.788 32.138 30.300 0.084 0.000 1.171 78 R HN 0.566 nan 8.270 nan 0.000 0.449 79 E N 2.895 123.068 120.200 -0.045 0.000 2.081 79 E HA 0.273 4.623 4.350 -0.000 0.000 0.281 79 E C -0.735 175.733 176.600 -0.220 0.000 0.986 79 E CA -0.567 55.703 56.400 -0.216 0.000 0.796 79 E CB 1.605 31.220 29.700 -0.142 0.000 1.085 79 E HN 0.191 nan 8.360 nan 0.000 0.398 80 V N 1.660 121.381 119.914 -0.323 0.000 2.735 80 V HA 0.357 4.477 4.120 -0.000 0.000 0.310 80 V C -0.093 175.768 176.094 -0.388 0.000 1.061 80 V CA -1.114 61.017 62.300 -0.281 0.000 0.913 80 V CB 1.895 33.570 31.823 -0.247 0.000 1.005 80 V HN 0.673 nan 8.190 nan 0.000 0.428 81 M N 3.318 122.741 119.600 -0.294 0.000 3.117 81 M HA 0.307 4.787 4.480 -0.000 0.000 0.292 81 M C -0.364 175.727 176.300 -0.350 0.000 1.357 81 M CA -0.474 54.680 55.300 -0.243 0.000 1.463 81 M CB 0.299 32.830 32.600 -0.114 0.000 1.105 81 M HN 0.532 nan 8.290 nan 0.000 0.553 82 V N 6.024 125.617 119.914 -0.535 0.000 2.450 82 V HA 0.097 4.217 4.120 -0.000 0.000 0.281 82 V C -1.764 174.129 176.094 -0.334 0.000 1.019 82 V CA -0.792 61.075 62.300 -0.722 0.000 1.062 82 V CB -0.109 31.219 31.823 -0.825 0.000 0.979 82 V HN 0.469 nan 8.190 nan 0.000 0.477 83 P HA 0.322 nan 4.420 nan 0.000 0.285 83 P C -0.582 176.711 177.300 -0.012 0.000 1.259 83 P CA -0.497 62.556 63.100 -0.080 0.000 0.794 83 P CB 1.082 32.763 31.700 -0.031 0.000 0.940 84 M N 2.970 122.582 119.600 0.020 0.000 2.371 84 M HA 0.286 4.766 4.480 -0.000 0.000 0.301 84 M C 2.124 178.463 176.300 0.066 0.000 1.173 84 M CA -0.643 54.695 55.300 0.062 0.000 1.020 84 M CB 0.536 33.175 32.600 0.065 0.000 1.490 84 M HN 0.394 nan 8.290 nan 0.000 0.485 85 R N 0.878 121.425 120.500 0.078 0.000 2.117 85 R HA -0.181 4.159 4.340 -0.000 0.000 0.243 85 R C 0.727 177.048 176.300 0.035 0.000 1.143 85 R CA 1.979 58.112 56.100 0.055 0.000 0.968 85 R CB -0.802 29.517 30.300 0.033 0.000 0.863 85 R HN 0.728 nan 8.270 nan 0.000 0.444 86 D N 0.109 120.530 120.400 0.035 0.000 2.324 86 D HA 0.028 4.668 4.640 -0.000 0.000 0.235 86 D C 1.032 177.349 176.300 0.029 0.000 1.095 86 D CA 0.696 54.713 54.000 0.028 0.000 0.871 86 D CB 0.175 40.993 40.800 0.030 0.000 0.906 86 D HN 0.511 nan 8.370 nan 0.000 0.522 87 G N -0.293 108.526 108.800 0.031 0.000 2.179 87 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 87 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 87 G C 0.221 175.135 174.900 0.023 0.000 0.977 87 G CA 0.253 45.369 45.100 0.027 0.000 0.641 87 G HN 0.386 nan 8.290 nan 0.000 0.533 88 V N 1.336 121.267 119.914 0.028 0.000 2.530 88 V HA 0.378 4.498 4.120 -0.000 0.000 0.282 88 V C 0.789 176.892 176.094 0.015 0.000 1.048 88 V CA -0.071 62.246 62.300 0.028 0.000 0.997 88 V CB 1.437 33.286 31.823 0.043 0.000 0.987 88 V HN 0.319 nan 8.190 nan 0.000 0.477 89 K N 5.243 125.647 120.400 0.006 0.000 2.143 89 K HA 0.646 4.966 4.320 -0.000 0.000 0.272 89 K C -0.988 175.610 176.600 -0.004 0.000 1.001 89 K CA -0.445 55.828 56.287 -0.023 0.000 0.915 89 K CB 1.296 33.777 32.500 -0.032 0.000 1.047 89 K HN 0.487 nan 8.250 nan 0.000 0.458 90 L N 3.046 124.249 121.223 -0.035 0.000 2.346 90 L HA 0.341 4.681 4.340 -0.000 0.000 0.276 90 L C -0.508 176.366 176.870 0.005 0.000 1.006 90 L CA -1.200 53.647 54.840 0.013 0.000 0.817 90 L CB 1.024 43.091 42.059 0.013 0.000 1.272 90 L HN 0.592 nan 8.230 nan 0.000 0.421 91 Y N 2.228 122.509 120.300 -0.030 0.000 2.526 91 Y HA 0.135 4.685 4.550 -0.000 0.000 0.330 91 Y C -0.134 175.749 175.900 -0.027 0.000 1.156 91 Y CA 0.556 58.640 58.100 -0.026 0.000 1.419 91 Y CB 0.706 39.171 38.460 0.009 0.000 1.250 91 Y HN 0.495 nan 8.280 nan 0.000 0.540 92 T N 5.875 120.181 114.554 -0.414 0.000 2.921 92 T HA 0.454 4.804 4.350 -0.000 0.000 0.297 92 T C -1.325 173.210 174.700 -0.275 0.000 1.013 92 T CA -0.722 61.249 62.100 -0.214 0.000 0.990 92 T CB 1.299 70.037 68.868 -0.218 0.000 1.023 92 T HN 0.367 nan 8.240 nan 0.000 0.447 93 V N 4.554 124.458 119.914 -0.016 0.000 2.378 93 V HA 0.494 4.614 4.120 -0.000 0.000 0.288 93 V C -0.319 175.829 176.094 0.090 0.000 1.016 93 V CA -0.778 61.549 62.300 0.045 0.000 0.840 93 V CB 1.048 32.980 31.823 0.182 0.000 0.994 93 V HN 0.785 nan 8.190 nan 0.000 0.431 94 I N 5.285 125.899 120.570 0.073 0.000 2.330 94 I HA 0.421 4.591 4.170 -0.000 0.000 0.289 94 I C -0.407 175.763 176.117 0.089 0.000 1.001 94 I CA -0.772 60.582 61.300 0.090 0.000 1.193 94 I CB 1.724 39.788 38.000 0.107 0.000 1.345 94 I HN 0.244 nan 8.210 nan 0.000 0.461 95 V N 7.781 127.741 119.914 0.076 0.000 2.318 95 V HA 0.386 4.506 4.120 -0.000 0.000 0.271 95 V C 0.111 176.248 176.094 0.072 0.000 1.030 95 V CA -0.300 62.031 62.300 0.051 0.000 0.844 95 V CB 0.791 32.591 31.823 -0.039 0.000 1.015 95 V HN 0.492 nan 8.190 nan 0.000 0.460 96 I N 7.283 127.920 120.570 0.111 0.000 2.354 96 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 96 I C -2.401 173.800 176.117 0.139 0.000 0.989 96 I CA -2.261 59.099 61.300 0.100 0.000 1.188 96 I CB 1.879 39.925 38.000 0.076 0.000 1.342 96 I HN 0.368 nan 8.210 nan 0.000 0.457 97 P HA 0.074 nan 4.420 nan 0.000 0.267 97 P C -0.643 176.714 177.300 0.095 0.000 1.205 97 P CA -0.356 62.821 63.100 0.128 0.000 0.765 97 P CB 0.434 32.188 31.700 0.091 0.000 0.828 98 K N 3.192 123.648 120.400 0.093 0.000 2.485 98 K HA -0.014 4.306 4.320 -0.000 0.000 0.277 98 K C 0.422 177.040 176.600 0.029 0.000 0.990 98 K CA 0.364 56.678 56.287 0.045 0.000 0.994 98 K CB -0.300 32.212 32.500 0.018 0.000 0.906 98 K HN 0.504 nan 8.250 nan 0.000 0.488 99 N N -0.067 118.642 118.700 0.016 0.000 2.708 99 N HA -0.206 4.534 4.740 -0.000 0.000 0.255 99 N C -1.444 174.069 175.510 0.005 0.000 1.046 99 N CA 0.997 54.050 53.050 0.006 0.000 0.715 99 N CB -0.892 37.597 38.487 0.003 0.000 0.895 99 N HN 0.606 nan 8.380 nan 0.000 0.545 100 A N 1.384 124.207 122.820 0.004 0.000 2.331 100 A HA 0.764 5.084 4.320 -0.000 0.000 0.320 100 A C 0.381 177.953 177.584 -0.020 0.000 1.138 100 A CA -0.806 51.228 52.037 -0.005 0.000 0.790 100 A CB 1.246 20.249 19.000 0.005 0.000 1.206 100 A HN 0.402 nan 8.150 nan 0.000 0.470 101 R N 1.424 121.905 120.500 -0.032 0.000 2.575 101 R HA 0.611 4.951 4.340 -0.000 0.000 0.293 101 R C -0.666 175.599 176.300 -0.058 0.000 0.983 101 R CA -0.721 55.354 56.100 -0.042 0.000 0.887 101 R CB 0.552 30.830 30.300 -0.036 0.000 1.184 101 R HN 0.683 nan 8.270 nan 0.000 0.445 102 N N 0.259 118.918 118.700 -0.069 0.000 2.725 102 N HA -0.246 4.494 4.740 -0.000 0.000 0.251 102 N C -1.058 174.385 175.510 -0.112 0.000 1.031 102 N CA 0.955 53.953 53.050 -0.087 0.000 0.720 102 N CB -0.536 37.904 38.487 -0.079 0.000 0.930 102 N HN 0.821 nan 8.380 nan 0.000 0.543 103 A N 0.448 123.198 122.820 -0.117 0.000 2.301 103 A HA 0.630 4.950 4.320 -0.000 0.000 0.312 103 A C -1.989 175.467 177.584 -0.214 0.000 1.182 103 A CA -1.365 50.572 52.037 -0.168 0.000 0.826 103 A CB 0.833 19.762 19.000 -0.118 0.000 1.134 103 A HN 0.083 nan 8.150 nan 0.000 0.501 104 P HA 0.236 nan 4.420 nan 0.000 0.272 104 P C -0.711 176.468 177.300 -0.201 0.000 1.230 104 P CA 0.192 63.086 63.100 -0.343 0.000 0.788 104 P CB 0.684 32.032 31.700 -0.586 0.000 0.949 105 I N 1.901 122.433 120.570 -0.063 0.000 2.354 105 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 105 I C 0.198 176.366 176.117 0.084 0.000 0.989 105 I CA -0.936 60.374 61.300 0.017 0.000 1.188 105 I CB 1.432 39.411 38.000 -0.034 0.000 1.342 105 I HN 0.167 nan 8.210 nan 0.000 0.457 106 L N 8.223 129.501 121.223 0.091 0.000 2.262 106 L HA 0.497 4.837 4.340 -0.000 0.000 0.288 106 L C -0.936 175.846 176.870 -0.147 0.000 1.035 106 L CA -0.320 54.485 54.840 -0.059 0.000 0.820 106 L CB 1.203 43.080 42.059 -0.303 0.000 1.204 106 L HN 0.482 nan 8.230 nan 0.000 0.424 107 L N 4.750 125.894 121.223 -0.132 0.000 2.334 107 L HA 0.795 5.135 4.340 -0.000 0.000 0.276 107 L C -0.666 176.073 176.870 -0.218 0.000 1.014 107 L CA 0.376 55.115 54.840 -0.168 0.000 0.815 107 L CB 2.159 44.167 42.059 -0.086 0.000 1.268 107 L HN 0.631 nan 8.230 nan 0.000 0.428 108 T N 4.557 118.912 114.554 -0.333 0.000 2.928 108 T HA 0.526 4.876 4.350 -0.000 0.000 0.296 108 T C -0.760 173.874 174.700 -0.111 0.000 1.000 108 T CA -0.585 61.341 62.100 -0.290 0.000 0.989 108 T CB 1.194 69.692 68.868 -0.616 0.000 1.005 108 T HN 0.557 nan 8.240 nan 0.000 0.442 109 R N 1.759 122.279 120.500 0.034 0.000 2.295 109 R HA 0.689 5.029 4.340 -0.000 0.000 0.324 109 R C -0.359 176.035 176.300 0.156 0.000 0.968 109 R CA -0.708 55.456 56.100 0.107 0.000 0.837 109 R CB 1.713 32.082 30.300 0.115 0.000 1.133 109 R HN 0.511 nan 8.270 nan 0.000 0.450 110 T N 2.418 117.057 114.554 0.142 0.000 2.900 110 T HA 0.409 4.759 4.350 -0.000 0.000 0.295 110 T C -2.222 172.391 174.700 -0.144 0.000 1.044 110 T CA -2.185 59.946 62.100 0.052 0.000 0.995 110 T CB 1.762 70.751 68.868 0.201 0.000 1.072 110 T HN 0.331 nan 8.240 nan 0.000 0.473 111 P HA 0.196 nan 4.420 nan 0.000 0.261 111 P C -0.396 176.620 177.300 -0.473 0.000 1.268 111 P CA 0.034 62.755 63.100 -0.632 0.000 0.833 111 P CB -0.055 30.932 31.700 -1.189 0.000 1.231 112 Y N 0.781 121.036 120.300 -0.076 0.000 2.839 112 Y HA 0.298 4.848 4.550 -0.000 0.000 0.361 112 Y C 0.645 176.340 175.900 -0.343 0.000 1.008 112 Y CA -1.608 56.429 58.100 -0.105 0.000 1.534 112 Y CB -1.333 37.121 38.460 -0.010 0.000 1.395 112 Y HN 0.082 nan 8.280 nan 0.000 0.534 113 N N 0.528 118.909 118.700 -0.532 0.000 2.471 113 N HA -0.233 4.507 4.740 -0.000 0.000 0.286 113 N C 0.898 176.174 175.510 -0.389 0.000 1.327 113 N CA 0.294 52.815 53.050 -0.882 0.000 0.657 113 N CB -0.120 37.537 38.487 -1.384 0.000 0.901 113 N HN 0.575 nan 8.380 nan 0.000 0.531 114 A N 3.703 126.406 122.820 -0.196 0.000 1.940 114 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 114 A C 1.973 179.509 177.584 -0.080 0.000 1.176 114 A CA 2.064 54.087 52.037 -0.023 0.000 0.631 114 A CB -0.301 18.828 19.000 0.214 0.000 0.814 114 A HN 0.814 nan 8.150 nan 0.000 0.446 115 K N -0.595 119.717 120.400 -0.146 0.000 2.009 115 K HA -0.127 4.193 4.320 -0.000 0.000 0.210 115 K C 1.956 178.472 176.600 -0.139 0.000 1.049 115 K CA 1.890 58.121 56.287 -0.093 0.000 0.929 115 K CB -0.668 31.693 32.500 -0.232 0.000 0.714 115 K HN 0.336 nan 8.250 nan 0.000 0.440 116 G N 0.301 108.968 108.800 -0.222 0.000 2.421 116 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 116 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 116 G C 1.454 176.205 174.900 -0.249 0.000 1.143 116 G CA 0.087 45.066 45.100 -0.203 0.000 0.784 116 G HN 0.132 nan 8.290 nan 0.000 0.541 117 R N 0.917 121.201 120.500 -0.359 0.000 2.105 117 R HA 0.011 4.351 4.340 -0.000 0.000 0.239 117 R C 2.174 178.037 176.300 -0.729 0.000 1.135 117 R CA 1.059 56.796 56.100 -0.604 0.000 0.967 117 R CB -0.774 28.982 30.300 -0.907 0.000 0.861 117 R HN 0.318 nan 8.270 nan 0.000 0.442 118 A N 0.710 123.216 122.820 -0.524 0.000 2.640 118 A HA 0.167 4.487 4.320 -0.000 0.000 0.282 118 A C 0.119 177.604 177.584 -0.165 0.000 1.357 118 A CA -0.201 51.659 52.037 -0.295 0.000 0.946 118 A CB -0.128 18.815 19.000 -0.095 0.000 1.065 118 A HN 0.116 nan 8.150 nan 0.000 0.541 119 N N 0.130 118.732 118.700 -0.163 0.000 2.646 119 N HA 0.087 4.827 4.740 -0.000 0.000 0.296 119 N C 0.941 176.407 175.510 -0.075 0.000 1.886 119 N CA -0.233 52.763 53.050 -0.089 0.000 0.855 119 N CB 0.368 38.816 38.487 -0.065 0.000 1.336 119 N HN 0.462 nan 8.380 nan 0.000 0.496 120 R N -0.100 120.354 120.500 -0.076 0.000 2.094 120 R HA -0.042 4.298 4.340 -0.000 0.000 0.239 120 R C 0.031 176.320 176.300 -0.018 0.000 1.137 120 R CA 1.341 57.416 56.100 -0.042 0.000 0.943 120 R CB 0.212 30.496 30.300 -0.026 0.000 0.850 120 R HN -0.039 nan 8.270 nan 0.000 0.433 121 V N 4.061 123.970 119.914 -0.009 0.000 2.284 121 V HA 0.236 4.356 4.120 -0.000 0.000 0.274 121 V C -2.268 173.836 176.094 0.018 0.000 1.023 121 V CA -1.828 60.478 62.300 0.009 0.000 0.808 121 V CB 1.389 33.225 31.823 0.022 0.000 1.035 121 V HN 0.214 nan 8.190 nan 0.000 0.445 122 P HA -0.062 nan 4.420 nan 0.000 0.257 122 P C 0.356 177.686 177.300 0.050 0.000 1.162 122 P CA 0.689 63.801 63.100 0.021 0.000 0.762 122 P CB 0.083 31.791 31.700 0.012 0.000 0.753 123 N N -0.738 118.010 118.700 0.079 0.000 2.721 123 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 123 N C 0.356 175.951 175.510 0.142 0.000 1.072 123 N CA 1.194 54.319 53.050 0.125 0.000 0.710 123 N CB -1.553 36.985 38.487 0.084 0.000 0.993 123 N HN 0.618 nan 8.380 nan 0.000 0.547 124 A N -0.009 122.909 122.820 0.162 0.000 2.429 124 A HA 0.269 4.589 4.320 -0.000 0.000 0.242 124 A C 1.700 179.411 177.584 0.212 0.000 1.088 124 A CA -0.019 52.111 52.037 0.156 0.000 0.784 124 A CB 0.292 19.370 19.000 0.130 0.000 1.038 124 A HN 0.320 nan 8.150 nan 0.000 0.501 125 L N 0.191 121.490 121.223 0.126 0.000 2.270 125 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 125 L C 1.171 178.115 176.870 0.123 0.000 1.104 125 L CA 1.215 56.094 54.840 0.065 0.000 0.804 125 L CB -0.708 41.368 42.059 0.028 0.000 0.937 125 L HN 0.902 nan 8.230 nan 0.000 0.450 126 T N -4.107 110.568 114.554 0.201 0.000 2.945 126 T HA 0.257 4.607 4.350 -0.000 0.000 0.286 126 T C 0.687 175.577 174.700 0.317 0.000 1.025 126 T CA -0.654 61.581 62.100 0.226 0.000 1.039 126 T CB 2.503 71.441 68.868 0.117 0.000 1.068 126 T HN -0.056 nan 8.240 nan 0.000 0.497 127 M N 0.115 119.877 119.600 0.270 0.000 2.200 127 M HA 0.046 4.526 4.480 -0.000 0.000 0.265 127 M C 2.434 178.724 176.300 -0.017 0.000 1.066 127 M CA 1.218 56.534 55.300 0.026 0.000 1.127 127 M CB -0.177 32.461 32.600 0.063 0.000 1.379 127 M HN 0.690 nan 8.290 nan 0.000 0.420 128 R N 0.691 121.213 120.500 0.037 0.000 2.105 128 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 128 R C 1.734 178.042 176.300 0.013 0.000 1.135 128 R CA 1.974 58.087 56.100 0.021 0.000 0.967 128 R CB -0.375 29.942 30.300 0.028 0.000 0.861 128 R HN 0.488 nan 8.270 nan 0.000 0.442 129 E N -0.906 119.312 120.200 0.030 0.000 2.046 129 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 129 E C 1.866 178.469 176.600 0.005 0.000 0.982 129 E CA 1.378 57.795 56.400 0.029 0.000 0.800 129 E CB -0.117 29.617 29.700 0.057 0.000 0.756 129 E HN 0.166 nan 8.360 nan 0.000 0.449 130 V N 1.268 121.170 119.914 -0.020 0.000 2.515 130 V HA -0.104 4.016 4.120 -0.000 0.000 0.250 130 V C 1.139 177.174 176.094 -0.098 0.000 1.058 130 V CA 0.877 63.130 62.300 -0.077 0.000 1.064 130 V CB -0.027 31.674 31.823 -0.204 0.000 0.675 130 V HN 0.066 nan 8.190 nan 0.000 0.461 131 L N 0.236 121.410 121.223 -0.082 0.000 2.416 131 L HA 0.373 4.713 4.340 -0.000 0.000 0.262 131 L C -2.088 174.770 176.870 -0.020 0.000 1.093 131 L CA -1.893 52.923 54.840 -0.041 0.000 0.801 131 L CB 0.616 42.674 42.059 -0.001 0.000 1.191 131 L HN 0.029 nan 8.230 nan 0.000 0.459 132 P HA -0.006 nan 4.420 nan 0.000 0.273 132 P C -0.096 177.191 177.300 -0.021 0.000 1.250 132 P CA -0.293 62.801 63.100 -0.010 0.000 0.793 132 P CB 0.490 32.193 31.700 0.006 0.000 1.011 133 Q N 0.759 120.529 119.800 -0.050 0.000 2.124 133 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 133 Q C 1.880 177.820 176.000 -0.100 0.000 0.977 133 Q CA 1.998 57.766 55.803 -0.060 0.000 0.850 133 Q CB -0.989 27.732 28.738 -0.028 0.000 0.901 133 Q HN 0.679 nan 8.270 nan 0.000 0.429 134 G N -0.351 108.342 108.800 -0.178 0.000 2.776 134 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.209 134 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.209 134 G C 0.418 175.294 174.900 -0.039 0.000 1.145 134 G CA 0.526 45.545 45.100 -0.134 0.000 0.791 134 G HN 0.311 nan 8.290 nan 0.000 0.530 135 D N 0.504 120.896 120.400 -0.012 0.000 2.369 135 D HA 0.026 4.666 4.640 -0.000 0.000 0.211 135 D C 1.998 178.308 176.300 0.016 0.000 1.077 135 D CA 0.264 54.288 54.000 0.039 0.000 0.842 135 D CB 0.184 41.016 40.800 0.053 0.000 0.947 135 D HN 0.372 nan 8.370 nan 0.000 0.509 136 D N 0.866 121.251 120.400 -0.025 0.000 2.133 136 D HA -0.197 4.443 4.640 -0.000 0.000 0.192 136 D C 2.018 178.265 176.300 -0.088 0.000 1.001 136 D CA 1.728 55.709 54.000 -0.032 0.000 0.844 136 D CB -0.840 39.957 40.800 -0.004 0.000 0.944 136 D HN 0.278 nan 8.370 nan 0.000 0.447 137 V N -2.651 117.132 119.914 -0.218 0.000 2.667 137 V HA -0.029 4.091 4.120 -0.000 0.000 0.252 137 V C 2.333 178.111 176.094 -0.527 0.000 1.065 137 V CA 0.924 62.980 62.300 -0.406 0.000 1.083 137 V CB -1.175 30.267 31.823 -0.634 0.000 0.692 137 V HN -0.031 nan 8.190 nan 0.000 0.468 138 F N 0.092 119.834 119.950 -0.346 0.000 2.416 138 F HA 0.183 4.710 4.527 -0.000 0.000 0.296 138 F C 2.330 178.069 175.800 -0.101 0.000 1.099 138 F CA 1.193 58.952 58.000 -0.402 0.000 1.427 138 F CB -0.313 38.325 39.000 -0.604 0.000 1.079 138 F HN -0.016 nan 8.300 nan 0.000 0.536 139 V N -0.324 119.633 119.914 0.072 0.000 2.407 139 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 139 V C 2.074 178.202 176.094 0.058 0.000 1.041 139 V CA 1.699 64.045 62.300 0.077 0.000 1.040 139 V CB -0.348 31.500 31.823 0.043 0.000 0.671 139 V HN 0.219 nan 8.190 nan 0.000 0.455 140 E N 0.197 120.399 120.200 0.003 0.000 2.153 140 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 140 E C 2.098 178.706 176.600 0.013 0.000 0.988 140 E CA 1.163 57.558 56.400 -0.007 0.000 0.811 140 E CB -0.330 29.341 29.700 -0.048 0.000 0.746 140 E HN 0.617 nan 8.360 nan 0.000 0.466 141 G N -0.781 108.044 108.800 0.043 0.000 2.985 141 G HA2 0.129 4.089 3.960 -0.000 0.000 0.209 141 G HA3 0.129 4.089 3.960 -0.000 0.000 0.209 141 G C 0.951 175.964 174.900 0.188 0.000 1.165 141 G CA 0.160 45.339 45.100 0.132 0.000 0.776 141 G HN 0.383 nan 8.290 nan 0.000 0.541 142 G N -0.975 107.925 108.800 0.167 0.000 2.198 142 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 142 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 142 G C 0.071 175.054 174.900 0.139 0.000 1.042 142 G CA -0.065 45.107 45.100 0.120 0.000 0.791 142 G HN 0.371 nan 8.290 nan 0.000 0.502 143 Y N -0.511 119.827 120.300 0.065 0.000 2.326 143 Y HA 0.499 5.049 4.550 -0.000 0.000 0.333 143 Y C 1.593 177.515 175.900 0.038 0.000 1.240 143 Y CA -0.500 57.643 58.100 0.072 0.000 1.365 143 Y CB 0.587 39.136 38.460 0.148 0.000 1.289 143 Y HN 0.193 nan 8.280 nan 0.000 0.548 144 I N 3.957 124.603 120.570 0.126 0.000 2.395 144 I HA 0.196 4.366 4.170 -0.000 0.000 0.289 144 I C -0.018 176.153 176.117 0.090 0.000 1.023 144 I CA -0.610 60.738 61.300 0.080 0.000 1.350 144 I CB 0.979 38.994 38.000 0.025 0.000 1.409 144 I HN 0.380 nan 8.210 nan 0.000 0.507 145 R N 5.605 126.146 120.500 0.069 0.000 2.346 145 R HA 0.580 4.920 4.340 -0.000 0.000 0.311 145 R C -1.509 174.813 176.300 0.038 0.000 0.983 145 R CA -0.515 55.607 56.100 0.037 0.000 0.880 145 R CB 1.199 31.538 30.300 0.065 0.000 1.100 145 R HN 0.396 nan 8.270 nan 0.000 0.453 146 V N 5.334 125.226 119.914 -0.037 0.000 2.531 146 V HA 0.526 4.646 4.120 -0.000 0.000 0.301 146 V C -0.870 175.160 176.094 -0.107 0.000 1.034 146 V CA -0.688 61.608 62.300 -0.006 0.000 0.865 146 V CB 1.485 33.310 31.823 0.003 0.000 0.995 146 V HN 0.607 nan 8.190 nan 0.000 0.424 147 F N 3.206 123.175 119.950 0.031 0.000 2.477 147 F HA 0.606 5.133 4.527 -0.000 0.000 0.335 147 F C 0.085 175.926 175.800 0.068 0.000 1.130 147 F CA -0.214 57.812 58.000 0.044 0.000 0.948 147 F CB 1.973 40.996 39.000 0.039 0.000 1.154 147 F HN 0.527 nan 8.300 nan 0.000 0.439 148 Q N 3.780 123.716 119.800 0.228 0.000 2.356 148 Q HA 0.280 4.620 4.340 -0.000 0.000 0.270 148 Q C -1.553 174.555 176.000 0.181 0.000 1.058 148 Q CA -0.968 54.944 55.803 0.182 0.000 0.802 148 Q CB 1.760 30.553 28.738 0.091 0.000 1.303 148 Q HN 0.466 nan 8.270 nan 0.000 0.444 149 D N 4.240 124.758 120.400 0.196 0.000 2.383 149 D HA 0.176 4.816 4.640 -0.000 0.000 0.252 149 D C 0.393 176.757 176.300 0.108 0.000 1.166 149 D CA 0.084 54.163 54.000 0.130 0.000 0.879 149 D CB 0.503 41.387 40.800 0.140 0.000 1.164 149 D HN 0.568 nan 8.370 nan 0.000 0.462 150 I N -0.586 120.031 120.570 0.077 0.000 3.004 150 I HA 0.217 4.387 4.170 -0.000 0.000 0.287 150 I C 0.896 177.084 176.117 0.118 0.000 1.144 150 I CA -0.872 60.496 61.300 0.112 0.000 1.353 150 I CB 0.602 38.693 38.000 0.151 0.000 1.417 150 I HN 0.161 nan 8.210 nan 0.000 0.602 151 R N 2.979 123.573 120.500 0.157 0.000 2.481 151 R HA 0.083 4.423 4.340 -0.000 0.000 0.291 151 R C 1.051 177.462 176.300 0.185 0.000 0.934 151 R CA 1.319 57.513 56.100 0.157 0.000 1.116 151 R CB -0.437 29.963 30.300 0.167 0.000 0.895 151 R HN 1.182 nan 8.270 nan 0.000 0.410 152 G N 2.918 111.795 108.800 0.127 0.000 2.148 152 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 152 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 152 G C -0.347 174.556 174.900 0.005 0.000 0.981 152 G CA 0.313 45.485 45.100 0.119 0.000 0.670 152 G HN 0.512 nan 8.290 nan 0.000 0.528 153 K N -0.896 119.473 120.400 -0.051 0.000 2.324 153 K HA 0.659 4.979 4.320 -0.000 0.000 0.253 153 K C 0.888 177.485 176.600 -0.005 0.000 0.932 153 K CA -0.954 55.239 56.287 -0.157 0.000 0.799 153 K CB 1.281 33.615 32.500 -0.277 0.000 1.154 153 K HN 0.143 nan 8.250 nan 0.000 0.425 154 Y N 0.414 120.619 120.300 -0.157 0.000 2.752 154 Y HA -0.473 4.077 4.550 -0.000 0.000 0.475 154 Y C 1.766 177.582 175.900 -0.141 0.000 1.092 154 Y CA 2.415 60.424 58.100 -0.151 0.000 2.893 154 Y CB -1.414 36.937 38.460 -0.183 0.000 1.111 154 Y HN 0.771 nan 8.280 nan 0.000 0.608 155 G N -0.573 108.231 108.800 0.007 0.000 2.623 155 G HA2 0.180 4.140 3.960 -0.000 0.000 0.214 155 G HA3 0.180 4.140 3.960 -0.000 0.000 0.214 155 G C 0.435 175.403 174.900 0.113 0.000 1.138 155 G CA 0.740 45.813 45.100 -0.044 0.000 0.794 155 G HN 0.320 nan 8.290 nan 0.000 0.535 156 S N 0.233 115.999 115.700 0.109 0.000 2.603 156 S HA 0.378 4.848 4.470 -0.000 0.000 0.268 156 S C 0.303 174.942 174.600 0.064 0.000 1.317 156 S CA -0.431 57.831 58.200 0.103 0.000 1.012 156 S CB 1.245 64.504 63.200 0.099 0.000 0.926 156 S HN 0.440 nan 8.310 nan 0.000 0.539 157 Q N 0.120 119.956 119.800 0.060 0.000 2.199 157 Q HA 0.679 5.019 4.340 -0.000 0.000 0.205 157 Q C 0.629 176.665 176.000 0.059 0.000 1.001 157 Q CA -0.490 55.342 55.803 0.048 0.000 1.019 157 Q CB 0.674 29.436 28.738 0.040 0.000 1.132 157 Q HN 0.949 nan 8.270 nan 0.000 0.530 158 G N 0.432 109.266 108.800 0.056 0.000 2.660 158 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.247 158 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.247 158 G C -1.534 173.416 174.900 0.083 0.000 1.328 158 G CA -0.721 44.420 45.100 0.069 0.000 0.884 158 G HN 0.563 nan 8.290 nan 0.000 0.531 159 D N -0.277 120.182 120.400 0.098 0.000 2.175 159 D HA 0.500 5.140 4.640 -0.000 0.000 0.248 159 D C -0.425 175.984 176.300 0.181 0.000 1.047 159 D CA 0.002 54.069 54.000 0.113 0.000 0.883 159 D CB 1.547 42.395 40.800 0.081 0.000 1.180 159 D HN 0.510 nan 8.370 nan 0.000 0.438 160 Y N 1.385 121.713 120.300 0.048 0.000 2.320 160 Y HA 0.415 4.965 4.550 -0.000 0.000 0.334 160 Y C -0.943 175.006 175.900 0.082 0.000 1.055 160 Y CA -0.528 57.610 58.100 0.062 0.000 1.143 160 Y CB 0.914 39.395 38.460 0.034 0.000 1.193 160 Y HN 0.047 nan 8.280 nan 0.000 0.477 161 V N 8.261 127.894 119.914 -0.469 0.000 2.483 161 V HA 0.152 4.272 4.120 -0.000 0.000 0.297 161 V C -0.163 175.520 176.094 -0.685 0.000 1.027 161 V CA -1.004 61.038 62.300 -0.429 0.000 0.855 161 V CB 1.335 33.109 31.823 -0.083 0.000 0.995 161 V HN 0.879 nan 8.190 nan 0.000 0.424 162 M N 6.160 125.329 119.600 -0.718 0.000 2.408 162 M HA 0.106 4.586 4.480 -0.000 0.000 0.363 162 M C 0.914 177.054 176.300 -0.267 0.000 1.636 162 M CA 0.879 55.835 55.300 -0.574 0.000 1.029 162 M CB -0.933 31.006 32.600 -1.100 0.000 2.068 162 M HN 1.115 nan 8.290 nan 0.000 0.466 163 T N 2.536 117.026 114.554 -0.106 0.000 3.433 163 T HA -0.257 4.093 4.350 -0.000 0.000 0.412 163 T C 0.078 174.853 174.700 0.124 0.000 0.768 163 T CA 0.890 62.831 62.100 -0.265 0.000 2.077 163 T CB -1.792 66.771 68.868 -0.508 0.000 1.700 163 T HN 1.008 nan 8.240 nan 0.000 0.666 164 R N 1.870 122.506 120.500 0.225 0.000 2.526 164 R HA 0.170 4.510 4.340 -0.000 0.000 0.319 164 R C -2.112 174.343 176.300 0.259 0.000 0.888 164 R CA -0.733 55.492 56.100 0.209 0.000 1.127 164 R CB 0.124 30.555 30.300 0.217 0.000 0.888 164 R HN 0.336 nan 8.270 nan 0.000 0.410 165 P HA 0.066 nan 4.420 nan 0.000 0.269 165 P C -2.430 174.946 177.300 0.127 0.000 1.209 165 P CA -1.048 62.127 63.100 0.127 0.000 0.776 165 P CB 0.357 32.068 31.700 0.017 0.000 0.876 166 P HA -0.056 nan 4.420 nan 0.000 0.269 166 P C -0.253 177.111 177.300 0.106 0.000 1.217 166 P CA 0.194 63.363 63.100 0.115 0.000 0.783 166 P CB 0.131 31.890 31.700 0.097 0.000 0.898 167 H N 0.205 119.303 119.070 0.047 0.000 3.125 167 H HA 0.346 4.902 4.556 -0.000 0.000 0.310 167 H C 0.793 176.138 175.328 0.027 0.000 0.980 167 H CA 2.120 58.188 56.048 0.034 0.000 1.422 167 H CB -0.558 29.218 29.762 0.024 0.000 1.432 167 H HN 0.776 nan 8.280 nan 0.000 0.577 168 G N 3.758 112.243 108.800 -0.525 0.000 2.441 168 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.222 168 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.222 168 G C -1.925 172.843 174.900 -0.220 0.000 1.254 168 G CA -0.353 44.494 45.100 -0.421 0.000 0.959 168 G HN 0.430 nan 8.290 nan 0.000 0.474 169 P HA 0.058 nan 4.420 nan 0.000 0.217 169 P C 1.568 178.839 177.300 -0.048 0.000 1.148 169 P CA 1.105 64.159 63.100 -0.075 0.000 0.828 169 P CB 0.054 31.718 31.700 -0.061 0.000 0.783 170 L N -3.010 118.182 121.223 -0.052 0.000 2.640 170 L HA 0.245 4.585 4.340 -0.000 0.000 0.230 170 L C 0.462 177.339 176.870 0.011 0.000 1.123 170 L CA 0.133 54.962 54.840 -0.019 0.000 0.900 170 L CB -0.182 41.834 42.059 -0.070 0.000 1.146 170 L HN -0.044 nan 8.230 nan 0.000 0.484 171 N N 0.572 119.271 118.700 -0.002 0.000 2.701 171 N HA 0.184 4.924 4.740 -0.000 0.000 0.258 171 N C -2.414 173.139 175.510 0.070 0.000 1.262 171 N CA -1.037 52.044 53.050 0.052 0.000 0.780 171 N CB 1.651 40.192 38.487 0.091 0.000 1.380 171 N HN -0.253 nan 8.380 nan 0.000 0.548 172 P HA 0.104 nan 4.420 nan 0.000 0.257 172 P C 0.079 177.480 177.300 0.169 0.000 1.281 172 P CA 0.191 63.359 63.100 0.112 0.000 0.826 172 P CB -0.061 31.674 31.700 0.059 0.000 1.237 173 T N -2.805 111.847 114.554 0.163 0.000 2.824 173 T HA 0.291 4.641 4.350 -0.000 0.000 0.277 173 T C 1.167 175.913 174.700 0.077 0.000 0.975 173 T CA -0.625 61.539 62.100 0.107 0.000 0.966 173 T CB 1.242 70.160 68.868 0.083 0.000 1.054 173 T HN -0.178 nan 8.240 nan 0.000 0.533 174 K N 0.535 120.941 120.400 0.010 0.000 2.459 174 K HA 0.095 4.415 4.320 -0.000 0.000 0.193 174 K C 0.825 177.398 176.600 -0.046 0.000 1.030 174 K CA 0.406 56.655 56.287 -0.063 0.000 1.026 174 K CB -0.113 32.357 32.500 -0.049 0.000 0.809 174 K HN 0.871 nan 8.250 nan 0.000 0.504 175 T N 0.007 114.572 114.554 0.018 0.000 2.924 175 T HA 0.500 4.850 4.350 -0.000 0.000 0.291 175 T C -0.597 174.154 174.700 0.085 0.000 1.045 175 T CA -0.948 61.179 62.100 0.045 0.000 1.015 175 T CB 2.381 71.285 68.868 0.060 0.000 1.103 175 T HN 0.095 nan 8.240 nan 0.000 0.496 176 D N -0.787 119.673 120.400 0.100 0.000 2.809 176 D HA 0.162 4.802 4.640 -0.000 0.000 0.336 176 D C 0.304 176.687 176.300 0.137 0.000 1.367 176 D CA -0.625 53.453 54.000 0.129 0.000 0.815 176 D CB 0.118 40.999 40.800 0.135 0.000 1.381 176 D HN 0.318 nan 8.370 nan 0.000 0.471 177 E N -0.524 119.765 120.200 0.149 0.000 2.409 177 E HA -0.015 4.335 4.350 -0.000 0.000 0.198 177 E C 1.310 177.975 176.600 0.109 0.000 1.024 177 E CA 1.223 57.707 56.400 0.140 0.000 0.861 177 E CB -0.330 29.443 29.700 0.121 0.000 0.788 177 E HN 0.591 nan 8.360 nan 0.000 0.521 178 T N -0.203 114.416 114.554 0.110 0.000 2.852 178 T HA -0.092 4.258 4.350 -0.000 0.000 0.256 178 T C 2.110 176.922 174.700 0.186 0.000 1.038 178 T CA 1.691 63.869 62.100 0.130 0.000 1.141 178 T CB -0.416 68.518 68.868 0.110 0.000 0.869 178 T HN 0.363 nan 8.240 nan 0.000 0.439 179 T N 0.896 115.535 114.554 0.141 0.000 2.821 179 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 179 T C 1.594 176.426 174.700 0.219 0.000 1.046 179 T CA 1.228 63.417 62.100 0.149 0.000 1.139 179 T CB -0.577 68.319 68.868 0.046 0.000 0.871 179 T HN 0.076 nan 8.240 nan 0.000 0.454 180 D N 1.995 122.497 120.400 0.171 0.000 2.123 180 D HA 0.037 4.677 4.640 -0.000 0.000 0.196 180 D C 2.441 178.843 176.300 0.171 0.000 0.992 180 D CA 1.554 55.649 54.000 0.159 0.000 0.833 180 D CB -0.634 40.250 40.800 0.140 0.000 0.954 180 D HN 0.583 nan 8.370 nan 0.000 0.455 181 A N -0.391 122.535 122.820 0.177 0.000 1.897 181 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 181 A C 2.181 179.873 177.584 0.180 0.000 1.181 181 A CA 1.071 53.195 52.037 0.146 0.000 0.620 181 A CB -1.192 17.881 19.000 0.122 0.000 0.821 181 A HN 0.385 nan 8.150 nan 0.000 0.443 182 W N 1.198 122.551 121.300 0.088 0.000 2.335 182 W HA -0.215 4.445 4.660 -0.000 0.000 0.311 182 W C 1.390 177.986 176.519 0.129 0.000 1.213 182 W CA 2.061 59.488 57.345 0.137 0.000 1.274 182 W CB -0.013 29.532 29.460 0.141 0.000 1.148 182 W HN 0.397 nan 8.180 nan 0.000 0.498 183 D N -1.039 119.670 120.400 0.514 0.000 2.144 183 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 183 D C 2.203 178.618 176.300 0.191 0.000 0.978 183 D CA 2.094 56.327 54.000 0.388 0.000 0.833 183 D CB -0.835 40.139 40.800 0.291 0.000 0.961 183 D HN 0.080 nan 8.370 nan 0.000 0.470 184 T N 0.170 114.800 114.554 0.126 0.000 2.643 184 T HA -0.111 4.239 4.350 -0.000 0.000 0.264 184 T C 2.213 176.932 174.700 0.030 0.000 1.045 184 T CA 0.966 63.118 62.100 0.086 0.000 1.155 184 T CB -0.502 68.400 68.868 0.056 0.000 0.863 184 T HN -0.054 nan 8.240 nan 0.000 0.420 185 V N 1.695 121.538 119.914 -0.117 0.000 2.380 185 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 185 V C 2.315 178.091 176.094 -0.530 0.000 1.063 185 V CA 2.180 64.293 62.300 -0.310 0.000 1.055 185 V CB -0.680 30.900 31.823 -0.405 0.000 0.657 185 V HN 0.530 nan 8.190 nan 0.000 0.455 186 D N -1.410 118.607 120.400 -0.638 0.000 2.078 186 D HA -0.276 4.364 4.640 -0.000 0.000 0.193 186 D C 1.883 178.206 176.300 0.038 0.000 0.990 186 D CA 1.843 55.559 54.000 -0.473 0.000 0.827 186 D CB -0.289 40.412 40.800 -0.165 0.000 0.975 186 D HN 0.527 nan 8.370 nan 0.000 0.451 187 W N 0.701 121.975 121.300 -0.042 0.000 2.342 187 W HA -0.143 4.517 4.660 -0.000 0.000 0.297 187 W C 1.907 178.423 176.519 -0.005 0.000 1.213 187 W CA 1.253 58.610 57.345 0.020 0.000 1.251 187 W CB -0.239 29.226 29.460 0.007 0.000 1.136 187 W HN 0.066 nan 8.180 nan 0.000 0.526 188 L N 0.115 121.434 121.223 0.160 0.000 2.017 188 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 188 L C 2.366 179.103 176.870 -0.221 0.000 1.073 188 L CA 1.586 56.426 54.840 0.000 0.000 0.745 188 L CB -1.353 40.731 42.059 0.043 0.000 0.894 188 L HN 0.016 nan 8.230 nan 0.000 0.432 189 V N -4.273 115.482 119.914 -0.265 0.000 3.541 189 V HA -0.124 3.996 4.120 -0.000 0.000 0.272 189 V C 1.174 176.949 176.094 -0.531 0.000 1.215 189 V CA 1.200 63.277 62.300 -0.371 0.000 1.176 189 V CB -1.098 30.484 31.823 -0.402 0.000 0.854 189 V HN 0.477 nan 8.190 nan 0.000 0.496 190 H N -0.487 118.394 119.070 -0.316 0.000 3.400 190 H HA 0.398 4.954 4.556 -0.000 0.000 0.251 190 H C 1.070 176.131 175.328 -0.446 0.000 1.040 190 H CA 0.418 56.275 56.048 -0.318 0.000 1.175 190 H CB 0.553 30.150 29.762 -0.274 0.000 1.487 190 H HN 0.396 nan 8.280 nan 0.000 0.505 191 N N 0.742 119.080 118.700 -0.603 0.000 2.365 191 N HA 0.153 4.893 4.740 -0.000 0.000 0.257 191 N C -0.943 174.256 175.510 -0.518 0.000 1.287 191 N CA 0.281 52.890 53.050 -0.736 0.000 0.882 191 N CB 2.670 40.280 38.487 -1.461 0.000 1.250 191 N HN -0.063 nan 8.380 nan 0.000 0.507 192 V N 2.093 121.809 119.914 -0.330 0.000 2.383 192 V HA 0.223 4.343 4.120 -0.000 0.000 0.264 192 V C -1.833 174.177 176.094 -0.139 0.000 1.001 192 V CA -1.069 61.122 62.300 -0.181 0.000 0.828 192 V CB 1.978 33.724 31.823 -0.127 0.000 1.069 192 V HN -0.099 nan 8.190 nan 0.000 0.451 193 P HA -0.113 nan 4.420 nan 0.000 0.218 193 P C 1.233 178.489 177.300 -0.074 0.000 1.148 193 P CA 1.096 64.142 63.100 -0.091 0.000 0.822 193 P CB 0.485 32.144 31.700 -0.070 0.000 0.784 194 E N -0.281 119.883 120.200 -0.060 0.000 2.204 194 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 194 E C 1.015 177.577 176.600 -0.064 0.000 0.989 194 E CA 0.559 56.930 56.400 -0.048 0.000 0.824 194 E CB -0.532 29.152 29.700 -0.026 0.000 0.756 194 E HN 0.308 nan 8.360 nan 0.000 0.477 195 S N 1.284 116.936 115.700 -0.079 0.000 2.617 195 S HA 0.107 4.577 4.470 -0.000 0.000 0.269 195 S C 0.701 175.234 174.600 -0.111 0.000 1.292 195 S CA -0.648 57.493 58.200 -0.097 0.000 1.010 195 S CB 0.780 63.919 63.200 -0.102 0.000 0.944 195 S HN 0.205 nan 8.310 nan 0.000 0.536 196 N N 0.430 119.058 118.700 -0.121 0.000 2.322 196 N HA 0.169 4.909 4.740 -0.000 0.000 0.216 196 N C 0.988 176.420 175.510 -0.130 0.000 1.144 196 N CA 0.226 53.205 53.050 -0.118 0.000 0.830 196 N CB -0.714 37.704 38.487 -0.115 0.000 1.034 196 N HN 1.323 nan 8.380 nan 0.000 0.484 197 G N 1.024 109.735 108.800 -0.148 0.000 2.305 197 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.287 197 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.287 197 G C -0.572 174.238 174.900 -0.150 0.000 1.036 197 G CA -0.141 44.854 45.100 -0.175 0.000 0.887 197 G HN 0.433 nan 8.290 nan 0.000 0.505 198 R N -0.520 119.900 120.500 -0.134 0.000 2.409 198 R HA 0.515 4.855 4.340 -0.000 0.000 0.313 198 R C -0.453 175.781 176.300 -0.110 0.000 0.953 198 R CA -0.669 55.361 56.100 -0.117 0.000 0.849 198 R CB 2.149 32.383 30.300 -0.110 0.000 1.171 198 R HN 0.118 nan 8.270 nan 0.000 0.458 199 V N 1.497 121.343 119.914 -0.113 0.000 2.483 199 V HA 0.670 4.790 4.120 -0.000 0.000 0.295 199 V C 0.610 176.630 176.094 -0.123 0.000 1.035 199 V CA -0.765 61.474 62.300 -0.103 0.000 0.896 199 V CB 1.980 33.732 31.823 -0.119 0.000 0.986 199 V HN 0.887 nan 8.190 nan 0.000 0.447 200 G N 3.754 112.495 108.800 -0.098 0.000 2.513 200 G HA2 0.706 4.666 3.960 -0.000 0.000 0.317 200 G HA3 0.706 4.666 3.960 -0.000 0.000 0.317 200 G C -1.020 173.869 174.900 -0.019 0.000 1.277 200 G CA -0.670 44.313 45.100 -0.196 0.000 0.955 200 G HN 0.516 nan 8.290 nan 0.000 0.484 201 M N 1.308 120.924 119.600 0.027 0.000 2.456 201 M HA 0.602 5.082 4.480 -0.000 0.000 0.324 201 M C -0.299 176.122 176.300 0.201 0.000 1.124 201 M CA -0.530 54.816 55.300 0.077 0.000 0.959 201 M CB 2.668 35.276 32.600 0.014 0.000 1.692 201 M HN 0.608 nan 8.290 nan 0.000 0.444 202 T N 1.079 115.684 114.554 0.086 0.000 2.739 202 T HA 0.870 5.220 4.350 -0.000 0.000 0.303 202 T C -1.368 173.348 174.700 0.027 0.000 1.389 202 T CA 0.015 62.159 62.100 0.074 0.000 1.001 202 T CB 2.122 71.052 68.868 0.103 0.000 1.436 202 T HN 1.009 nan 8.240 nan 0.000 0.500 203 G N 0.810 109.646 108.800 0.059 0.000 2.352 203 G HA2 0.422 4.382 3.960 -0.000 0.000 0.303 203 G HA3 0.422 4.382 3.960 -0.000 0.000 0.303 203 G C -1.355 173.630 174.900 0.142 0.000 1.593 203 G CA -0.128 45.038 45.100 0.111 0.000 0.963 203 G HN 0.736 nan 8.290 nan 0.000 0.685 204 S N -0.154 115.651 115.700 0.174 0.000 2.509 204 S HA 0.813 5.283 4.470 -0.000 0.000 0.297 204 S C 1.003 175.767 174.600 0.274 0.000 1.118 204 S CA 1.434 59.726 58.200 0.154 0.000 1.074 204 S CB 1.235 64.461 63.200 0.043 0.000 1.038 204 S HN 2.613 nan 8.310 nan 0.000 0.498 205 S N 3.873 119.756 115.700 0.304 0.000 4.151 205 S HA -0.351 4.119 4.470 -0.000 0.000 0.603 205 S C 0.987 175.859 174.600 0.453 0.000 1.878 205 S CA 1.738 60.203 58.200 0.441 0.000 4.246 205 S CB -1.955 61.605 63.200 0.599 0.000 0.211 205 S HN 0.970 nan 8.310 nan 0.000 0.469 206 Y N 2.113 122.652 120.300 0.398 0.000 2.181 206 Y HA -0.019 4.531 4.550 -0.000 0.000 0.288 206 Y C 2.760 178.896 175.900 0.393 0.000 1.146 206 Y CA 2.090 60.412 58.100 0.369 0.000 1.164 206 Y CB -0.306 38.326 38.460 0.287 0.000 0.982 206 Y HN 0.694 nan 8.280 nan 0.000 0.515 207 E N -0.822 119.724 120.200 0.576 0.000 2.204 207 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 207 E C 2.207 179.002 176.600 0.326 0.000 0.990 207 E CA 0.875 57.517 56.400 0.402 0.000 0.821 207 E CB -0.295 29.615 29.700 0.350 0.000 0.750 207 E HN 0.621 nan 8.360 nan 0.000 0.477 208 G N 0.276 109.278 108.800 0.337 0.000 2.494 208 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 208 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 208 G C 1.270 176.348 174.900 0.298 0.000 1.140 208 G CA -0.014 45.244 45.100 0.263 0.000 0.801 208 G HN 0.268 nan 8.290 nan 0.000 0.536 209 F N 3.146 123.227 119.950 0.218 0.000 2.134 209 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 209 F C 2.846 178.761 175.800 0.192 0.000 1.097 209 F CA 2.273 60.376 58.000 0.172 0.000 1.264 209 F CB -0.552 38.466 39.000 0.031 0.000 1.001 209 F HN 0.170 nan 8.300 nan 0.000 0.479 210 T N -1.727 112.927 114.554 0.166 0.000 2.833 210 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 210 T C 1.982 176.677 174.700 -0.009 0.000 1.054 210 T CA 1.418 63.541 62.100 0.039 0.000 1.135 210 T CB -1.316 67.691 68.868 0.232 0.000 0.869 210 T HN 0.189 nan 8.240 nan 0.000 0.466 211 V N 1.553 121.494 119.914 0.046 0.000 2.261 211 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 211 V C 2.947 179.043 176.094 0.002 0.000 1.047 211 V CA 1.487 63.801 62.300 0.024 0.000 1.015 211 V CB -0.843 30.996 31.823 0.027 0.000 0.642 211 V HN 0.395 nan 8.190 nan 0.000 0.446 212 V N -0.641 119.289 119.914 0.026 0.000 2.343 212 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 212 V C 2.549 178.656 176.094 0.022 0.000 1.051 212 V CA 1.883 64.245 62.300 0.103 0.000 1.036 212 V CB -0.701 31.273 31.823 0.252 0.000 0.654 212 V HN 0.393 nan 8.190 nan 0.000 0.451 213 M N 0.170 119.681 119.600 -0.149 0.000 2.080 213 M HA -0.144 4.336 4.480 -0.000 0.000 0.260 213 M C 2.408 178.703 176.300 -0.009 0.000 1.068 213 M CA 2.323 57.533 55.300 -0.150 0.000 1.109 213 M CB -1.474 30.922 32.600 -0.340 0.000 1.342 213 M HN 0.421 nan 8.290 nan 0.000 0.405 214 A N -0.462 122.364 122.820 0.009 0.000 2.070 214 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 214 A C 2.232 179.870 177.584 0.089 0.000 1.159 214 A CA 1.061 53.141 52.037 0.071 0.000 0.656 214 A CB -0.850 18.187 19.000 0.061 0.000 0.800 214 A HN 0.474 nan 8.150 nan 0.000 0.453 215 L N -0.653 120.614 121.223 0.073 0.000 2.478 215 L HA -0.006 4.334 4.340 -0.000 0.000 0.223 215 L C 2.129 179.068 176.870 0.116 0.000 1.140 215 L CA 0.157 55.052 54.840 0.092 0.000 0.842 215 L CB -0.177 41.942 42.059 0.100 0.000 0.953 215 L HN 0.394 nan 8.230 nan 0.000 0.452 216 L N -0.870 120.419 121.223 0.111 0.000 2.056 216 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 216 L C 0.506 177.443 176.870 0.112 0.000 1.078 216 L CA 1.054 55.960 54.840 0.110 0.000 0.749 216 L CB -0.022 42.094 42.059 0.097 0.000 0.901 216 L HN 0.182 nan 8.230 nan 0.000 0.433 217 D N -0.603 119.877 120.400 0.134 0.000 2.586 217 D HA 0.189 4.829 4.640 -0.000 0.000 0.254 217 D C -2.513 173.953 176.300 0.278 0.000 1.248 217 D CA -1.657 52.441 54.000 0.162 0.000 0.843 217 D CB 1.027 41.894 40.800 0.111 0.000 1.332 217 D HN -0.116 nan 8.370 nan 0.000 0.523 218 P HA 0.079 nan 4.420 nan 0.000 0.272 218 P C -0.024 177.432 177.300 0.261 0.000 1.223 218 P CA -0.256 62.974 63.100 0.217 0.000 0.784 218 P CB 0.746 32.508 31.700 0.104 0.000 0.923 219 H N 3.760 122.780 119.070 -0.083 0.000 2.652 219 H HA 0.098 4.654 4.556 -0.000 0.000 0.349 219 H C -1.472 173.732 175.328 -0.207 0.000 1.099 219 H CA -1.435 54.315 56.048 -0.497 0.000 1.417 219 H CB 0.692 29.803 29.762 -1.084 0.000 1.457 219 H HN 0.163 nan 8.280 nan 0.000 0.568 220 P HA -0.216 nan 4.420 nan 0.000 0.218 220 P C 1.115 178.416 177.300 0.002 0.000 1.152 220 P CA 2.438 65.450 63.100 -0.146 0.000 0.857 220 P CB -0.078 31.481 31.700 -0.235 0.000 0.787 221 A N -0.836 122.113 122.820 0.215 0.000 1.972 221 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 221 A C 1.182 178.750 177.584 -0.027 0.000 1.169 221 A CA 0.546 52.623 52.037 0.066 0.000 0.635 221 A CB -1.424 17.557 19.000 -0.032 0.000 0.810 221 A HN 0.185 nan 8.150 nan 0.000 0.446 222 L N 1.069 122.280 121.223 -0.020 0.000 2.742 222 L HA 0.044 4.384 4.340 -0.000 0.000 0.275 222 L C 0.780 177.596 176.870 -0.091 0.000 1.141 222 L CA 0.544 55.341 54.840 -0.071 0.000 0.987 222 L CB -0.302 41.730 42.059 -0.045 0.000 1.319 222 L HN 0.148 nan 8.230 nan 0.000 0.478 223 K N 3.459 123.781 120.400 -0.130 0.000 2.374 223 K HA 0.270 4.590 4.320 -0.000 0.000 0.196 223 K C -0.347 176.082 176.600 -0.285 0.000 1.023 223 K CA 0.150 56.349 56.287 -0.146 0.000 1.103 223 K CB 0.657 33.107 32.500 -0.084 0.000 0.848 223 K HN 0.417 nan 8.250 nan 0.000 0.528 224 V N -0.340 119.364 119.914 -0.349 0.000 3.106 224 V HA 0.537 4.657 4.120 -0.000 0.000 0.280 224 V C -2.116 173.750 176.094 -0.381 0.000 1.525 224 V CA -0.801 61.204 62.300 -0.492 0.000 0.999 224 V CB 2.083 33.424 31.823 -0.804 0.000 1.186 224 V HN 0.132 nan 8.190 nan 0.000 0.448 225 A N 3.960 126.698 122.820 -0.137 0.000 2.475 225 A HA 1.051 5.371 4.320 -0.000 0.000 0.301 225 A C -0.511 177.193 177.584 0.201 0.000 1.059 225 A CA -0.121 51.941 52.037 0.041 0.000 0.710 225 A CB 2.119 21.074 19.000 -0.075 0.000 1.288 225 A HN 2.331 nan 8.150 nan 0.000 0.408 226 A N 2.536 125.482 122.820 0.210 0.000 2.876 226 A HA 0.708 5.028 4.320 -0.000 0.000 0.309 226 A C -3.198 174.291 177.584 -0.159 0.000 1.168 226 A CA -1.239 50.767 52.037 -0.052 0.000 0.762 226 A CB 0.633 19.512 19.000 -0.201 0.000 1.262 226 A HN 0.412 nan 8.150 nan 0.000 0.435 227 P HA 0.380 nan 4.420 nan 0.000 0.282 227 P C -0.553 176.749 177.300 0.004 0.000 1.262 227 P CA 0.261 63.301 63.100 -0.101 0.000 0.773 227 P CB 0.854 32.460 31.700 -0.158 0.000 0.879 228 E N 1.484 121.712 120.200 0.046 0.000 2.134 228 E HA 0.277 4.627 4.350 -0.000 0.000 0.278 228 E C -0.098 176.580 176.600 0.130 0.000 0.959 228 E CA -0.595 55.837 56.400 0.053 0.000 0.783 228 E CB 0.461 30.165 29.700 0.006 0.000 1.095 228 E HN 0.241 nan 8.360 nan 0.000 0.399 229 S N 3.130 118.927 115.700 0.162 0.000 3.247 229 S HA -0.137 4.333 4.470 -0.000 0.000 0.341 229 S C -2.170 172.611 174.600 0.301 0.000 0.924 229 S CA 0.098 58.438 58.200 0.233 0.000 1.323 229 S CB -1.346 61.977 63.200 0.204 0.000 0.918 229 S HN 0.461 nan 8.310 nan 0.000 0.523 230 P HA 0.294 nan 4.420 nan 0.000 0.278 230 P C -0.220 177.269 177.300 0.315 0.000 1.258 230 P CA -0.757 62.551 63.100 0.348 0.000 0.811 230 P CB 0.590 32.534 31.700 0.407 0.000 1.063 231 M N 1.852 121.637 119.600 0.309 0.000 2.435 231 M HA 0.104 4.584 4.480 -0.000 0.000 0.344 231 M C 0.867 177.349 176.300 0.304 0.000 1.329 231 M CA -0.366 55.038 55.300 0.173 0.000 1.320 231 M CB 0.368 32.929 32.600 -0.066 0.000 1.309 231 M HN 0.072 nan 8.290 nan 0.000 0.451 232 V N 0.170 120.253 119.914 0.281 0.000 2.492 232 V HA 0.032 4.152 4.120 -0.000 0.000 0.241 232 V C 0.573 176.826 176.094 0.266 0.000 1.041 232 V CA 1.275 63.764 62.300 0.316 0.000 1.057 232 V CB 0.181 32.192 31.823 0.313 0.000 0.711 232 V HN 0.671 nan 8.190 nan 0.000 0.468 233 D N -0.284 120.222 120.400 0.178 0.000 2.378 233 D HA 0.300 4.940 4.640 -0.000 0.000 0.265 233 D C 1.122 177.357 176.300 -0.109 0.000 1.229 233 D CA 0.347 54.370 54.000 0.039 0.000 0.914 233 D CB 1.201 41.908 40.800 -0.154 0.000 1.140 233 D HN 0.176 nan 8.370 nan 0.000 0.516 234 G N 1.480 110.296 108.800 0.027 0.000 2.479 234 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 234 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 234 G C 1.162 176.014 174.900 -0.080 0.000 1.115 234 G CA 0.334 45.384 45.100 -0.085 0.000 0.757 234 G HN 0.526 nan 8.290 nan 0.000 0.560 235 W N -0.210 120.840 121.300 -0.416 0.000 2.580 235 W HA 0.237 4.897 4.660 -0.000 0.000 0.287 235 W C 2.465 178.460 176.519 -0.872 0.000 1.175 235 W CA 0.284 57.206 57.345 -0.705 0.000 1.409 235 W CB 0.135 28.874 29.460 -1.201 0.000 1.101 235 W HN -0.024 nan 8.180 nan 0.000 0.558 236 M N 0.110 119.231 119.600 -0.798 0.000 2.084 236 M HA 0.036 4.516 4.480 -0.000 0.000 0.259 236 M C 1.523 176.950 176.300 -1.455 0.000 1.072 236 M CA 2.145 56.661 55.300 -1.308 0.000 1.107 236 M CB -1.623 29.819 32.600 -1.930 0.000 1.299 236 M HN 0.193 nan 8.290 nan 0.000 0.413 237 G N -1.123 106.892 108.800 -1.309 0.000 5.528 237 G HA2 0.228 4.188 3.960 -0.000 0.000 0.194 237 G HA3 0.228 4.188 3.960 -0.000 0.000 0.194 237 G C -0.290 174.325 174.900 -0.475 0.000 0.679 237 G CA -0.384 44.115 45.100 -1.001 0.000 0.640 237 G HN 0.217 nan 8.290 nan 0.000 0.397 238 D N -0.290 119.950 120.400 -0.267 0.000 3.059 238 D HA 0.159 4.799 4.640 -0.000 0.000 0.231 238 D C 0.981 177.199 176.300 -0.137 0.000 1.331 238 D CA -0.025 53.917 54.000 -0.098 0.000 1.288 238 D CB 0.793 41.519 40.800 -0.123 0.000 0.922 238 D HN -0.058 nan 8.370 nan 0.000 0.197 239 D N -0.829 119.300 120.400 -0.451 0.000 2.269 239 D HA 0.039 4.679 4.640 -0.000 0.000 0.220 239 D C 2.239 178.141 176.300 -0.664 0.000 0.962 239 D CA 0.424 53.993 54.000 -0.718 0.000 0.884 239 D CB 0.244 40.325 40.800 -1.198 0.000 1.023 239 D HN 0.303 nan 8.370 nan 0.000 0.484 240 W N 0.264 121.413 121.300 -0.252 0.000 2.463 240 W HA 0.062 4.722 4.660 -0.000 0.000 0.316 240 W C 0.694 176.750 176.519 -0.772 0.000 1.170 240 W CA -0.260 56.804 57.345 -0.468 0.000 1.355 240 W CB -0.333 28.989 29.460 -0.230 0.000 1.159 240 W HN -0.210 nan 8.180 nan 0.000 0.487 241 F N -1.373 118.480 119.950 -0.162 0.000 2.618 241 F HA 0.441 4.968 4.527 -0.000 0.000 0.332 241 F C -0.153 175.465 175.800 -0.304 0.000 1.061 241 F CA -1.196 56.580 58.000 -0.372 0.000 0.974 241 F CB 1.046 39.462 39.000 -0.973 0.000 1.310 241 F HN -0.252 nan 8.300 nan 0.000 0.491 242 H N 1.210 120.105 119.070 -0.291 0.000 2.991 242 H HA 0.181 4.736 4.556 -0.000 0.000 0.304 242 H C -1.157 173.874 175.328 -0.494 0.000 1.040 242 H CA -0.791 55.030 56.048 -0.378 0.000 1.410 242 H CB 0.689 30.411 29.762 -0.066 0.000 1.529 242 H HN 0.638 nan 8.280 nan 0.000 0.509 243 Y N 1.826 121.695 120.300 -0.718 0.000 3.491 243 Y HA -0.302 4.248 4.550 -0.000 0.000 0.215 243 Y C 1.522 176.841 175.900 -0.970 0.000 1.219 243 Y CA 1.635 59.234 58.100 -0.835 0.000 1.485 243 Y CB -1.741 36.383 38.460 -0.561 0.000 1.450 243 Y HN 1.116 nan 8.280 nan 0.000 0.603 244 G N -2.188 105.770 108.800 -1.404 0.000 2.258 244 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.233 244 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.233 244 G C 0.423 175.123 174.900 -0.333 0.000 1.006 244 G CA -0.059 44.314 45.100 -1.212 0.000 0.620 244 G HN 1.565 nan 8.290 nan 0.000 0.511 245 A N 0.528 123.250 122.820 -0.163 0.000 2.409 245 A HA 0.643 4.963 4.320 -0.000 0.000 0.267 245 A C -0.114 177.658 177.584 0.314 0.000 1.127 245 A CA -0.200 51.892 52.037 0.092 0.000 0.795 245 A CB 0.249 19.202 19.000 -0.077 0.000 1.061 245 A HN 1.276 nan 8.150 nan 0.000 0.502 246 F N 2.492 122.569 119.950 0.211 0.000 2.429 246 F HA 0.454 4.981 4.527 -0.000 0.000 0.348 246 F C 0.691 176.407 175.800 -0.140 0.000 1.109 246 F CA -0.334 57.657 58.000 -0.016 0.000 1.232 246 F CB 0.814 39.906 39.000 0.154 0.000 1.157 246 F HN 0.561 nan 8.300 nan 0.000 0.564 247 R N 5.697 125.388 120.500 -1.348 0.000 2.278 247 R HA 0.159 4.499 4.340 -0.000 0.000 0.322 247 R C 0.958 176.166 176.300 -1.819 0.000 1.058 247 R CA -0.362 54.909 56.100 -1.381 0.000 0.991 247 R CB 0.779 30.400 30.300 -1.131 0.000 1.140 247 R HN 0.736 nan 8.270 nan 0.000 0.518 248 Q N 1.100 120.018 119.800 -1.471 0.000 2.458 248 Q HA -0.166 4.174 4.340 -0.000 0.000 0.215 248 Q C 1.589 176.635 176.000 -1.590 0.000 0.989 248 Q CA 1.472 56.455 55.803 -1.368 0.000 0.895 248 Q CB 0.005 27.933 28.738 -1.351 0.000 0.934 248 Q HN 0.832 nan 8.270 nan 0.000 0.475 249 G N 0.726 108.375 108.800 -1.919 0.000 2.679 249 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.212 249 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.212 249 G C 1.434 175.612 174.900 -1.203 0.000 1.137 249 G CA 0.601 44.439 45.100 -2.104 0.000 0.787 249 G HN 0.411 nan 8.290 nan 0.000 0.534 250 A N 0.912 123.021 122.820 -1.185 0.000 1.898 250 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 250 A C 2.004 178.885 177.584 -1.170 0.000 1.181 250 A CA 1.122 52.532 52.037 -1.044 0.000 0.620 250 A CB -0.488 17.873 19.000 -1.065 0.000 0.819 250 A HN 0.247 nan 8.150 nan 0.000 0.442 251 F N 0.905 120.417 119.950 -0.729 0.000 2.154 251 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 251 F C 2.209 177.878 175.800 -0.218 0.000 1.087 251 F CA 1.150 58.902 58.000 -0.413 0.000 1.274 251 F CB -0.844 38.113 39.000 -0.072 0.000 1.009 251 F HN 0.282 nan 8.300 nan 0.000 0.485 252 D N -1.222 119.148 120.400 -0.051 0.000 2.097 252 D HA -0.238 4.402 4.640 -0.000 0.000 0.197 252 D C 2.152 178.462 176.300 0.015 0.000 0.984 252 D CA 1.298 55.289 54.000 -0.014 0.000 0.826 252 D CB -0.525 40.232 40.800 -0.071 0.000 0.973 252 D HN 0.364 nan 8.370 nan 0.000 0.460 253 Y N 0.779 120.992 120.300 -0.144 0.000 2.274 253 Y HA -0.213 4.337 4.550 -0.000 0.000 0.290 253 Y C 2.087 178.141 175.900 0.256 0.000 1.145 253 Y CA 1.403 59.522 58.100 0.032 0.000 1.203 253 Y CB -0.430 38.045 38.460 0.026 0.000 0.984 253 Y HN -0.054 nan 8.280 nan 0.000 0.533 254 F N -1.405 118.621 119.950 0.126 0.000 2.060 254 F HA -0.266 4.261 4.527 -0.000 0.000 0.295 254 F C 2.308 178.047 175.800 -0.100 0.000 1.120 254 F CA 0.964 58.992 58.000 0.045 0.000 1.205 254 F CB -0.647 38.386 39.000 0.055 0.000 0.986 254 F HN -0.177 nan 8.300 nan 0.000 0.470 255 V N -0.612 119.318 119.914 0.026 0.000 2.568 255 V HA -0.296 3.824 4.120 -0.000 0.000 0.253 255 V C 2.311 178.427 176.094 0.038 0.000 1.072 255 V CA 1.947 64.201 62.300 -0.075 0.000 1.084 255 V CB -0.603 31.165 31.823 -0.091 0.000 0.676 255 V HN 0.371 nan 8.190 nan 0.000 0.469 256 S N -0.493 115.214 115.700 0.012 0.000 2.325 256 S HA -0.161 4.309 4.470 -0.000 0.000 0.214 256 S C 1.884 176.468 174.600 -0.026 0.000 1.031 256 S CA 0.944 59.140 58.200 -0.006 0.000 0.972 256 S CB -0.172 63.016 63.200 -0.019 0.000 0.908 256 S HN 0.512 nan 8.310 nan 0.000 0.453 257 Q N -0.060 119.671 119.800 -0.116 0.000 2.482 257 Q HA 0.281 4.621 4.340 -0.000 0.000 0.209 257 Q C 0.988 177.016 176.000 0.046 0.000 0.961 257 Q CA 0.586 56.325 55.803 -0.108 0.000 0.945 257 Q CB 0.021 28.582 28.738 -0.294 0.000 1.012 257 Q HN 0.615 nan 8.270 nan 0.000 0.515 258 M N -2.093 117.597 119.600 0.150 0.000 2.268 258 M HA 0.087 4.567 4.480 -0.000 0.000 0.355 258 M C 1.060 177.537 176.300 0.295 0.000 0.938 258 M CA 0.088 55.555 55.300 0.278 0.000 1.025 258 M CB 0.966 33.790 32.600 0.374 0.000 1.773 258 M HN -0.139 nan 8.290 nan 0.000 0.613 259 T N 1.265 115.972 114.554 0.255 0.000 2.857 259 T HA 0.177 4.527 4.350 -0.000 0.000 0.266 259 T C 0.650 175.380 174.700 0.050 0.000 1.048 259 T CA 1.195 63.426 62.100 0.217 0.000 1.139 259 T CB 0.119 69.096 68.868 0.181 0.000 0.874 259 T HN 0.466 nan 8.240 nan 0.000 0.455 260 A N -0.364 122.451 122.820 -0.008 0.000 2.602 260 A HA 0.680 5.000 4.320 -0.000 0.000 0.290 260 A C 0.868 178.360 177.584 -0.153 0.000 1.114 260 A CA -0.621 51.372 52.037 -0.074 0.000 0.683 260 A CB 0.825 19.771 19.000 -0.090 0.000 1.281 260 A HN 0.072 nan 8.150 nan 0.000 0.416 261 R N -0.077 120.323 120.500 -0.167 0.000 2.103 261 R HA -0.101 4.239 4.340 -0.000 0.000 0.242 261 R C 1.158 177.158 176.300 -0.500 0.000 1.142 261 R CA 2.433 58.393 56.100 -0.234 0.000 0.960 261 R CB -0.383 29.824 30.300 -0.155 0.000 0.858 261 R HN 0.873 nan 8.270 nan 0.000 0.439 262 G N -1.098 107.358 108.800 -0.573 0.000 2.945 262 G HA2 0.367 4.327 3.960 -0.000 0.000 0.156 262 G HA3 0.367 4.327 3.960 -0.000 0.000 0.156 262 G C -0.578 173.800 174.900 -0.871 0.000 1.375 262 G CA -0.255 44.165 45.100 -1.133 0.000 1.039 262 G HN 0.390 nan 8.290 nan 0.000 0.586 263 G N -0.365 108.166 108.800 -0.449 0.000 2.272 263 G HA2 0.458 4.418 3.960 -0.000 0.000 0.247 263 G HA3 0.458 4.418 3.960 -0.000 0.000 0.247 263 G C 0.499 175.349 174.900 -0.083 0.000 1.272 263 G CA 0.634 45.687 45.100 -0.079 0.000 0.921 263 G HN 0.740 nan 8.290 nan 0.000 0.495 264 G N 1.840 110.619 108.800 -0.036 0.000 2.849 264 G HA2 0.621 4.581 3.960 -0.000 0.000 0.174 264 G HA3 0.621 4.581 3.960 -0.000 0.000 0.174 264 G C -0.008 174.899 174.900 0.011 0.000 1.370 264 G CA -0.763 44.331 45.100 -0.010 0.000 1.040 264 G HN 0.751 nan 8.290 nan 0.000 0.582 265 N N -0.744 117.970 118.700 0.023 0.000 3.102 265 N HA 0.431 5.171 4.740 -0.000 0.000 0.299 265 N C -1.841 173.678 175.510 0.016 0.000 1.482 265 N CA -0.567 52.493 53.050 0.018 0.000 0.785 265 N CB 1.632 40.129 38.487 0.016 0.000 1.680 265 N HN 0.306 nan 8.380 nan 0.000 0.594 266 D N -0.264 120.141 120.400 0.009 0.000 2.423 266 D HA 0.510 5.150 4.640 -0.000 0.000 0.235 266 D C -0.455 175.844 176.300 -0.001 0.000 1.011 266 D CA -0.527 53.478 54.000 0.008 0.000 0.963 266 D CB 1.998 42.803 40.800 0.008 0.000 1.349 266 D HN 0.346 nan 8.370 nan 0.000 0.508 267 I N 3.152 123.724 120.570 0.005 0.000 2.421 267 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 267 I C -1.730 174.372 176.117 -0.025 0.000 1.089 267 I CA -1.296 59.989 61.300 -0.025 0.000 1.354 267 I CB 0.381 38.373 38.000 -0.013 0.000 1.413 267 I HN 0.074 nan 8.210 nan 0.000 0.513 268 P HA 0.089 nan 4.420 nan 0.000 0.265 268 P C -0.628 176.638 177.300 -0.056 0.000 1.193 268 P CA -0.090 62.983 63.100 -0.045 0.000 0.765 268 P CB 0.591 32.259 31.700 -0.053 0.000 0.823 269 R N 2.279 122.759 120.500 -0.034 0.000 2.720 269 R HA 0.318 4.658 4.340 -0.000 0.000 0.272 269 R C 1.174 177.453 176.300 -0.035 0.000 0.991 269 R CA -0.807 55.275 56.100 -0.029 0.000 1.010 269 R CB 1.321 31.618 30.300 -0.005 0.000 1.141 269 R HN 0.424 nan 8.270 nan 0.000 0.494 270 R N 0.356 120.836 120.500 -0.032 0.000 2.075 270 R HA 0.078 4.418 4.340 -0.000 0.000 0.220 270 R C 0.219 176.512 176.300 -0.011 0.000 1.118 270 R CA 1.328 57.412 56.100 -0.026 0.000 0.986 270 R CB 0.032 30.314 30.300 -0.029 0.000 0.884 270 R HN 0.610 nan 8.270 nan 0.000 0.439 271 D N -1.495 118.905 120.400 0.001 0.000 2.326 271 D HA 0.301 4.940 4.640 -0.000 0.000 0.248 271 D C 0.021 176.322 176.300 0.002 0.000 1.001 271 D CA 0.251 54.257 54.000 0.010 0.000 0.961 271 D CB 2.146 42.966 40.800 0.034 0.000 1.183 271 D HN 0.238 nan 8.370 nan 0.000 0.502 272 A N 1.346 124.165 122.820 -0.001 0.000 2.021 272 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 272 A C 0.763 178.330 177.584 -0.028 0.000 1.163 272 A CA 0.707 52.733 52.037 -0.019 0.000 0.676 272 A CB 0.094 19.082 19.000 -0.019 0.000 0.818 272 A HN 0.490 nan 8.150 nan 0.000 0.453 273 D N -0.515 119.889 120.400 0.007 0.000 2.232 273 D HA 0.272 4.912 4.640 -0.000 0.000 0.242 273 D C -0.147 176.190 176.300 0.062 0.000 1.093 273 D CA -0.413 53.605 54.000 0.030 0.000 0.845 273 D CB 0.999 41.847 40.800 0.080 0.000 1.124 273 D HN 0.011 nan 8.370 nan 0.000 0.467 274 D N 2.270 122.682 120.400 0.020 0.000 2.317 274 D HA -0.135 4.505 4.640 -0.000 0.000 0.211 274 D C 1.308 177.728 176.300 0.201 0.000 0.966 274 D CA 0.413 54.461 54.000 0.080 0.000 0.876 274 D CB 0.034 40.796 40.800 -0.063 0.000 0.927 274 D HN 0.541 nan 8.370 nan 0.000 0.519 275 Y N 1.458 121.815 120.300 0.094 0.000 2.145 275 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 275 Y C 2.313 178.386 175.900 0.289 0.000 1.145 275 Y CA 1.783 60.009 58.100 0.210 0.000 1.148 275 Y CB -0.440 38.141 38.460 0.201 0.000 0.981 275 Y HN -0.145 nan 8.280 nan 0.000 0.507 276 T N 0.926 115.749 114.554 0.448 0.000 2.737 276 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 276 T C 1.674 176.496 174.700 0.203 0.000 1.038 276 T CA 1.435 63.721 62.100 0.310 0.000 1.144 276 T CB -0.301 68.693 68.868 0.211 0.000 0.866 276 T HN 0.393 nan 8.240 nan 0.000 0.434 277 N N 0.846 119.640 118.700 0.157 0.000 2.025 277 N HA -0.053 4.687 4.740 -0.000 0.000 0.194 277 N C 1.650 177.215 175.510 0.091 0.000 1.044 277 N CA 1.355 54.455 53.050 0.082 0.000 0.851 277 N CB -0.662 37.831 38.487 0.010 0.000 1.036 277 N HN 0.369 nan 8.380 nan 0.000 0.422 278 F N 0.647 120.659 119.950 0.103 0.000 2.293 278 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 278 F C 2.163 178.126 175.800 0.270 0.000 1.086 278 F CA 0.247 58.305 58.000 0.097 0.000 1.375 278 F CB -0.124 38.751 39.000 -0.209 0.000 1.045 278 F HN 0.008 nan 8.300 nan 0.000 0.516 279 L N 0.305 121.791 121.223 0.438 0.000 2.072 279 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 279 L C 2.218 179.135 176.870 0.078 0.000 1.079 279 L CA 1.797 56.749 54.840 0.187 0.000 0.752 279 L CB -0.720 41.353 42.059 0.024 0.000 0.906 279 L HN -0.108 nan 8.230 nan 0.000 0.436 280 K N -0.655 119.807 120.400 0.104 0.000 2.283 280 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 280 K C 1.840 178.481 176.600 0.068 0.000 1.048 280 K CA 0.985 57.309 56.287 0.062 0.000 0.948 280 K CB 0.023 32.559 32.500 0.061 0.000 0.742 280 K HN 0.461 nan 8.250 nan 0.000 0.458 281 A N 0.078 122.971 122.820 0.123 0.000 1.930 281 A HA 0.117 4.437 4.320 -0.000 0.000 0.215 281 A C 1.518 179.191 177.584 0.148 0.000 1.176 281 A CA 1.855 53.977 52.037 0.142 0.000 0.632 281 A CB -0.224 18.923 19.000 0.244 0.000 0.819 281 A HN 0.435 nan 8.150 nan 0.000 0.445 282 G N -1.043 107.841 108.800 0.141 0.000 4.492 282 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.265 282 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.265 282 G C 0.705 175.736 174.900 0.219 0.000 1.702 282 G CA 0.744 45.889 45.100 0.076 0.000 1.266 282 G HN 1.790 nan 8.290 nan 0.000 0.643 283 S N 1.153 117.063 115.700 0.350 0.000 2.690 283 S HA 0.804 5.274 4.470 -0.000 0.000 0.291 283 S C 1.502 176.397 174.600 0.492 0.000 1.138 283 S CA 0.524 58.999 58.200 0.458 0.000 1.013 283 S CB 1.841 65.293 63.200 0.421 0.000 1.053 283 S HN 2.067 nan 8.310 nan 0.000 0.539 284 A N 1.918 125.089 122.820 0.585 0.000 1.902 284 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 284 A C 2.121 180.024 177.584 0.532 0.000 1.181 284 A CA 1.795 54.264 52.037 0.720 0.000 0.623 284 A CB -1.775 17.724 19.000 0.832 0.000 0.818 284 A HN 1.201 nan 8.150 nan 0.000 0.443 285 G N -1.112 107.996 108.800 0.514 0.000 2.422 285 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 285 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 285 G C 1.895 176.928 174.900 0.221 0.000 1.146 285 G CA 1.420 46.782 45.100 0.437 0.000 0.769 285 G HN 0.546 nan 8.290 nan 0.000 0.547 286 S N -0.241 115.599 115.700 0.234 0.000 2.356 286 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 286 S C 2.053 176.678 174.600 0.042 0.000 1.032 286 S CA 1.426 59.709 58.200 0.138 0.000 1.005 286 S CB -0.432 62.872 63.200 0.172 0.000 0.867 286 S HN 0.385 nan 8.310 nan 0.000 0.449 287 F N 2.235 122.148 119.950 -0.063 0.000 2.126 287 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 287 F C 2.280 177.805 175.800 -0.459 0.000 1.096 287 F CA 1.414 59.285 58.000 -0.215 0.000 1.255 287 F CB -0.770 38.161 39.000 -0.114 0.000 0.997 287 F HN 0.280 nan 8.300 nan 0.000 0.479 288 A N -0.367 122.112 122.820 -0.568 0.000 1.883 288 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 288 A C 2.188 179.470 177.584 -0.503 0.000 1.186 288 A CA 2.396 53.833 52.037 -1.001 0.000 0.624 288 A CB -1.484 16.623 19.000 -1.488 0.000 0.822 288 A HN 0.452 nan 8.150 nan 0.000 0.444 289 T N -0.277 114.128 114.554 -0.249 0.000 2.652 289 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 289 T C 2.108 176.696 174.700 -0.187 0.000 1.039 289 T CA 1.844 63.868 62.100 -0.126 0.000 1.153 289 T CB -0.282 68.562 68.868 -0.039 0.000 0.863 289 T HN 0.607 nan 8.240 nan 0.000 0.428 290 Q N 0.279 119.925 119.800 -0.256 0.000 2.124 290 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 290 Q C 2.482 178.274 176.000 -0.348 0.000 0.977 290 Q CA 1.318 56.953 55.803 -0.280 0.000 0.850 290 Q CB -0.252 28.295 28.738 -0.318 0.000 0.901 290 Q HN 0.545 nan 8.270 nan 0.000 0.429 291 A N -0.076 122.438 122.820 -0.510 0.000 2.172 291 A HA 0.136 4.456 4.320 -0.000 0.000 0.216 291 A C 1.350 178.789 177.584 -0.242 0.000 1.154 291 A CA 0.913 52.673 52.037 -0.462 0.000 0.701 291 A CB -0.538 18.096 19.000 -0.611 0.000 0.789 291 A HN 0.477 nan 8.150 nan 0.000 0.465 292 G N -1.500 107.192 108.800 -0.180 0.000 2.248 292 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.263 292 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.263 292 G C 0.343 175.287 174.900 0.073 0.000 1.082 292 G CA 0.350 45.427 45.100 -0.039 0.000 0.863 292 G HN 0.478 nan 8.290 nan 0.000 0.495 293 L N -0.695 120.516 121.223 -0.019 0.000 2.640 293 L HA 0.231 4.571 4.340 -0.000 0.000 0.230 293 L C 1.890 178.984 176.870 0.373 0.000 1.123 293 L CA 0.122 55.004 54.840 0.069 0.000 0.900 293 L CB 0.197 42.049 42.059 -0.345 0.000 1.146 293 L HN 0.111 nan 8.230 nan 0.000 0.484 294 D N 0.503 121.059 120.400 0.260 0.000 2.309 294 D HA -0.192 4.448 4.640 -0.000 0.000 0.212 294 D C 1.790 178.190 176.300 0.166 0.000 0.968 294 D CA 0.897 55.037 54.000 0.233 0.000 0.882 294 D CB 0.161 41.008 40.800 0.079 0.000 0.918 294 D HN 0.549 nan 8.370 nan 0.000 0.503 295 Q N -0.719 119.194 119.800 0.188 0.000 2.280 295 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 295 Q C -0.412 175.587 176.000 -0.002 0.000 0.903 295 Q CA -0.054 55.780 55.803 0.052 0.000 0.948 295 Q CB -0.121 28.601 28.738 -0.027 0.000 1.058 295 Q HN 0.235 nan 8.270 nan 0.000 0.493 296 Y N 1.251 121.605 120.300 0.089 0.000 2.434 296 Y HA 0.267 4.817 4.550 -0.000 0.000 0.341 296 Y C -1.639 174.303 175.900 0.070 0.000 0.965 296 Y CA -2.603 55.554 58.100 0.096 0.000 1.205 296 Y CB 1.491 40.037 38.460 0.143 0.000 1.121 296 Y HN 0.055 nan 8.280 nan 0.000 0.507 297 P HA -0.326 nan 4.420 nan 0.000 0.219 297 P C 1.673 179.000 177.300 0.046 0.000 1.161 297 P CA 1.690 64.817 63.100 0.046 0.000 0.909 297 P CB 0.022 31.746 31.700 0.040 0.000 0.793 298 F N -1.133 118.789 119.950 -0.046 0.000 2.126 298 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 298 F C 2.348 178.061 175.800 -0.145 0.000 1.096 298 F CA 1.320 59.241 58.000 -0.131 0.000 1.255 298 F CB -0.916 37.948 39.000 -0.226 0.000 0.997 298 F HN 0.035 nan 8.300 nan 0.000 0.479 299 W N 1.190 122.286 121.300 -0.340 0.000 2.381 299 W HA -0.223 4.437 4.660 -0.000 0.000 0.301 299 W C 2.067 178.454 176.519 -0.219 0.000 1.205 299 W CA 1.432 58.592 57.345 -0.308 0.000 1.285 299 W CB -0.467 28.964 29.460 -0.049 0.000 1.133 299 W HN 0.147 nan 8.180 nan 0.000 0.521 300 Q N 0.226 119.815 119.800 -0.353 0.000 2.096 300 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 300 Q C 2.388 178.096 176.000 -0.487 0.000 0.982 300 Q CA 2.182 57.703 55.803 -0.470 0.000 0.850 300 Q CB -0.269 28.322 28.738 -0.246 0.000 0.901 300 Q HN 0.308 nan 8.270 nan 0.000 0.422 301 R N -0.035 120.186 120.500 -0.465 0.000 2.066 301 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 301 R C 2.333 178.285 176.300 -0.580 0.000 1.131 301 R CA 1.441 57.200 56.100 -0.569 0.000 0.955 301 R CB -0.389 29.502 30.300 -0.682 0.000 0.851 301 R HN 0.353 nan 8.270 nan 0.000 0.432 302 M N 0.375 119.625 119.600 -0.583 0.000 2.065 302 M HA -0.228 4.252 4.480 -0.000 0.000 0.259 302 M C 2.469 178.730 176.300 -0.065 0.000 1.069 302 M CA 1.830 57.051 55.300 -0.132 0.000 1.110 302 M CB -0.437 32.152 32.600 -0.018 0.000 1.328 302 M HN 0.198 nan 8.290 nan 0.000 0.405 303 H N 0.288 118.856 119.070 -0.837 0.000 2.353 303 H HA -0.125 4.431 4.556 -0.000 0.000 0.298 303 H C 1.635 176.794 175.328 -0.282 0.000 1.103 303 H CA 2.062 57.581 56.048 -0.883 0.000 1.293 303 H CB -0.137 28.717 29.762 -1.514 0.000 1.372 303 H HN 0.565 nan 8.280 nan 0.000 0.501 304 A N 0.367 123.032 122.820 -0.260 0.000 2.209 304 A HA -0.072 4.248 4.320 -0.000 0.000 0.212 304 A C 0.466 177.723 177.584 -0.545 0.000 1.158 304 A CA 0.549 52.365 52.037 -0.369 0.000 0.742 304 A CB -0.184 18.523 19.000 -0.488 0.000 0.790 304 A HN 0.528 nan 8.150 nan 0.000 0.472 305 H N -0.858 118.198 119.070 -0.023 0.000 2.439 305 H HA 0.167 4.723 4.556 -0.000 0.000 0.230 305 H C -2.061 173.540 175.328 0.455 0.000 1.420 305 H CA -1.294 54.844 56.048 0.150 0.000 1.305 305 H CB 0.537 30.298 29.762 -0.002 0.000 1.667 305 H HN 0.340 nan 8.280 nan 0.000 0.515 306 P HA -0.063 nan 4.420 nan 0.000 0.220 306 P C 0.752 178.232 177.300 0.301 0.000 1.148 306 P CA 0.680 63.921 63.100 0.235 0.000 0.803 306 P CB 0.696 32.394 31.700 -0.004 0.000 0.782 307 A N -0.944 122.091 122.820 0.358 0.000 2.288 307 A HA 0.353 4.673 4.320 -0.000 0.000 0.328 307 A C -0.469 176.998 177.584 -0.194 0.000 1.123 307 A CA -0.576 51.639 52.037 0.296 0.000 0.861 307 A CB -0.023 19.230 19.000 0.421 0.000 1.272 307 A HN -0.050 nan 8.150 nan 0.000 0.490 308 Y N 2.412 122.028 120.300 -1.141 0.000 2.937 308 Y HA 0.101 4.651 4.550 -0.000 0.000 0.364 308 Y C 0.409 176.071 175.900 -0.396 0.000 1.164 308 Y CA -1.000 56.294 58.100 -1.344 0.000 2.025 308 Y CB -1.570 35.940 38.460 -1.584 0.000 2.155 308 Y HN 0.820 nan 8.280 nan 0.000 0.409 309 D N -0.339 120.086 120.400 0.043 0.000 2.342 309 D HA 0.274 4.914 4.640 -0.000 0.000 0.284 309 D C 1.581 177.866 176.300 -0.025 0.000 1.198 309 D CA 0.212 54.233 54.000 0.034 0.000 1.061 309 D CB -0.014 40.876 40.800 0.150 0.000 1.130 309 D HN 0.080 nan 8.370 nan 0.000 0.541 310 A N -1.155 121.654 122.820 -0.018 0.000 1.930 310 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 310 A C 2.035 179.561 177.584 -0.098 0.000 1.175 310 A CA 1.164 53.167 52.037 -0.057 0.000 0.627 310 A CB -1.289 17.694 19.000 -0.028 0.000 0.815 310 A HN 0.530 nan 8.150 nan 0.000 0.443 311 F N -0.741 118.975 119.950 -0.391 0.000 2.154 311 F HA -0.219 4.308 4.527 -0.000 0.000 0.301 311 F C 1.846 177.373 175.800 -0.454 0.000 1.087 311 F CA 1.818 59.435 58.000 -0.637 0.000 1.274 311 F CB -0.339 37.807 39.000 -1.423 0.000 1.009 311 F HN 0.427 nan 8.300 nan 0.000 0.485 312 W N 0.075 121.340 121.300 -0.059 0.000 2.525 312 W HA 0.014 4.674 4.660 -0.000 0.000 0.288 312 W C 2.548 179.114 176.519 0.079 0.000 1.200 312 W CA 0.562 57.930 57.345 0.039 0.000 1.349 312 W CB -0.761 28.823 29.460 0.207 0.000 1.102 312 W HN -0.092 nan 8.180 nan 0.000 0.558 313 Q N -0.050 119.844 119.800 0.157 0.000 2.181 313 Q HA -0.130 4.210 4.340 -0.000 0.000 0.205 313 Q C 2.282 178.291 176.000 0.016 0.000 0.980 313 Q CA 1.477 57.264 55.803 -0.027 0.000 0.862 313 Q CB -0.679 27.914 28.738 -0.241 0.000 0.905 313 Q HN 0.379 nan 8.270 nan 0.000 0.429 314 G N -0.381 108.399 108.800 -0.033 0.000 2.848 314 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.208 314 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.208 314 G C 0.897 175.792 174.900 -0.009 0.000 1.152 314 G CA 0.026 45.102 45.100 -0.040 0.000 0.789 314 G HN 0.270 nan 8.290 nan 0.000 0.531 315 Q N -0.811 119.017 119.800 0.048 0.000 2.245 315 Q HA 0.307 4.647 4.340 -0.000 0.000 0.236 315 Q C 1.116 177.255 176.000 0.232 0.000 0.842 315 Q CA -0.242 55.636 55.803 0.126 0.000 0.945 315 Q CB 1.019 29.817 28.738 0.101 0.000 1.122 315 Q HN 0.316 nan 8.270 nan 0.000 0.506 316 A N 1.745 124.707 122.820 0.237 0.000 2.785 316 A HA 0.103 4.423 4.320 -0.000 0.000 0.294 316 A C 1.129 178.845 177.584 0.220 0.000 1.597 316 A CA 0.027 52.219 52.037 0.258 0.000 1.283 316 A CB -0.557 18.619 19.000 0.292 0.000 1.088 316 A HN 0.367 nan 8.150 nan 0.000 0.568 317 L N 0.965 122.330 121.223 0.236 0.000 2.089 317 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 317 L C 2.374 179.352 176.870 0.180 0.000 1.079 317 L CA 1.738 56.703 54.840 0.209 0.000 0.758 317 L CB -0.774 41.429 42.059 0.239 0.000 0.891 317 L HN 0.780 nan 8.230 nan 0.000 0.433 318 D N 0.697 121.210 120.400 0.188 0.000 2.092 318 D HA -0.244 4.396 4.640 -0.000 0.000 0.193 318 D C 1.890 178.261 176.300 0.118 0.000 0.994 318 D CA 1.563 55.642 54.000 0.133 0.000 0.828 318 D CB -0.425 40.476 40.800 0.168 0.000 0.963 318 D HN 0.279 nan 8.370 nan 0.000 0.450 319 K N 0.022 120.509 120.400 0.145 0.000 2.097 319 K HA 0.008 4.328 4.320 -0.000 0.000 0.206 319 K C 2.474 179.130 176.600 0.094 0.000 1.049 319 K CA 0.921 57.277 56.287 0.115 0.000 0.933 319 K CB -0.107 32.466 32.500 0.122 0.000 0.717 319 K HN 0.224 nan 8.250 nan 0.000 0.442 320 I N 0.635 121.268 120.570 0.105 0.000 2.202 320 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 320 I C 2.288 178.463 176.117 0.096 0.000 1.091 320 I CA 0.800 62.156 61.300 0.093 0.000 1.368 320 I CB -0.203 37.857 38.000 0.100 0.000 1.058 320 I HN 0.088 nan 8.210 nan 0.000 0.410 321 L N 1.054 122.347 121.223 0.115 0.000 2.131 321 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 321 L C 2.514 179.447 176.870 0.106 0.000 1.092 321 L CA 1.833 56.751 54.840 0.129 0.000 0.759 321 L CB -0.429 41.738 42.059 0.180 0.000 0.903 321 L HN 0.201 nan 8.230 nan 0.000 0.435 322 A N -1.324 121.545 122.820 0.080 0.000 2.067 322 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 322 A C 2.164 179.780 177.584 0.053 0.000 1.158 322 A CA 1.483 53.553 52.037 0.055 0.000 0.661 322 A CB -0.404 18.615 19.000 0.032 0.000 0.801 322 A HN 0.633 nan 8.150 nan 0.000 0.452 323 Q N -1.228 118.607 119.800 0.058 0.000 2.245 323 Q HA -0.041 4.299 4.340 -0.000 0.000 0.201 323 Q C 2.120 178.152 176.000 0.054 0.000 0.955 323 Q CA 0.736 56.569 55.803 0.051 0.000 0.870 323 Q CB -0.002 28.766 28.738 0.049 0.000 0.945 323 Q HN 0.306 nan 8.270 nan 0.000 0.461 324 R N 1.257 121.797 120.500 0.067 0.000 2.148 324 R HA -0.000 4.340 4.340 -0.000 0.000 0.223 324 R C -0.189 176.152 176.300 0.068 0.000 1.088 324 R CA 0.578 56.721 56.100 0.071 0.000 0.985 324 R CB -0.150 30.202 30.300 0.087 0.000 0.880 324 R HN 0.100 nan 8.270 nan 0.000 0.451 325 K N 0.552 120.993 120.400 0.068 0.000 3.974 325 K HA -0.144 4.176 4.320 -0.000 0.000 0.280 325 K C -2.278 174.365 176.600 0.072 0.000 0.949 325 K CA 0.477 56.802 56.287 0.064 0.000 0.817 325 K CB -1.162 31.367 32.500 0.049 0.000 1.535 325 K HN 0.282 nan 8.250 nan 0.000 0.444 326 P HA 0.155 nan 4.420 nan 0.000 0.277 326 P C 0.231 177.578 177.300 0.078 0.000 1.271 326 P CA -0.252 62.901 63.100 0.089 0.000 0.795 326 P CB 0.913 32.681 31.700 0.113 0.000 1.101 327 T N -4.344 110.248 114.554 0.063 0.000 3.058 327 T HA 0.181 4.531 4.350 -0.000 0.000 0.278 327 T C 0.454 175.165 174.700 0.018 0.000 0.974 327 T CA -0.205 61.924 62.100 0.048 0.000 0.893 327 T CB -0.366 68.527 68.868 0.042 0.000 1.138 327 T HN 0.102 nan 8.240 nan 0.000 0.529 328 V N 3.743 123.663 119.914 0.009 0.000 2.508 328 V HA 0.289 4.409 4.120 -0.000 0.000 0.281 328 V C -2.353 173.703 176.094 -0.063 0.000 1.041 328 V CA -2.081 60.185 62.300 -0.057 0.000 1.016 328 V CB 0.417 32.209 31.823 -0.051 0.000 0.984 328 V HN 0.156 nan 8.190 nan 0.000 0.478 329 P HA 0.104 nan 4.420 nan 0.000 0.261 329 P C -0.429 176.928 177.300 0.095 0.000 1.183 329 P CA 0.625 63.666 63.100 -0.097 0.000 0.761 329 P CB 0.266 31.588 31.700 -0.629 0.000 0.785 330 M N 3.111 122.830 119.600 0.198 0.000 2.528 330 M HA 0.444 4.924 4.480 -0.000 0.000 0.321 330 M C -0.296 175.999 176.300 -0.010 0.000 1.153 330 M CA -0.502 54.820 55.300 0.036 0.000 0.951 330 M CB 1.982 34.526 32.600 -0.093 0.000 1.705 330 M HN 0.137 nan 8.290 nan 0.000 0.451 331 L N 2.507 123.607 121.223 -0.204 0.000 2.454 331 L HA 0.397 4.737 4.340 -0.000 0.000 0.258 331 L C -1.825 174.892 176.870 -0.256 0.000 1.025 331 L CA -0.277 54.408 54.840 -0.258 0.000 0.901 331 L CB 0.776 42.633 42.059 -0.337 0.000 1.210 331 L HN 0.771 nan 8.230 nan 0.000 0.457 332 W N 3.469 124.751 121.300 -0.029 0.000 2.287 332 W HA 0.366 5.026 4.660 -0.000 0.000 0.313 332 W C 0.608 177.035 176.519 -0.154 0.000 1.267 332 W CA -0.022 57.302 57.345 -0.035 0.000 1.201 332 W CB 0.818 30.312 29.460 0.057 0.000 1.196 332 W HN 0.315 nan 8.180 nan 0.000 0.536 333 E N 3.323 123.577 120.200 0.090 0.000 2.317 333 E HA 0.403 4.753 4.350 -0.000 0.000 0.270 333 E C -1.222 175.413 176.600 0.060 0.000 0.885 333 E CA -0.754 55.629 56.400 -0.030 0.000 0.760 333 E CB 2.262 31.875 29.700 -0.145 0.000 1.227 333 E HN 0.673 nan 8.360 nan 0.000 0.434 334 Q N 0.923 120.747 119.800 0.040 0.000 2.594 334 Q HA 0.582 4.922 4.340 -0.000 0.000 0.278 334 Q C -0.763 175.276 176.000 0.065 0.000 0.961 334 Q CA -1.076 54.780 55.803 0.089 0.000 0.844 334 Q CB 0.610 29.395 28.738 0.078 0.000 1.475 334 Q HN 0.481 nan 8.270 nan 0.000 0.389 335 G N 1.171 110.050 108.800 0.132 0.000 2.467 335 G HA2 0.330 4.290 3.960 -0.000 0.000 0.257 335 G HA3 0.330 4.290 3.960 -0.000 0.000 0.257 335 G C 0.344 175.173 174.900 -0.118 0.000 1.227 335 G CA -0.762 44.383 45.100 0.075 0.000 0.835 335 G HN 0.658 nan 8.290 nan 0.000 0.556 336 L N 0.571 121.600 121.223 -0.324 0.000 2.083 336 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 336 L C 1.268 177.847 176.870 -0.485 0.000 1.083 336 L CA 0.876 55.401 54.840 -0.525 0.000 0.752 336 L CB 0.004 41.542 42.059 -0.868 0.000 0.899 336 L HN 0.566 nan 8.230 nan 0.000 0.433 337 W N 0.411 121.623 121.300 -0.147 0.000 2.637 337 W HA 0.158 4.818 4.660 -0.000 0.000 0.420 337 W C 0.145 176.594 176.519 -0.117 0.000 0.766 337 W CA -0.845 56.412 57.345 -0.146 0.000 2.499 337 W CB -0.165 29.202 29.460 -0.154 0.000 1.395 337 W HN 0.010 nan 8.180 nan 0.000 0.802 338 D N 2.473 122.928 120.400 0.093 0.000 2.348 338 D HA -0.065 4.574 4.640 -0.000 0.000 0.259 338 D C 1.633 177.975 176.300 0.069 0.000 1.296 338 D CA 0.505 54.584 54.000 0.132 0.000 0.931 338 D CB 1.008 41.907 40.800 0.166 0.000 1.067 338 D HN 0.189 nan 8.370 nan 0.000 0.503 339 Q N 2.818 122.609 119.800 -0.015 0.000 2.472 339 Q HA -0.080 4.260 4.340 -0.000 0.000 0.208 339 Q C 0.234 176.239 176.000 0.008 0.000 0.958 339 Q CA 0.995 56.717 55.803 -0.135 0.000 0.932 339 Q CB 0.208 28.651 28.738 -0.492 0.000 1.007 339 Q HN 0.607 nan 8.270 nan 0.000 0.508 340 E N -0.137 120.045 120.200 -0.030 0.000 2.421 340 E HA 0.117 4.467 4.350 -0.000 0.000 0.209 340 E C -0.302 176.199 176.600 -0.165 0.000 0.871 340 E CA 0.091 56.368 56.400 -0.206 0.000 1.064 340 E CB 0.770 30.025 29.700 -0.741 0.000 1.075 340 E HN 0.206 nan 8.360 nan 0.000 0.513 341 D N 0.507 120.919 120.400 0.020 0.000 2.968 341 D HA 0.103 4.743 4.640 -0.000 0.000 0.301 341 D C 0.255 176.667 176.300 0.186 0.000 1.226 341 D CA -0.017 54.057 54.000 0.122 0.000 0.746 341 D CB 0.937 41.858 40.800 0.202 0.000 1.278 341 D HN -0.002 nan 8.370 nan 0.000 0.544 342 M N -0.072 119.634 119.600 0.176 0.000 2.319 342 M HA 0.025 4.505 4.480 -0.000 0.000 0.265 342 M C 1.505 177.915 176.300 0.183 0.000 1.068 342 M CA 1.271 56.663 55.300 0.153 0.000 1.118 342 M CB 0.216 32.906 32.600 0.150 0.000 1.395 342 M HN 0.387 nan 8.290 nan 0.000 0.435 343 W N 0.101 121.400 121.300 -0.001 0.000 2.476 343 W HA 0.063 4.723 4.660 -0.000 0.000 0.319 343 W C 1.824 178.449 176.519 0.177 0.000 1.132 343 W CA 1.694 59.067 57.345 0.048 0.000 1.325 343 W CB -1.218 28.119 29.460 -0.205 0.000 1.215 343 W HN 0.292 nan 8.180 nan 0.000 0.460 344 G N 1.418 110.467 108.800 0.415 0.000 3.889 344 G HA2 -0.490 3.470 3.960 -0.000 0.000 0.260 344 G HA3 -0.490 3.470 3.960 -0.000 0.000 0.260 344 G C 1.510 176.509 174.900 0.165 0.000 0.899 344 G CA 3.139 48.420 45.100 0.303 0.000 0.756 344 G HN 0.650 nan 8.290 nan 0.000 1.407 345 A N 0.312 123.249 122.820 0.195 0.000 1.883 345 A HA -0.269 4.051 4.320 -0.000 0.000 0.226 345 A C 2.548 180.117 177.584 -0.024 0.000 1.512 345 A CA 3.055 55.198 52.037 0.177 0.000 0.738 345 A CB -0.959 18.166 19.000 0.207 0.000 0.848 345 A HN 1.138 nan 8.150 nan 0.000 0.477 346 I N -1.778 118.767 120.570 -0.042 0.000 2.194 346 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 346 I C 2.338 178.377 176.117 -0.129 0.000 1.093 346 I CA 2.467 63.708 61.300 -0.099 0.000 1.355 346 I CB -0.190 37.700 38.000 -0.184 0.000 1.046 346 I HN 0.571 nan 8.210 nan 0.000 0.413 347 H N 0.051 118.988 119.070 -0.221 0.000 2.428 347 H HA 0.023 4.579 4.556 -0.000 0.000 0.296 347 H C 2.179 177.393 175.328 -0.191 0.000 1.062 347 H CA 1.348 57.240 56.048 -0.260 0.000 1.350 347 H CB -0.129 29.331 29.762 -0.503 0.000 1.403 347 H HN 0.456 nan 8.280 nan 0.000 0.533 348 A N 0.112 122.811 122.820 -0.202 0.000 1.929 348 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 348 A C 2.090 179.286 177.584 -0.646 0.000 1.176 348 A CA 1.197 52.960 52.037 -0.457 0.000 0.628 348 A CB -0.984 17.521 19.000 -0.825 0.000 0.816 348 A HN 0.691 nan 8.150 nan 0.000 0.444 349 W N 0.630 121.354 121.300 -0.960 0.000 2.381 349 W HA -0.185 4.475 4.660 -0.000 0.000 0.301 349 W C 2.134 178.483 176.519 -0.284 0.000 1.205 349 W CA 1.947 58.857 57.345 -0.724 0.000 1.285 349 W CB -0.205 28.955 29.460 -0.499 0.000 1.133 349 W HN 0.375 nan 8.180 nan 0.000 0.521 350 Q N 0.815 120.469 119.800 -0.243 0.000 2.167 350 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 350 Q C 2.249 178.041 176.000 -0.347 0.000 0.970 350 Q CA 2.378 57.909 55.803 -0.454 0.000 0.855 350 Q CB -0.650 28.005 28.738 -0.140 0.000 0.911 350 Q HN 0.298 nan 8.270 nan 0.000 0.438 351 A N 0.028 122.719 122.820 -0.216 0.000 1.933 351 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 351 A C 1.993 179.488 177.584 -0.149 0.000 1.175 351 A CA 1.364 53.326 52.037 -0.124 0.000 0.628 351 A CB -0.642 18.328 19.000 -0.050 0.000 0.814 351 A HN 0.449 nan 8.150 nan 0.000 0.444 352 L N -0.868 120.229 121.223 -0.209 0.000 2.044 352 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 352 L C 2.560 179.302 176.870 -0.212 0.000 1.075 352 L CA 1.809 56.561 54.840 -0.147 0.000 0.747 352 L CB -0.457 41.564 42.059 -0.064 0.000 0.903 352 L HN 0.439 nan 8.230 nan 0.000 0.435 353 K N 0.352 120.498 120.400 -0.424 0.000 2.020 353 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 353 K C 1.774 178.231 176.600 -0.240 0.000 1.050 353 K CA 2.179 58.218 56.287 -0.413 0.000 0.929 353 K CB -0.106 31.947 32.500 -0.745 0.000 0.714 353 K HN 0.182 nan 8.250 nan 0.000 0.443 354 D N -0.044 120.219 120.400 -0.229 0.000 2.149 354 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 354 D C 1.266 177.517 176.300 -0.081 0.000 0.990 354 D CA 1.421 55.343 54.000 -0.131 0.000 0.839 354 D CB -0.160 40.576 40.800 -0.106 0.000 0.948 354 D HN 0.404 nan 8.370 nan 0.000 0.460 355 A N 0.436 123.210 122.820 -0.076 0.000 2.291 355 A HA 0.018 4.338 4.320 -0.000 0.000 0.220 355 A C 0.245 177.814 177.584 -0.026 0.000 1.262 355 A CA 0.206 52.222 52.037 -0.035 0.000 0.867 355 A CB -0.474 18.515 19.000 -0.018 0.000 0.888 355 A HN 0.103 nan 8.150 nan 0.000 0.487 356 D N -0.818 119.557 120.400 -0.041 0.000 2.810 356 D HA -0.154 4.486 4.640 -0.000 0.000 0.224 356 D C 0.023 176.322 176.300 -0.001 0.000 1.222 356 D CA 0.892 54.879 54.000 -0.022 0.000 0.698 356 D CB -1.146 39.648 40.800 -0.010 0.000 0.961 356 D HN 0.423 nan 8.370 nan 0.000 0.403 357 V N 1.426 121.339 119.914 -0.002 0.000 2.740 357 V HA 0.091 4.211 4.120 -0.000 0.000 0.303 357 V C 0.760 176.882 176.094 0.046 0.000 1.054 357 V CA 0.133 62.451 62.300 0.030 0.000 1.106 357 V CB 1.087 32.937 31.823 0.046 0.000 0.957 357 V HN 0.291 nan 8.190 nan 0.000 0.486 358 K N 5.269 125.702 120.400 0.055 0.000 2.363 358 K HA 0.715 5.035 4.320 -0.000 0.000 0.240 358 K C -0.358 176.287 176.600 0.076 0.000 1.169 358 K CA 0.780 57.103 56.287 0.061 0.000 1.131 358 K CB 0.551 33.082 32.500 0.051 0.000 1.771 358 K HN 0.992 nan 8.250 nan 0.000 0.380 359 A N 1.389 124.266 122.820 0.095 0.000 2.571 359 A HA 0.384 4.704 4.320 -0.000 0.000 0.296 359 A C -2.944 174.735 177.584 0.158 0.000 1.005 359 A CA -1.399 50.706 52.037 0.113 0.000 0.682 359 A CB 0.292 19.346 19.000 0.090 0.000 1.292 359 A HN 0.170 nan 8.150 nan 0.000 0.420 360 P HA 0.245 nan 4.420 nan 0.000 0.261 360 P C -0.550 176.922 177.300 0.287 0.000 1.173 360 P CA 0.758 64.025 63.100 0.279 0.000 0.760 360 P CB 0.218 32.154 31.700 0.395 0.000 0.783 361 N N 1.396 120.282 118.700 0.311 0.000 2.722 361 N HA 0.149 4.889 4.740 -0.000 0.000 0.242 361 N C -1.363 174.498 175.510 0.585 0.000 1.398 361 N CA -0.252 53.055 53.050 0.427 0.000 0.755 361 N CB 0.435 39.122 38.487 0.334 0.000 1.268 361 N HN 0.075 nan 8.380 nan 0.000 0.522 362 T N 1.299 116.078 114.554 0.376 0.000 2.875 362 T HA 0.429 4.779 4.350 -0.000 0.000 0.284 362 T C -0.456 174.279 174.700 0.059 0.000 0.995 362 T CA -0.334 61.909 62.100 0.237 0.000 1.060 362 T CB 1.188 70.060 68.868 0.008 0.000 0.967 362 T HN 0.269 nan 8.240 nan 0.000 0.476 363 L N 4.046 125.064 121.223 -0.342 0.000 2.307 363 L HA 0.698 5.038 4.340 -0.000 0.000 0.284 363 L C -1.057 175.529 176.870 -0.474 0.000 1.023 363 L CA -0.451 53.991 54.840 -0.663 0.000 0.810 363 L CB 1.237 42.324 42.059 -1.620 0.000 1.231 363 L HN 0.426 nan 8.230 nan 0.000 0.423 364 V N 6.533 126.229 119.914 -0.365 0.000 2.448 364 V HA 0.554 4.674 4.120 -0.000 0.000 0.295 364 V C -0.265 175.619 176.094 -0.350 0.000 1.025 364 V CA -0.355 61.724 62.300 -0.368 0.000 0.859 364 V CB 1.653 33.201 31.823 -0.459 0.000 0.988 364 V HN 0.843 nan 8.190 nan 0.000 0.431 365 M N 3.980 123.340 119.600 -0.400 0.000 2.090 365 M HA 0.617 5.097 4.480 -0.000 0.000 0.277 365 M C 0.108 175.959 176.300 -0.747 0.000 0.935 365 M CA 0.014 55.019 55.300 -0.492 0.000 0.966 365 M CB 1.820 34.118 32.600 -0.504 0.000 1.635 365 M HN 0.794 nan 8.290 nan 0.000 0.446 366 G N 2.268 110.259 108.800 -1.349 0.000 2.521 366 G HA2 0.716 4.676 3.960 -0.000 0.000 0.323 366 G HA3 0.716 4.676 3.960 -0.000 0.000 0.323 366 G C -2.766 171.001 174.900 -1.888 0.000 1.211 366 G CA -1.358 42.394 45.100 -2.246 0.000 0.979 366 G HN 0.433 nan 8.290 nan 0.000 0.490 367 P HA 0.171 nan 4.420 nan 0.000 0.218 367 P C -0.856 176.071 177.300 -0.622 0.000 1.793 367 P CA -0.094 62.302 63.100 -1.174 0.000 0.941 367 P CB -0.147 30.358 31.700 -1.992 0.000 1.919 368 W N 1.659 122.916 121.300 -0.072 0.000 2.850 368 W HA 0.459 5.119 4.660 -0.000 0.000 0.349 368 W C 0.709 177.296 176.519 0.115 0.000 1.133 368 W CA -0.803 56.568 57.345 0.043 0.000 1.117 368 W CB 0.541 30.006 29.460 0.008 0.000 1.442 368 W HN 0.011 nan 8.180 nan 0.000 0.575 369 R N -0.340 120.372 120.500 0.354 0.000 2.602 369 R HA 0.397 4.737 4.340 -0.000 0.000 0.237 369 R C -0.083 176.372 176.300 0.258 0.000 1.219 369 R CA -0.815 55.423 56.100 0.231 0.000 1.121 369 R CB -0.292 30.083 30.300 0.125 0.000 1.408 369 R HN 0.337 nan 8.270 nan 0.000 0.559 370 H N 0.061 119.206 119.070 0.125 0.000 3.064 370 H HA -0.012 4.544 4.556 -0.000 0.000 0.329 370 H C -0.081 175.361 175.328 0.190 0.000 1.020 370 H CA 1.638 57.778 56.048 0.153 0.000 1.402 370 H CB 0.257 30.106 29.762 0.146 0.000 1.379 370 H HN 0.719 nan 8.280 nan 0.000 0.594 371 S N 1.565 117.038 115.700 -0.378 0.000 3.119 371 S HA -0.289 4.181 4.470 -0.000 0.000 0.298 371 S C 1.909 176.555 174.600 0.077 0.000 1.294 371 S CA 1.050 59.142 58.200 -0.181 0.000 1.091 371 S CB -1.713 61.401 63.200 -0.142 0.000 1.271 371 S HN 1.008 nan 8.310 nan 0.000 0.693 372 G N 0.270 109.146 108.800 0.127 0.000 2.501 372 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 372 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 372 G C 1.147 175.933 174.900 -0.190 0.000 1.114 372 G CA 0.891 46.084 45.100 0.156 0.000 0.757 372 G HN 0.633 nan 8.290 nan 0.000 0.559 373 V N 0.940 120.609 119.914 -0.408 0.000 2.626 373 V HA -0.040 4.080 4.120 -0.000 0.000 0.252 373 V C 1.447 177.267 176.094 -0.456 0.000 1.067 373 V CA 1.367 63.161 62.300 -0.843 0.000 1.081 373 V CB -0.267 31.165 31.823 -0.652 0.000 0.686 373 V HN 0.348 nan 8.190 nan 0.000 0.468 374 N N -0.793 117.689 118.700 -0.364 0.000 2.295 374 N HA 0.173 4.913 4.740 -0.000 0.000 0.221 374 N C -0.571 174.448 175.510 -0.818 0.000 1.129 374 N CA 0.197 52.946 53.050 -0.501 0.000 0.836 374 N CB 0.360 38.533 38.487 -0.522 0.000 1.040 374 N HN 0.586 nan 8.380 nan 0.000 0.494 375 Y N -0.715 119.521 120.300 -0.107 0.000 3.286 375 Y HA 0.265 4.815 4.550 -0.000 0.000 0.270 375 Y C 0.358 176.224 175.900 -0.055 0.000 2.084 375 Y CA -1.103 56.963 58.100 -0.057 0.000 1.003 375 Y CB 0.472 38.911 38.460 -0.034 0.000 1.695 375 Y HN -0.210 nan 8.280 nan 0.000 0.495 376 N N 0.606 119.418 118.700 0.187 0.000 2.422 376 N HA 0.221 4.961 4.740 -0.000 0.000 0.266 376 N C -0.228 175.369 175.510 0.146 0.000 1.007 376 N CA 0.129 53.253 53.050 0.122 0.000 0.941 376 N CB 1.399 39.947 38.487 0.101 0.000 1.115 376 N HN 0.882 nan 8.380 nan 0.000 0.492 377 G N 1.741 110.647 108.800 0.178 0.000 3.814 377 G HA2 0.030 3.990 3.960 -0.000 0.000 0.293 377 G HA3 0.030 3.990 3.960 -0.000 0.000 0.293 377 G C 0.843 175.975 174.900 0.387 0.000 1.243 377 G CA -0.227 45.084 45.100 0.352 0.000 1.053 377 G HN 0.497 nan 8.290 nan 0.000 0.562 378 S N -0.279 115.583 115.700 0.269 0.000 2.446 378 S HA 0.103 4.573 4.470 -0.000 0.000 0.225 378 S C 1.379 176.078 174.600 0.165 0.000 1.016 378 S CA 1.068 59.399 58.200 0.219 0.000 0.943 378 S CB 0.226 63.496 63.200 0.117 0.000 0.786 378 S HN 0.714 nan 8.310 nan 0.000 0.508 379 T N -0.762 113.871 114.554 0.132 0.000 2.868 379 T HA 0.647 4.997 4.350 -0.000 0.000 0.306 379 T C -1.879 172.827 174.700 0.011 0.000 1.224 379 T CA -0.761 61.264 62.100 -0.126 0.000 1.012 379 T CB 1.698 70.470 68.868 -0.160 0.000 1.221 379 T HN -0.068 nan 8.240 nan 0.000 0.499 380 L N 2.416 123.536 121.223 -0.171 0.000 2.504 380 L HA 0.686 5.026 4.340 -0.000 0.000 0.265 380 L C 0.698 177.416 176.870 -0.253 0.000 0.975 380 L CA 1.479 56.270 54.840 -0.083 0.000 0.864 380 L CB 0.676 42.778 42.059 0.072 0.000 1.212 380 L HN 1.582 nan 8.230 nan 0.000 0.416 381 G N 5.830 114.518 108.800 -0.186 0.000 2.550 381 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.277 381 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.277 381 G C -1.721 173.045 174.900 -0.225 0.000 1.190 381 G CA 0.134 45.121 45.100 -0.188 0.000 0.971 381 G HN 0.562 nan 8.290 nan 0.000 0.559 382 P HA 0.195 nan 4.420 nan 0.000 0.241 382 P C 0.862 177.933 177.300 -0.381 0.000 1.191 382 P CA 0.431 63.357 63.100 -0.290 0.000 0.771 382 P CB -0.031 31.469 31.700 -0.333 0.000 0.929 383 L N 0.461 121.403 121.223 -0.468 0.000 2.397 383 L HA 0.248 4.588 4.340 -0.000 0.000 0.271 383 L C 0.580 177.006 176.870 -0.739 0.000 1.148 383 L CA 0.025 54.506 54.840 -0.598 0.000 0.825 383 L CB 0.324 41.966 42.059 -0.695 0.000 1.117 383 L HN -0.125 nan 8.230 nan 0.000 0.456 384 E N 2.150 121.956 120.200 -0.657 0.000 2.185 384 E HA 0.435 4.785 4.350 -0.000 0.000 0.261 384 E C -1.260 175.078 176.600 -0.437 0.000 0.879 384 E CA -0.483 55.606 56.400 -0.520 0.000 0.756 384 E CB 1.450 31.005 29.700 -0.243 0.000 1.152 384 E HN 0.211 nan 8.360 nan 0.000 0.416 385 F N 0.792 120.739 119.950 -0.004 0.000 2.410 385 F HA 0.281 4.808 4.527 -0.000 0.000 0.324 385 F C 1.061 176.899 175.800 0.063 0.000 1.093 385 F CA -1.004 57.010 58.000 0.023 0.000 1.028 385 F CB 0.632 39.551 39.000 -0.135 0.000 1.309 385 F HN 0.205 nan 8.300 nan 0.000 0.499 386 E N 1.672 122.080 120.200 0.347 0.000 1.932 386 E HA 0.375 4.725 4.350 -0.000 0.000 0.275 386 E C 0.596 177.345 176.600 0.249 0.000 1.159 386 E CA 0.210 56.763 56.400 0.255 0.000 0.905 386 E CB 0.063 29.921 29.700 0.263 0.000 1.059 386 E HN 0.784 nan 8.360 nan 0.000 0.400 387 G N 3.786 112.703 108.800 0.195 0.000 2.796 387 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 387 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 387 G C -0.276 174.758 174.900 0.224 0.000 1.381 387 G CA -0.443 44.770 45.100 0.189 0.000 0.867 387 G HN 0.551 nan 8.290 nan 0.000 0.552 388 D N 0.848 121.379 120.400 0.218 0.000 2.498 388 D HA 0.332 4.972 4.640 -0.000 0.000 0.229 388 D C 2.211 178.718 176.300 0.345 0.000 1.188 388 D CA 0.893 55.041 54.000 0.246 0.000 1.028 388 D CB -0.182 40.730 40.800 0.187 0.000 1.087 388 D HN 0.758 nan 8.370 nan 0.000 0.510 389 T N 0.441 115.238 114.554 0.405 0.000 2.803 389 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 389 T C 1.832 176.998 174.700 0.776 0.000 1.052 389 T CA 1.131 63.603 62.100 0.620 0.000 1.136 389 T CB -0.111 68.930 68.868 0.288 0.000 0.864 389 T HN 0.240 nan 8.240 nan 0.000 0.467 390 A N 1.618 124.724 122.820 0.478 0.000 1.855 390 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 390 A C 2.228 179.870 177.584 0.096 0.000 1.191 390 A CA 2.051 54.053 52.037 -0.059 0.000 0.613 390 A CB -1.391 17.341 19.000 -0.448 0.000 0.829 390 A HN 0.768 nan 8.150 nan 0.000 0.442 391 H N -0.366 118.733 119.070 0.048 0.000 2.352 391 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 391 H C 2.123 177.468 175.328 0.027 0.000 1.097 391 H CA 2.303 58.357 56.048 0.010 0.000 1.311 391 H CB -0.293 29.477 29.762 0.014 0.000 1.377 391 H HN 0.588 nan 8.280 nan 0.000 0.504 392 Q N -0.908 118.937 119.800 0.075 0.000 2.062 392 Q HA -0.283 4.057 4.340 -0.000 0.000 0.209 392 Q C 2.163 178.079 176.000 -0.141 0.000 0.996 392 Q CA 2.241 58.036 55.803 -0.014 0.000 0.859 392 Q CB -0.477 28.372 28.738 0.185 0.000 0.920 392 Q HN 0.726 nan 8.270 nan 0.000 0.415 393 Y N 0.678 120.892 120.300 -0.144 0.000 2.181 393 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 393 Y C 2.100 177.921 175.900 -0.131 0.000 1.146 393 Y CA 1.350 59.332 58.100 -0.197 0.000 1.164 393 Y CB 0.032 38.482 38.460 -0.017 0.000 0.982 393 Y HN -0.071 nan 8.280 nan 0.000 0.515 394 R N 0.028 120.290 120.500 -0.396 0.000 2.105 394 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 394 R C 2.482 178.452 176.300 -0.552 0.000 1.135 394 R CA 1.584 57.398 56.100 -0.477 0.000 0.967 394 R CB -0.258 29.869 30.300 -0.287 0.000 0.861 394 R HN 0.364 nan 8.270 nan 0.000 0.442 395 R N 0.253 120.430 120.500 -0.539 0.000 2.105 395 R HA -0.049 4.291 4.340 -0.000 0.000 0.214 395 R C 0.749 176.851 176.300 -0.330 0.000 1.091 395 R CA 1.118 56.929 56.100 -0.481 0.000 1.007 395 R CB 0.298 30.249 30.300 -0.581 0.000 0.912 395 R HN 0.110 nan 8.270 nan 0.000 0.450 396 D N -0.456 119.772 120.400 -0.285 0.000 2.301 396 D HA 0.007 4.647 4.640 -0.000 0.000 0.206 396 D C 1.617 177.834 176.300 -0.139 0.000 0.979 396 D CA 0.599 54.486 54.000 -0.187 0.000 0.874 396 D CB 0.666 41.369 40.800 -0.161 0.000 0.968 396 D HN 0.058 nan 8.370 nan 0.000 0.510 397 V N 0.221 120.020 119.914 -0.191 0.000 2.950 397 V HA -0.004 4.116 4.120 -0.000 0.000 0.231 397 V C 1.796 177.844 176.094 -0.076 0.000 1.205 397 V CA -0.081 62.166 62.300 -0.089 0.000 1.239 397 V CB -0.151 31.674 31.823 0.003 0.000 1.050 397 V HN -0.037 nan 8.190 nan 0.000 0.498 398 F N 2.388 121.947 119.950 -0.652 0.000 2.015 398 F HA -0.244 4.283 4.527 -0.000 0.000 0.297 398 F C 2.632 178.263 175.800 -0.282 0.000 1.141 398 F CA 2.693 60.342 58.000 -0.585 0.000 1.192 398 F CB -0.742 37.651 39.000 -1.012 0.000 0.957 398 F HN 0.084 nan 8.300 nan 0.000 0.491 399 R N 0.717 120.982 120.500 -0.390 0.000 2.097 399 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 399 R C -0.712 175.531 176.300 -0.096 0.000 1.135 399 R CA 2.405 58.175 56.100 -0.549 0.000 0.934 399 R CB -1.889 27.987 30.300 -0.707 0.000 0.846 399 R HN 0.211 nan 8.270 nan 0.000 0.431 400 P HA -0.154 nan 4.420 nan 0.000 0.216 400 P C 1.073 178.491 177.300 0.195 0.000 1.153 400 P CA 1.368 64.497 63.100 0.049 0.000 0.858 400 P CB -0.252 31.461 31.700 0.021 0.000 0.789 401 F N -1.222 118.832 119.950 0.173 0.000 2.069 401 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 401 F C 2.010 178.126 175.800 0.527 0.000 1.113 401 F CA 1.429 59.632 58.000 0.338 0.000 1.214 401 F CB -0.527 38.701 39.000 0.379 0.000 0.978 401 F HN -0.223 nan 8.300 nan 0.000 0.474 402 F N 1.015 121.156 119.950 0.318 0.000 2.234 402 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 402 F C 2.280 178.222 175.800 0.237 0.000 1.087 402 F CA 1.297 59.467 58.000 0.283 0.000 1.340 402 F CB -1.020 38.258 39.000 0.464 0.000 1.031 402 F HN 0.003 nan 8.300 nan 0.000 0.500 403 D N -0.042 120.565 120.400 0.344 0.000 2.117 403 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 403 D C 2.247 178.562 176.300 0.026 0.000 0.987 403 D CA 1.187 55.304 54.000 0.195 0.000 0.829 403 D CB -0.366 40.497 40.800 0.105 0.000 0.961 403 D HN 0.369 nan 8.370 nan 0.000 0.460 404 E N -0.674 119.485 120.200 -0.070 0.000 2.097 404 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 404 E C 1.167 177.485 176.600 -0.471 0.000 1.000 404 E CA 1.188 57.389 56.400 -0.331 0.000 0.804 404 E CB -0.035 29.345 29.700 -0.534 0.000 0.740 404 E HN 0.420 nan 8.360 nan 0.000 0.454 405 Y N -1.150 119.046 120.300 -0.173 0.000 2.458 405 Y HA 0.220 4.770 4.550 -0.000 0.000 0.256 405 Y C 1.470 177.278 175.900 -0.153 0.000 1.159 405 Y CA -0.027 57.963 58.100 -0.184 0.000 1.261 405 Y CB 0.615 38.910 38.460 -0.276 0.000 1.119 405 Y HN 0.008 nan 8.280 nan 0.000 0.524 406 L N -0.927 120.297 121.223 0.002 0.000 2.717 406 L HA 0.221 4.561 4.340 -0.000 0.000 0.239 406 L C 0.341 177.159 176.870 -0.088 0.000 1.086 406 L CA 0.305 55.124 54.840 -0.034 0.000 0.897 406 L CB 0.457 42.535 42.059 0.032 0.000 1.214 406 L HN -0.222 nan 8.230 nan 0.000 0.508 407 K N 1.667 122.026 120.400 -0.069 0.000 2.484 407 K HA 0.363 4.683 4.320 -0.000 0.000 0.226 407 K C -2.528 174.020 176.600 -0.087 0.000 1.031 407 K CA -1.735 54.497 56.287 -0.091 0.000 1.026 407 K CB 1.346 33.803 32.500 -0.071 0.000 1.412 407 K HN -0.192 nan 8.250 nan 0.000 0.492 408 P HA -0.047 nan 4.420 nan 0.000 0.264 408 P C 0.861 178.114 177.300 -0.078 0.000 1.183 408 P CA 0.922 63.971 63.100 -0.086 0.000 0.763 408 P CB 0.628 32.284 31.700 -0.073 0.000 0.807 409 G N 1.481 110.232 108.800 -0.081 0.000 2.213 409 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.236 409 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.236 409 G C 0.490 175.346 174.900 -0.072 0.000 0.991 409 G CA -0.113 44.946 45.100 -0.068 0.000 0.629 409 G HN 0.586 nan 8.290 nan 0.000 0.517 410 S N 1.018 116.667 115.700 -0.085 0.000 2.572 410 S HA 0.550 5.020 4.470 -0.000 0.000 0.279 410 S C 0.957 175.499 174.600 -0.098 0.000 1.341 410 S CA 0.297 58.448 58.200 -0.081 0.000 1.043 410 S CB 1.125 64.279 63.200 -0.077 0.000 0.887 410 S HN 1.622 nan 8.310 nan 0.000 0.516 411 A N 3.354 126.125 122.820 -0.082 0.000 2.524 411 A HA 0.300 4.620 4.320 -0.000 0.000 0.250 411 A C 0.650 178.157 177.584 -0.128 0.000 1.078 411 A CA -0.140 51.843 52.037 -0.089 0.000 0.761 411 A CB -0.083 18.875 19.000 -0.070 0.000 1.012 411 A HN 0.671 nan 8.150 nan 0.000 0.500 412 S N 0.445 116.049 115.700 -0.160 0.000 2.564 412 S HA 0.406 4.875 4.470 -0.000 0.000 0.278 412 S C 0.318 174.717 174.600 -0.336 0.000 1.333 412 S CA -0.066 57.991 58.200 -0.238 0.000 1.048 412 S CB 0.619 63.699 63.200 -0.200 0.000 0.900 412 S HN 1.199 nan 8.310 nan 0.000 0.505 413 V N 1.793 121.534 119.914 -0.290 0.000 2.715 413 V HA 0.594 4.714 4.120 -0.000 0.000 0.310 413 V C -0.921 175.027 176.094 -0.243 0.000 1.054 413 V CA -0.850 61.304 62.300 -0.243 0.000 0.928 413 V CB 1.633 33.475 31.823 0.032 0.000 1.007 413 V HN 0.844 nan 8.190 nan 0.000 0.437 414 H N 4.573 123.732 119.070 0.149 0.000 2.697 414 H HA 0.538 5.094 4.556 -0.000 0.000 0.270 414 H C -0.534 174.896 175.328 0.170 0.000 1.188 414 H CA -0.453 55.692 56.048 0.162 0.000 1.322 414 H CB 1.216 31.047 29.762 0.115 0.000 1.405 414 H HN 0.594 nan 8.280 nan 0.000 0.502 415 L N 4.549 125.948 121.223 0.293 0.000 2.371 415 L HA 0.299 4.639 4.340 -0.000 0.000 0.272 415 L C -1.419 175.589 176.870 0.230 0.000 1.124 415 L CA -1.673 53.306 54.840 0.231 0.000 0.816 415 L CB 0.575 42.719 42.059 0.142 0.000 1.129 415 L HN 0.329 nan 8.230 nan 0.000 0.448 416 P HA 0.113 nan 4.420 nan 0.000 0.307 416 P C 0.037 177.476 177.300 0.232 0.000 1.306 416 P CA -0.414 62.819 63.100 0.222 0.000 0.742 416 P CB 0.865 32.702 31.700 0.229 0.000 1.349 417 D N -0.767 119.805 120.400 0.286 0.000 2.103 417 D HA -0.040 4.600 4.640 -0.000 0.000 0.190 417 D C 0.495 176.991 176.300 0.327 0.000 0.997 417 D CA 1.622 55.869 54.000 0.411 0.000 0.833 417 D CB -0.313 40.782 40.800 0.491 0.000 0.961 417 D HN 0.515 nan 8.370 nan 0.000 0.447 418 A N -0.741 122.154 122.820 0.125 0.000 2.520 418 A HA 0.611 4.931 4.320 -0.000 0.000 0.298 418 A C -1.115 176.285 177.584 -0.305 0.000 1.051 418 A CA -0.592 51.317 52.037 -0.213 0.000 0.690 418 A CB 1.260 19.958 19.000 -0.502 0.000 1.281 418 A HN 0.073 nan 8.150 nan 0.000 0.402 419 I N 2.787 123.114 120.570 -0.406 0.000 2.359 419 I HA 0.403 4.573 4.170 -0.000 0.000 0.284 419 I C -0.957 174.923 176.117 -0.394 0.000 1.018 419 I CA -0.091 60.893 61.300 -0.528 0.000 1.173 419 I CB 0.858 38.494 38.000 -0.606 0.000 1.326 419 I HN 0.454 nan 8.210 nan 0.000 0.462 420 I N 5.894 126.197 120.570 -0.446 0.000 2.509 420 I HA 0.290 4.460 4.170 -0.000 0.000 0.293 420 I C -0.547 175.301 176.117 -0.449 0.000 1.020 420 I CA -0.921 60.108 61.300 -0.453 0.000 1.088 420 I CB 1.864 39.497 38.000 -0.612 0.000 1.267 420 I HN 0.374 nan 8.210 nan 0.000 0.430 421 Y N 5.920 125.699 120.300 -0.867 0.000 2.411 421 Y HA 0.154 4.704 4.550 -0.000 0.000 0.333 421 Y C 0.391 175.858 175.900 -0.721 0.000 1.186 421 Y CA 0.090 57.487 58.100 -1.171 0.000 1.381 421 Y CB 0.644 38.070 38.460 -1.723 0.000 1.273 421 Y HN 0.540 nan 8.280 nan 0.000 0.546 422 N N 3.515 121.543 118.700 -1.119 0.000 2.426 422 N HA 0.023 4.763 4.740 -0.000 0.000 0.257 422 N C 0.250 175.379 175.510 -0.634 0.000 1.002 422 N CA 0.274 52.908 53.050 -0.693 0.000 0.942 422 N CB 1.192 39.363 38.487 -0.525 0.000 1.112 422 N HN 0.893 nan 8.380 nan 0.000 0.499 423 T N 0.092 114.496 114.554 -0.249 0.000 3.160 423 T HA 0.115 4.465 4.350 -0.000 0.000 0.257 423 T C 1.316 176.015 174.700 -0.002 0.000 1.147 423 T CA 0.404 62.547 62.100 0.072 0.000 1.064 423 T CB 0.233 69.252 68.868 0.251 0.000 0.949 423 T HN 0.467 nan 8.240 nan 0.000 0.526 424 G N 1.243 109.863 108.800 -0.300 0.000 2.808 424 G HA2 0.068 4.028 3.960 -0.000 0.000 0.210 424 G HA3 0.068 4.028 3.960 -0.000 0.000 0.210 424 G C 1.122 175.869 174.900 -0.255 0.000 1.177 424 G CA 0.041 44.881 45.100 -0.434 0.000 0.853 424 G HN 0.365 nan 8.290 nan 0.000 0.625 425 D N 0.644 120.886 120.400 -0.263 0.000 2.264 425 D HA -0.010 4.630 4.640 -0.000 0.000 0.208 425 D C 0.577 176.763 176.300 -0.190 0.000 0.966 425 D CA 0.695 54.574 54.000 -0.202 0.000 0.864 425 D CB 0.099 40.777 40.800 -0.202 0.000 0.933 425 D HN 0.157 nan 8.370 nan 0.000 0.499 426 Q N -0.576 119.057 119.800 -0.279 0.000 2.470 426 Q HA -0.200 4.140 4.340 -0.000 0.000 0.290 426 Q C -0.198 175.604 176.000 -0.331 0.000 1.353 426 Q CA 0.894 56.570 55.803 -0.211 0.000 0.787 426 Q CB -1.894 26.880 28.738 0.059 0.000 1.158 426 Q HN 0.599 nan 8.270 nan 0.000 0.426 427 K N -2.521 117.461 120.400 -0.696 0.000 2.466 427 K HA 0.684 5.004 4.320 -0.000 0.000 0.277 427 K C -1.180 175.009 176.600 -0.685 0.000 1.039 427 K CA -0.955 55.071 56.287 -0.434 0.000 0.904 427 K CB 0.925 33.331 32.500 -0.158 0.000 1.506 427 K HN -0.034 nan 8.250 nan 0.000 0.441 428 W N 1.221 122.394 121.300 -0.211 0.000 2.365 428 W HA 0.350 5.010 4.660 -0.000 0.000 0.316 428 W C -0.692 175.708 176.519 -0.199 0.000 1.164 428 W CA 0.156 57.394 57.345 -0.179 0.000 1.204 428 W CB 1.322 30.814 29.460 0.054 0.000 1.213 428 W HN 0.389 nan 8.180 nan 0.000 0.539 429 D N 2.136 122.430 120.400 -0.176 0.000 2.308 429 D HA 0.201 4.841 4.640 -0.000 0.000 0.242 429 D C -1.313 174.631 176.300 -0.594 0.000 1.059 429 D CA -0.588 53.149 54.000 -0.437 0.000 0.830 429 D CB 1.207 41.518 40.800 -0.815 0.000 1.161 429 D HN 0.247 nan 8.370 nan 0.000 0.494 430 Y N 1.682 121.701 120.300 -0.468 0.000 2.478 430 Y HA 0.255 4.805 4.550 -0.000 0.000 0.329 430 Y C -0.319 175.429 175.900 -0.253 0.000 0.967 430 Y CA -0.853 57.073 58.100 -0.290 0.000 1.255 430 Y CB 0.727 39.120 38.460 -0.112 0.000 1.103 430 Y HN 0.273 nan 8.280 nan 0.000 0.497 431 Y N 3.358 123.701 120.300 0.072 0.000 2.404 431 Y HA 0.237 4.787 4.550 -0.000 0.000 0.344 431 Y C 1.571 177.575 175.900 0.173 0.000 0.970 431 Y CA -0.705 57.472 58.100 0.128 0.000 1.180 431 Y CB 0.956 39.503 38.460 0.145 0.000 1.138 431 Y HN 0.621 nan 8.280 nan 0.000 0.510 432 R N 1.351 122.043 120.500 0.320 0.000 2.103 432 R HA -0.138 4.202 4.340 -0.000 0.000 0.242 432 R C 0.130 176.586 176.300 0.260 0.000 1.142 432 R CA 1.347 57.594 56.100 0.245 0.000 0.960 432 R CB 0.061 30.473 30.300 0.186 0.000 0.858 432 R HN 0.476 nan 8.270 nan 0.000 0.439 433 S N -0.960 114.908 115.700 0.279 0.000 2.605 433 S HA 0.423 4.893 4.470 -0.000 0.000 0.308 433 S C -2.135 172.656 174.600 0.319 0.000 1.113 433 S CA -0.768 57.583 58.200 0.252 0.000 1.049 433 S CB 0.922 64.210 63.200 0.146 0.000 1.001 433 S HN 0.340 nan 8.310 nan 0.000 0.480 434 W N 6.243 127.629 121.300 0.143 0.000 3.274 434 W HA 0.559 5.219 4.660 -0.000 0.000 0.327 434 W C -2.936 173.693 176.519 0.183 0.000 1.172 434 W CA -1.513 55.877 57.345 0.075 0.000 1.217 434 W CB 1.428 30.934 29.460 0.077 0.000 1.376 434 W HN 0.463 nan 8.180 nan 0.000 0.507 435 P HA 0.264 nan 4.420 nan 0.000 0.278 435 P C 0.206 177.175 177.300 -0.553 0.000 1.258 435 P CA -0.191 62.113 63.100 -1.327 0.000 0.811 435 P CB 1.790 32.633 31.700 -1.427 0.000 1.063 436 S N -0.514 114.897 115.700 -0.480 0.000 2.436 436 S HA 0.068 4.538 4.470 -0.000 0.000 0.228 436 S C 0.715 175.190 174.600 -0.208 0.000 1.014 436 S CA 0.458 58.516 58.200 -0.237 0.000 0.950 436 S CB -0.313 62.780 63.200 -0.179 0.000 0.784 436 S HN 0.467 nan 8.310 nan 0.000 0.504 437 V N -0.420 119.334 119.914 -0.267 0.000 2.709 437 V HA 0.864 4.984 4.120 -0.000 0.000 0.308 437 V C -0.201 175.758 176.094 -0.223 0.000 1.062 437 V CA -1.191 60.994 62.300 -0.193 0.000 0.901 437 V CB 0.791 32.532 31.823 -0.137 0.000 1.003 437 V HN 0.420 nan 8.190 nan 0.000 0.425 438 C N 2.050 121.255 119.300 -0.157 0.000 3.276 438 C HA 0.651 5.111 4.460 -0.000 0.000 0.361 438 C C 0.986 175.933 174.990 -0.073 0.000 3.667 438 C CA 0.263 59.198 59.018 -0.137 0.000 1.341 438 C CB 1.266 28.911 27.740 -0.158 0.000 4.126 438 C HN 0.930 nan 8.230 nan 0.000 0.474 439 E N 0.508 120.683 120.200 -0.043 0.000 2.290 439 E HA 0.241 4.591 4.350 -0.000 0.000 0.197 439 E C -0.215 176.380 176.600 -0.008 0.000 0.948 439 E CA 0.590 56.987 56.400 -0.005 0.000 0.895 439 E CB 0.609 30.333 29.700 0.041 0.000 0.865 439 E HN 0.702 nan 8.360 nan 0.000 0.486 440 S N 0.685 116.375 115.700 -0.018 0.000 2.614 440 S HA 0.336 4.806 4.470 -0.000 0.000 0.288 440 S C -1.071 173.511 174.600 -0.031 0.000 1.137 440 S CA -0.982 57.208 58.200 -0.017 0.000 0.992 440 S CB 1.309 64.507 63.200 -0.004 0.000 1.026 440 S HN 0.343 nan 8.310 nan 0.000 0.486 441 N N -0.174 118.508 118.700 -0.030 0.000 2.590 441 N HA -0.136 4.604 4.740 -0.000 0.000 0.273 441 N C -1.189 174.290 175.510 -0.052 0.000 1.210 441 N CA 0.297 53.326 53.050 -0.036 0.000 0.676 441 N CB -1.328 37.139 38.487 -0.033 0.000 0.881 441 N HN 0.666 nan 8.380 nan 0.000 0.550 442 C N 0.389 119.657 119.300 -0.053 0.000 3.113 442 C HA 0.336 4.795 4.460 -0.000 0.000 0.376 442 C C 2.046 177.003 174.990 -0.056 0.000 1.077 442 C CA -0.321 58.655 59.018 -0.070 0.000 1.253 442 C CB 1.345 29.024 27.740 -0.102 0.000 1.637 442 C HN 0.736 nan 8.230 nan 0.000 0.535 443 T N 1.981 116.503 114.554 -0.052 0.000 2.668 443 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 443 T C 0.865 175.542 174.700 -0.039 0.000 1.041 443 T CA 2.438 64.515 62.100 -0.038 0.000 1.160 443 T CB -0.255 68.592 68.868 -0.035 0.000 0.857 443 T HN 1.020 nan 8.240 nan 0.000 0.455 444 G N -1.310 107.457 108.800 -0.054 0.000 2.818 444 G HA2 0.626 4.586 3.960 -0.000 0.000 0.286 444 G HA3 0.626 4.586 3.960 -0.000 0.000 0.286 444 G C -0.527 174.341 174.900 -0.054 0.000 1.364 444 G CA -0.210 44.861 45.100 -0.048 0.000 0.938 444 G HN 0.477 nan 8.290 nan 0.000 0.490 445 G N -1.430 107.345 108.800 -0.041 0.000 2.537 445 G HA2 0.592 4.552 3.960 -0.000 0.000 0.323 445 G HA3 0.592 4.552 3.960 -0.000 0.000 0.323 445 G C -0.331 174.547 174.900 -0.037 0.000 1.207 445 G CA -0.914 44.164 45.100 -0.036 0.000 0.976 445 G HN 0.641 nan 8.290 nan 0.000 0.487 446 L N -0.115 121.089 121.223 -0.032 0.000 2.453 446 L HA 0.389 4.729 4.340 -0.000 0.000 0.261 446 L C 0.340 177.205 176.870 -0.007 0.000 1.179 446 L CA -0.336 54.487 54.840 -0.029 0.000 0.813 446 L CB 0.800 42.837 42.059 -0.037 0.000 1.110 446 L HN 0.322 nan 8.230 nan 0.000 0.466 447 T N 1.168 115.727 114.554 0.009 0.000 2.772 447 T HA 0.378 4.728 4.350 -0.000 0.000 0.288 447 T C -2.522 172.208 174.700 0.049 0.000 0.994 447 T CA -1.500 60.629 62.100 0.048 0.000 0.951 447 T CB 1.275 70.174 68.868 0.052 0.000 0.933 447 T HN 0.296 nan 8.240 nan 0.000 0.447 448 P HA 0.206 nan 4.420 nan 0.000 0.276 448 P C -0.779 176.294 177.300 -0.379 0.000 1.235 448 P CA -0.774 62.140 63.100 -0.309 0.000 0.772 448 P CB 0.438 31.778 31.700 -0.600 0.000 0.871 449 L N 6.233 127.195 121.223 -0.434 0.000 2.272 449 L HA 0.368 4.708 4.340 -0.000 0.000 0.284 449 L C -1.132 175.453 176.870 -0.475 0.000 1.045 449 L CA -1.021 53.482 54.840 -0.561 0.000 0.842 449 L CB -1.184 40.540 42.059 -0.559 0.000 1.224 449 L HN 0.246 nan 8.230 nan 0.000 0.430 450 Y N 4.143 124.286 120.300 -0.262 0.000 2.336 450 Y HA 0.341 4.891 4.550 -0.000 0.000 0.331 450 Y C 0.360 176.086 175.900 -0.290 0.000 1.211 450 Y CA -0.219 57.740 58.100 -0.235 0.000 1.346 450 Y CB 0.713 39.041 38.460 -0.220 0.000 1.271 450 Y HN 0.401 nan 8.280 nan 0.000 0.538 451 L N 2.125 123.256 121.223 -0.153 0.000 2.421 451 L HA 0.673 5.013 4.340 -0.000 0.000 0.263 451 L C 0.233 176.894 176.870 -0.348 0.000 1.122 451 L CA 0.041 54.637 54.840 -0.406 0.000 0.804 451 L CB 0.826 42.476 42.059 -0.681 0.000 1.150 451 L HN 0.853 nan 8.230 nan 0.000 0.457 452 A N 0.292 122.817 122.820 -0.491 0.000 2.529 452 A HA 0.597 4.917 4.320 -0.000 0.000 0.296 452 A C -1.491 175.674 177.584 -0.698 0.000 1.205 452 A CA -0.684 51.048 52.037 -0.508 0.000 0.671 452 A CB 0.709 19.588 19.000 -0.200 0.000 1.301 452 A HN 0.681 nan 8.150 nan 0.000 0.450 453 D N -0.441 119.736 120.400 -0.371 0.000 2.361 453 D HA 0.371 5.011 4.640 -0.000 0.000 0.239 453 D C 0.964 177.193 176.300 -0.118 0.000 1.200 453 D CA 0.856 54.748 54.000 -0.179 0.000 0.915 453 D CB 0.327 41.124 40.800 -0.005 0.000 1.170 453 D HN 1.976 nan 8.370 nan 0.000 0.444 454 G N 0.308 109.065 108.800 -0.071 0.000 2.160 454 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.251 454 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.251 454 G C 0.498 175.448 174.900 0.082 0.000 1.008 454 G CA 0.498 45.606 45.100 0.013 0.000 0.724 454 G HN 0.874 nan 8.290 nan 0.000 0.514 455 H N -2.055 117.019 119.070 0.006 0.000 2.776 455 H HA -0.176 4.380 4.556 -0.000 0.000 0.300 455 H C 1.443 176.849 175.328 0.129 0.000 1.161 455 H CA 1.857 57.912 56.048 0.012 0.000 1.147 455 H CB -1.392 28.260 29.762 -0.183 0.000 1.366 455 H HN 1.379 nan 8.280 nan 0.000 0.397 456 G N -0.245 108.648 108.800 0.155 0.000 2.557 456 G HA2 0.629 4.589 3.960 -0.000 0.000 0.302 456 G HA3 0.629 4.589 3.960 -0.000 0.000 0.302 456 G C -0.215 174.701 174.900 0.026 0.000 1.311 456 G CA -0.753 44.395 45.100 0.079 0.000 1.030 456 G HN 0.125 nan 8.290 nan 0.000 0.509 457 L N 0.119 121.317 121.223 -0.043 0.000 2.464 457 L HA 0.587 4.927 4.340 -0.000 0.000 0.266 457 L C -0.411 176.359 176.870 -0.167 0.000 0.965 457 L CA -0.651 54.107 54.840 -0.138 0.000 0.833 457 L CB 2.382 44.343 42.059 -0.163 0.000 1.296 457 L HN 0.626 nan 8.230 nan 0.000 0.405 458 S N 1.201 116.794 115.700 -0.178 0.000 2.541 458 S HA 0.526 4.996 4.470 -0.000 0.000 0.271 458 S C 0.166 174.712 174.600 -0.090 0.000 1.133 458 S CA -0.496 57.632 58.200 -0.120 0.000 0.876 458 S CB 1.079 64.275 63.200 -0.006 0.000 1.105 458 S HN 0.447 nan 8.310 nan 0.000 0.470 459 F N 1.871 121.873 119.950 0.085 0.000 2.502 459 F HA 0.135 4.662 4.527 -0.000 0.000 0.298 459 F C 1.693 177.640 175.800 0.246 0.000 1.111 459 F CA 0.468 58.545 58.000 0.128 0.000 1.445 459 F CB 0.114 39.147 39.000 0.055 0.000 1.081 459 F HN 0.417 nan 8.300 nan 0.000 0.558 460 T N 0.686 115.423 114.554 0.305 0.000 2.729 460 T HA -0.015 4.335 4.350 -0.000 0.000 0.296 460 T C -0.128 174.603 174.700 0.051 0.000 0.928 460 T CA -0.305 61.906 62.100 0.186 0.000 1.045 460 T CB -0.188 68.746 68.868 0.111 0.000 0.902 460 T HN 0.050 nan 8.240 nan 0.000 0.500 461 H N 6.244 125.168 119.070 -0.244 0.000 3.187 461 H HA 0.058 4.614 4.556 -0.000 0.000 0.286 461 H C -2.357 172.731 175.328 -0.399 0.000 0.944 461 H CA -1.550 54.025 56.048 -0.788 0.000 1.429 461 H CB 0.355 29.684 29.762 -0.721 0.000 1.483 461 H HN 0.290 nan 8.280 nan 0.000 0.555 462 P HA 0.086 nan 4.420 nan 0.000 0.270 462 P C 0.251 177.597 177.300 0.076 0.000 1.242 462 P CA -0.007 63.039 63.100 -0.090 0.000 0.768 462 P CB 0.741 32.361 31.700 -0.134 0.000 0.820 463 A N 4.173 127.035 122.820 0.069 0.000 1.877 463 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 463 A C 1.293 178.888 177.584 0.019 0.000 1.186 463 A CA 1.421 53.482 52.037 0.040 0.000 0.620 463 A CB -1.122 17.872 19.000 -0.011 0.000 0.822 463 A HN 0.601 nan 8.150 nan 0.000 0.443 464 A N -0.163 122.656 122.820 -0.003 0.000 2.387 464 A HA 0.403 4.723 4.320 -0.000 0.000 0.251 464 A C -0.454 177.097 177.584 -0.054 0.000 1.113 464 A CA 0.157 52.180 52.037 -0.023 0.000 0.794 464 A CB -0.132 18.855 19.000 -0.021 0.000 1.069 464 A HN 0.476 nan 8.150 nan 0.000 0.506 465 D N -1.558 118.788 120.400 -0.089 0.000 2.198 465 D HA 0.615 5.255 4.640 -0.000 0.000 0.247 465 D C 0.206 176.294 176.300 -0.353 0.000 1.010 465 D CA 0.716 54.603 54.000 -0.188 0.000 0.880 465 D CB 1.733 42.499 40.800 -0.056 0.000 1.209 465 D HN 0.825 nan 8.370 nan 0.000 0.451 466 G N -0.425 107.887 108.800 -0.813 0.000 2.684 466 G HA2 0.765 4.725 3.960 -0.000 0.000 0.290 466 G HA3 0.765 4.725 3.960 -0.000 0.000 0.290 466 G C -1.819 172.324 174.900 -1.263 0.000 1.425 466 G CA -0.735 43.748 45.100 -1.028 0.000 0.822 466 G HN 0.614 nan 8.290 nan 0.000 0.482 467 A N 0.295 122.727 122.820 -0.646 0.000 2.594 467 A HA 0.734 5.054 4.320 -0.000 0.000 0.296 467 A C -2.075 175.537 177.584 0.046 0.000 1.061 467 A CA -0.679 51.220 52.037 -0.230 0.000 0.689 467 A CB 1.935 20.883 19.000 -0.088 0.000 1.280 467 A HN 0.493 nan 8.150 nan 0.000 0.406 468 D N 1.050 121.558 120.400 0.180 0.000 2.646 468 D HA 0.634 5.274 4.640 -0.000 0.000 0.245 468 D C -0.879 175.560 176.300 0.232 0.000 1.099 468 D CA -0.033 54.093 54.000 0.210 0.000 0.849 468 D CB 2.202 43.156 40.800 0.256 0.000 1.448 468 D HN 0.332 nan 8.370 nan 0.000 0.489 469 S N 1.160 116.977 115.700 0.195 0.000 2.473 469 S HA 0.543 5.013 4.470 -0.000 0.000 0.307 469 S C -0.871 173.855 174.600 0.210 0.000 1.094 469 S CA -0.848 57.444 58.200 0.153 0.000 1.070 469 S CB 0.850 64.100 63.200 0.083 0.000 1.019 469 S HN 0.413 nan 8.310 nan 0.000 0.480 470 Y N -0.430 119.956 120.300 0.143 0.000 2.462 470 Y HA 0.810 5.360 4.550 -0.000 0.000 0.346 470 Y C -0.988 174.977 175.900 0.109 0.000 0.976 470 Y CA -1.433 56.736 58.100 0.115 0.000 1.044 470 Y CB 0.547 39.076 38.460 0.114 0.000 1.230 470 Y HN 0.258 nan 8.280 nan 0.000 0.455 471 V N 3.746 123.765 119.914 0.175 0.000 2.368 471 V HA 0.274 4.394 4.120 -0.000 0.000 0.266 471 V C 0.124 176.317 176.094 0.165 0.000 1.045 471 V CA -0.343 62.014 62.300 0.095 0.000 0.899 471 V CB 0.889 32.763 31.823 0.084 0.000 1.006 471 V HN 0.878 nan 8.190 nan 0.000 0.470 472 S N 3.922 119.690 115.700 0.114 0.000 2.430 472 S HA 0.289 4.759 4.470 -0.000 0.000 0.289 472 S C -0.529 174.129 174.600 0.096 0.000 1.143 472 S CA -0.611 57.678 58.200 0.148 0.000 1.067 472 S CB 0.655 63.925 63.200 0.117 0.000 0.964 472 S HN 0.793 nan 8.310 nan 0.000 0.485 473 D N 5.268 125.737 120.400 0.115 0.000 2.441 473 D HA 0.455 5.095 4.640 -0.000 0.000 0.231 473 D C -1.859 174.476 176.300 0.058 0.000 1.073 473 D CA -2.337 51.725 54.000 0.104 0.000 0.850 473 D CB 1.912 42.812 40.800 0.166 0.000 1.062 473 D HN 0.228 nan 8.370 nan 0.000 0.524 474 P HA -0.081 nan 4.420 nan 0.000 0.221 474 P C 0.866 178.039 177.300 -0.212 0.000 1.145 474 P CA 0.936 63.997 63.100 -0.065 0.000 0.795 474 P CB 0.256 31.987 31.700 0.052 0.000 0.775 475 A N -1.621 121.079 122.820 -0.200 0.000 2.168 475 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 475 A C 0.352 177.546 177.584 -0.650 0.000 1.152 475 A CA 1.040 52.831 52.037 -0.411 0.000 0.716 475 A CB -1.057 17.707 19.000 -0.393 0.000 0.794 475 A HN 0.305 nan 8.150 nan 0.000 0.465 476 H N -0.584 118.473 119.070 -0.022 0.000 2.514 476 H HA 0.258 4.814 4.556 -0.000 0.000 0.226 476 H C -2.870 172.499 175.328 0.069 0.000 1.421 476 H CA -1.570 54.513 56.048 0.059 0.000 1.394 476 H CB 0.660 30.465 29.762 0.071 0.000 1.701 476 H HN 0.244 nan 8.280 nan 0.000 0.515 477 P HA 0.007 nan 4.420 nan 0.000 0.275 477 P C 0.286 177.753 177.300 0.277 0.000 1.228 477 P CA -0.294 62.838 63.100 0.054 0.000 0.786 477 P CB 1.670 33.203 31.700 -0.279 0.000 0.927 478 V N 5.265 125.339 119.914 0.266 0.000 2.529 478 V HA 0.058 4.178 4.120 -0.000 0.000 0.292 478 V C -1.870 174.494 176.094 0.451 0.000 1.028 478 V CA -0.992 61.492 62.300 0.306 0.000 1.074 478 V CB -0.042 31.918 31.823 0.228 0.000 0.958 478 V HN 0.564 nan 8.190 nan 0.000 0.481 479 P HA 0.115 nan 4.420 nan 0.000 0.276 479 P C 0.494 177.977 177.300 0.304 0.000 1.243 479 P CA -0.358 62.994 63.100 0.420 0.000 0.768 479 P CB 0.342 32.161 31.700 0.199 0.000 0.856 480 F N 5.110 125.096 119.950 0.060 0.000 2.269 480 F HA 0.010 4.537 4.527 -0.000 0.000 0.301 480 F C 0.523 176.227 175.800 -0.160 0.000 1.082 480 F CA 0.410 58.307 58.000 -0.170 0.000 1.360 480 F CB -0.780 37.643 39.000 -0.962 0.000 1.041 480 F HN 0.137 nan 8.300 nan 0.000 0.512 481 I N -2.830 117.228 120.570 -0.853 0.000 2.827 481 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 481 I C -0.303 175.582 176.117 -0.386 0.000 1.235 481 I CA -1.449 59.469 61.300 -0.637 0.000 1.021 481 I CB 1.822 39.257 38.000 -0.941 0.000 1.259 481 I HN -0.203 nan 8.210 nan 0.000 0.427 482 S N 2.972 118.542 115.700 -0.217 0.000 2.599 482 S HA 0.063 4.533 4.470 -0.000 0.000 0.303 482 S C 0.242 174.769 174.600 -0.123 0.000 1.267 482 S CA -0.269 57.849 58.200 -0.137 0.000 1.055 482 S CB -0.063 63.076 63.200 -0.100 0.000 0.790 482 S HN 0.526 nan 8.310 nan 0.000 0.500 483 R N 2.514 122.944 120.500 -0.116 0.000 2.582 483 R HA 0.363 4.703 4.340 -0.000 0.000 0.271 483 R C -2.041 174.223 176.300 -0.060 0.000 1.078 483 R CA -1.239 54.802 56.100 -0.097 0.000 1.127 483 R CB -0.052 30.126 30.300 -0.204 0.000 1.038 483 R HN 0.480 nan 8.270 nan 0.000 0.500 484 P HA 0.310 nan 4.420 nan 0.000 0.285 484 P C -1.430 175.912 177.300 0.070 0.000 1.269 484 P CA -0.444 62.660 63.100 0.007 0.000 0.844 484 P CB 0.823 32.521 31.700 -0.003 0.000 1.094 485 F N 0.551 120.447 119.950 -0.090 0.000 2.574 485 F HA 0.655 5.182 4.527 -0.000 0.000 0.313 485 F C -1.743 173.963 175.800 -0.156 0.000 1.130 485 F CA -0.588 57.330 58.000 -0.138 0.000 0.936 485 F CB 1.732 40.593 39.000 -0.232 0.000 1.219 485 F HN 0.535 nan 8.300 nan 0.000 0.445 486 A N 5.392 127.535 122.820 -1.127 0.000 2.355 486 A HA 0.523 4.843 4.320 -0.000 0.000 0.317 486 A C -0.212 176.558 177.584 -1.357 0.000 1.094 486 A CA -0.648 50.819 52.037 -0.951 0.000 0.764 486 A CB 0.442 19.202 19.000 -0.401 0.000 1.230 486 A HN 0.893 nan 8.150 nan 0.000 0.448 487 F N 1.620 121.080 119.950 -0.816 0.000 2.287 487 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 487 F C 2.516 178.093 175.800 -0.372 0.000 1.069 487 F CA 1.793 59.464 58.000 -0.550 0.000 1.372 487 F CB 0.045 38.823 39.000 -0.370 0.000 1.056 487 F HN 0.667 nan 8.300 nan 0.000 0.523 488 A N -0.699 122.025 122.820 -0.159 0.000 2.067 488 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 488 A C 1.327 178.862 177.584 -0.082 0.000 1.158 488 A CA 0.497 52.480 52.037 -0.089 0.000 0.661 488 A CB -0.531 18.424 19.000 -0.075 0.000 0.801 488 A HN 0.361 nan 8.150 nan 0.000 0.452 489 Q N 0.612 120.315 119.800 -0.162 0.000 2.815 489 Q HA 0.217 4.557 4.340 -0.000 0.000 0.235 489 Q C 0.726 176.807 176.000 0.135 0.000 1.354 489 Q CA -0.327 55.451 55.803 -0.042 0.000 0.953 489 Q CB 0.167 28.854 28.738 -0.085 0.000 1.613 489 Q HN 0.477 nan 8.270 nan 0.000 0.572 490 S N 0.156 115.936 115.700 0.133 0.000 2.419 490 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 490 S C 1.875 176.610 174.600 0.224 0.000 1.016 490 S CA 1.310 59.647 58.200 0.229 0.000 0.974 490 S CB 0.120 63.408 63.200 0.146 0.000 0.786 490 S HN 0.703 nan 8.310 nan 0.000 0.492 491 S N 1.825 117.608 115.700 0.138 0.000 2.402 491 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 491 S C 1.647 176.324 174.600 0.129 0.000 1.030 491 S CA 0.846 59.106 58.200 0.099 0.000 1.003 491 S CB -0.272 62.963 63.200 0.058 0.000 0.813 491 S HN 0.493 nan 8.310 nan 0.000 0.477 492 R N -0.920 119.706 120.500 0.211 0.000 2.282 492 R HA 0.174 4.514 4.340 -0.000 0.000 0.195 492 R C 1.966 178.442 176.300 0.293 0.000 0.909 492 R CA 0.274 56.504 56.100 0.216 0.000 1.039 492 R CB -0.147 30.299 30.300 0.243 0.000 1.015 492 R HN 0.644 nan 8.270 nan 0.000 0.513 493 W N 3.001 124.462 121.300 0.268 0.000 2.407 493 W HA -0.114 4.546 4.660 -0.000 0.000 0.305 493 W C 1.027 177.722 176.519 0.292 0.000 1.196 493 W CA 1.162 58.683 57.345 0.294 0.000 1.311 493 W CB 0.037 29.706 29.460 0.348 0.000 1.135 493 W HN -0.097 nan 8.180 nan 0.000 0.514 494 K N 0.194 120.635 120.400 0.069 0.000 2.034 494 K HA -0.184 4.136 4.320 -0.000 0.000 0.214 494 K C -1.068 175.445 176.600 -0.145 0.000 1.051 494 K CA 1.754 57.994 56.287 -0.077 0.000 0.931 494 K CB -1.806 30.726 32.500 0.052 0.000 0.715 494 K HN 0.212 nan 8.250 nan 0.000 0.446 495 P HA 0.007 nan 4.420 nan 0.000 0.250 495 P C 0.328 177.532 177.300 -0.160 0.000 1.808 495 P CA -0.264 62.748 63.100 -0.147 0.000 1.117 495 P CB -0.726 30.911 31.700 -0.105 0.000 1.602 496 W N -0.065 121.052 121.300 -0.304 0.000 2.584 496 W HA 0.028 4.688 4.660 -0.000 0.000 0.264 496 W C 0.319 176.700 176.519 -0.229 0.000 1.264 496 W CA 0.054 57.218 57.345 -0.302 0.000 1.306 496 W CB -1.181 28.056 29.460 -0.372 0.000 1.110 496 W HN -0.143 nan 8.180 nan 0.000 0.606 497 L N 2.105 122.755 121.223 -0.955 0.000 2.551 497 L HA -0.102 4.238 4.340 -0.000 0.000 0.228 497 L C 2.033 178.625 176.870 -0.463 0.000 1.153 497 L CA 0.791 55.107 54.840 -0.874 0.000 0.851 497 L CB -0.277 41.390 42.059 -0.653 0.000 0.959 497 L HN -0.032 nan 8.230 nan 0.000 0.451 498 V N -5.181 114.447 119.914 -0.477 0.000 3.319 498 V HA 0.217 4.337 4.120 -0.000 0.000 0.317 498 V C 0.791 176.813 176.094 -0.121 0.000 1.411 498 V CA -0.454 61.567 62.300 -0.464 0.000 1.112 498 V CB -0.161 31.202 31.823 -0.766 0.000 1.031 498 V HN 0.087 nan 8.190 nan 0.000 0.448 499 Q N 1.677 121.434 119.800 -0.071 0.000 2.417 499 Q HA 0.266 4.606 4.340 -0.000 0.000 0.241 499 Q C -0.341 175.640 176.000 -0.032 0.000 1.008 499 Q CA 0.150 55.963 55.803 0.016 0.000 0.901 499 Q CB 0.932 29.665 28.738 -0.008 0.000 1.259 499 Q HN 0.501 nan 8.270 nan 0.000 0.489 500 D N 1.673 121.930 120.400 -0.238 0.000 2.382 500 D HA -0.041 4.599 4.640 -0.000 0.000 0.259 500 D C 0.101 176.240 176.300 -0.267 0.000 1.224 500 D CA 0.169 53.792 54.000 -0.629 0.000 0.894 500 D CB 0.647 40.904 40.800 -0.904 0.000 1.127 500 D HN 0.125 nan 8.370 nan 0.000 0.487 501 Q N 3.388 123.084 119.800 -0.174 0.000 2.291 501 Q HA 0.063 4.403 4.340 -0.000 0.000 0.211 501 Q C 1.273 177.233 176.000 -0.067 0.000 0.925 501 Q CA 0.080 55.859 55.803 -0.041 0.000 0.949 501 Q CB 0.126 28.889 28.738 0.042 0.000 1.015 501 Q HN 0.501 nan 8.270 nan 0.000 0.477 502 R N 0.155 120.575 120.500 -0.133 0.000 2.115 502 R HA -0.067 4.273 4.340 -0.000 0.000 0.226 502 R C 1.846 178.101 176.300 -0.075 0.000 1.100 502 R CA 0.635 56.669 56.100 -0.109 0.000 0.980 502 R CB 0.204 30.420 30.300 -0.141 0.000 0.875 502 R HN 0.368 nan 8.270 nan 0.000 0.445 503 E N 0.690 120.850 120.200 -0.067 0.000 2.051 503 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 503 E C 1.894 178.482 176.600 -0.021 0.000 0.991 503 E CA 1.213 57.587 56.400 -0.043 0.000 0.799 503 E CB 0.017 29.694 29.700 -0.038 0.000 0.748 503 E HN 0.315 nan 8.360 nan 0.000 0.449 504 A N 1.441 124.262 122.820 0.002 0.000 1.865 504 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 504 A C 2.061 179.627 177.584 -0.029 0.000 1.191 504 A CA 1.889 53.935 52.037 0.015 0.000 0.623 504 A CB -0.745 18.289 19.000 0.056 0.000 0.826 504 A HN 0.437 nan 8.150 nan 0.000 0.444 505 E N 0.142 120.316 120.200 -0.045 0.000 2.130 505 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 505 E C 2.094 178.645 176.600 -0.081 0.000 0.998 505 E CA 1.653 58.008 56.400 -0.075 0.000 0.806 505 E CB -0.152 29.504 29.700 -0.074 0.000 0.738 505 E HN 0.702 nan 8.360 nan 0.000 0.459 506 S N -0.104 115.559 115.700 -0.062 0.000 2.481 506 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 506 S C 0.864 175.434 174.600 -0.049 0.000 0.996 506 S CA -0.066 58.100 58.200 -0.058 0.000 0.942 506 S CB -0.117 63.053 63.200 -0.050 0.000 0.768 506 S HN 0.118 nan 8.310 nan 0.000 0.520 507 R N 1.831 122.306 120.500 -0.041 0.000 2.582 507 R HA 0.271 4.611 4.340 -0.000 0.000 0.271 507 R C -1.699 174.584 176.300 -0.029 0.000 1.078 507 R CA -1.482 54.603 56.100 -0.025 0.000 1.127 507 R CB 0.177 30.475 30.300 -0.004 0.000 1.038 507 R HN 0.241 nan 8.270 nan 0.000 0.500 508 P HA -0.036 nan 4.420 nan 0.000 0.249 508 P C -0.419 176.920 177.300 0.066 0.000 1.229 508 P CA 0.774 63.884 63.100 0.017 0.000 0.788 508 P CB 0.268 31.982 31.700 0.023 0.000 1.072 509 D N -0.296 120.140 120.400 0.060 0.000 2.615 509 D HA 0.141 4.781 4.640 -0.000 0.000 0.236 509 D C -0.400 175.850 176.300 -0.083 0.000 1.233 509 D CA -0.807 53.271 54.000 0.130 0.000 0.829 509 D CB -0.127 40.774 40.800 0.167 0.000 1.024 509 D HN -0.093 nan 8.370 nan 0.000 0.490 510 V N 0.567 120.358 119.914 -0.205 0.000 2.532 510 V HA 0.194 4.314 4.120 -0.000 0.000 0.294 510 V C -0.319 175.578 176.094 -0.328 0.000 1.036 510 V CA -1.111 60.974 62.300 -0.359 0.000 0.876 510 V CB 2.078 33.800 31.823 -0.169 0.000 1.012 510 V HN 0.057 nan 8.190 nan 0.000 0.432 511 V N 5.180 124.829 119.914 -0.440 0.000 2.461 511 V HA 0.564 4.684 4.120 -0.000 0.000 0.275 511 V C 0.306 176.271 176.094 -0.215 0.000 1.047 511 V CA 0.650 62.828 62.300 -0.203 0.000 0.955 511 V CB 1.785 33.651 31.823 0.070 0.000 0.988 511 V HN 1.012 nan 8.190 nan 0.000 0.471 512 T N 7.034 121.379 114.554 -0.349 0.000 2.841 512 T HA 0.660 5.010 4.350 -0.000 0.000 0.283 512 T C -1.383 173.060 174.700 -0.428 0.000 1.000 512 T CA -0.079 61.856 62.100 -0.275 0.000 0.977 512 T CB 1.140 69.886 68.868 -0.204 0.000 0.979 512 T HN 0.556 nan 8.240 nan 0.000 0.446 513 Y N 1.250 121.572 120.300 0.037 0.000 2.512 513 Y HA 0.579 5.129 4.550 -0.000 0.000 0.348 513 Y C 0.232 176.124 175.900 -0.013 0.000 0.990 513 Y CA -1.092 57.025 58.100 0.029 0.000 1.033 513 Y CB 2.002 40.460 38.460 -0.004 0.000 1.259 513 Y HN 0.702 nan 8.280 nan 0.000 0.461 514 E N -0.691 119.590 120.200 0.135 0.000 2.392 514 E HA 0.514 4.864 4.350 -0.000 0.000 0.279 514 E C -1.387 175.226 176.600 0.021 0.000 0.964 514 E CA -1.220 55.212 56.400 0.053 0.000 0.777 514 E CB 1.937 31.660 29.700 0.038 0.000 1.249 514 E HN 0.517 nan 8.360 nan 0.000 0.449 515 T N -0.519 114.027 114.554 -0.013 0.000 2.874 515 T HA 0.267 4.617 4.350 -0.000 0.000 0.281 515 T C 0.315 175.029 174.700 0.023 0.000 0.994 515 T CA -0.842 61.247 62.100 -0.018 0.000 1.015 515 T CB 1.047 69.885 68.868 -0.050 0.000 1.028 515 T HN 0.465 nan 8.240 nan 0.000 0.523 516 E N 0.404 120.625 120.200 0.034 0.000 2.409 516 E HA 0.167 4.517 4.350 -0.000 0.000 0.257 516 E C -0.007 176.631 176.600 0.063 0.000 1.150 516 E CA -0.380 56.047 56.400 0.045 0.000 0.942 516 E CB 0.870 30.597 29.700 0.045 0.000 0.979 516 E HN 0.473 nan 8.360 nan 0.000 0.447 517 V N 3.339 123.292 119.914 0.065 0.000 2.555 517 V HA -0.160 3.960 4.120 -0.000 0.000 0.299 517 V C 0.558 176.708 176.094 0.093 0.000 1.012 517 V CA 0.235 62.585 62.300 0.084 0.000 1.180 517 V CB -0.343 31.523 31.823 0.071 0.000 0.887 517 V HN 0.398 nan 8.190 nan 0.000 0.476 518 L N 5.505 126.800 121.223 0.121 0.000 2.601 518 L HA 0.022 4.362 4.340 -0.000 0.000 0.277 518 L C 1.255 178.179 176.870 0.091 0.000 1.219 518 L CA 0.753 55.663 54.840 0.116 0.000 0.915 518 L CB -0.118 42.029 42.059 0.145 0.000 1.160 518 L HN 0.666 nan 8.230 nan 0.000 0.494 519 D N 1.315 121.759 120.400 0.074 0.000 2.355 519 D HA 0.074 4.714 4.640 -0.000 0.000 0.206 519 D C 0.213 176.541 176.300 0.046 0.000 1.010 519 D CA 0.716 54.749 54.000 0.055 0.000 0.875 519 D CB 0.748 41.577 40.800 0.048 0.000 0.966 519 D HN 0.458 nan 8.370 nan 0.000 0.512 520 E N 0.270 120.499 120.200 0.049 0.000 2.343 520 E HA 0.285 4.635 4.350 -0.000 0.000 0.278 520 E C -2.578 174.048 176.600 0.043 0.000 0.910 520 E CA -1.745 54.675 56.400 0.033 0.000 0.757 520 E CB 2.784 32.495 29.700 0.019 0.000 1.218 520 E HN -0.057 nan 8.360 nan 0.000 0.435 521 P HA 0.172 nan 4.420 nan 0.000 0.275 521 P C -0.367 176.965 177.300 0.053 0.000 1.227 521 P CA -0.381 62.739 63.100 0.032 0.000 0.781 521 P CB 0.800 32.491 31.700 -0.015 0.000 0.906 522 V N 4.850 124.841 119.914 0.130 0.000 2.334 522 V HA 0.304 4.424 4.120 -0.000 0.000 0.281 522 V C 0.810 177.028 176.094 0.206 0.000 1.016 522 V CA -0.591 61.804 62.300 0.158 0.000 0.832 522 V CB 0.700 32.667 31.823 0.240 0.000 0.999 522 V HN 0.446 nan 8.190 nan 0.000 0.439 523 R N 3.539 124.098 120.500 0.098 0.000 2.254 523 R HA 0.653 4.993 4.340 -0.000 0.000 0.318 523 R C -0.566 175.799 176.300 0.109 0.000 1.031 523 R CA -0.391 55.753 56.100 0.073 0.000 0.905 523 R CB 1.756 32.068 30.300 0.020 0.000 1.050 523 R HN 0.644 nan 8.270 nan 0.000 0.456 524 V N -0.930 119.065 119.914 0.135 0.000 2.735 524 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 524 V C -0.533 175.625 176.094 0.107 0.000 1.061 524 V CA -0.658 61.731 62.300 0.148 0.000 0.913 524 V CB 2.124 34.113 31.823 0.277 0.000 1.005 524 V HN 0.699 nan 8.190 nan 0.000 0.428 525 S N 2.456 118.212 115.700 0.093 0.000 2.614 525 S HA 0.844 5.314 4.470 -0.000 0.000 0.259 525 S C -0.245 174.431 174.600 0.126 0.000 1.118 525 S CA 0.659 58.961 58.200 0.170 0.000 1.065 525 S CB 0.444 63.748 63.200 0.174 0.000 1.121 525 S HN 2.561 nan 8.310 nan 0.000 0.458 526 G N 1.876 110.793 108.800 0.195 0.000 2.368 526 G HA2 0.278 4.238 3.960 -0.000 0.000 0.269 526 G HA3 0.278 4.238 3.960 -0.000 0.000 0.269 526 G C -1.810 173.079 174.900 -0.018 0.000 1.291 526 G CA 0.029 45.063 45.100 -0.110 0.000 0.903 526 G HN 1.184 nan 8.290 nan 0.000 0.483 527 V N 2.426 122.264 119.914 -0.128 0.000 2.293 527 V HA 0.463 4.583 4.120 -0.000 0.000 0.275 527 V C -2.168 173.894 176.094 -0.053 0.000 1.021 527 V CA -1.236 61.026 62.300 -0.063 0.000 0.815 527 V CB 1.084 32.850 31.823 -0.095 0.000 1.025 527 V HN 0.499 nan 8.190 nan 0.000 0.448 528 P HA 0.178 nan 4.420 nan 0.000 0.268 528 P C -0.529 176.722 177.300 -0.082 0.000 1.204 528 P CA 0.090 63.166 63.100 -0.040 0.000 0.768 528 P CB 0.827 32.524 31.700 -0.005 0.000 0.842 529 V N 2.924 122.745 119.914 -0.155 0.000 2.417 529 V HA 0.529 4.649 4.120 -0.000 0.000 0.291 529 V C 0.412 176.245 176.094 -0.435 0.000 1.024 529 V CA -0.892 61.233 62.300 -0.292 0.000 0.861 529 V CB 1.398 33.032 31.823 -0.315 0.000 0.985 529 V HN 0.614 nan 8.190 nan 0.000 0.436 530 A N 3.038 125.449 122.820 -0.683 0.000 2.343 530 A HA 0.420 4.740 4.320 -0.000 0.000 0.305 530 A C -0.088 177.021 177.584 -0.791 0.000 1.308 530 A CA -0.185 51.381 52.037 -0.786 0.000 0.949 530 A CB -0.265 18.014 19.000 -1.202 0.000 1.148 530 A HN 0.837 nan 8.150 nan 0.000 0.545 531 D N 2.615 122.724 120.400 -0.485 0.000 2.479 531 D HA 0.394 5.034 4.640 -0.000 0.000 0.218 531 D C -0.667 175.425 176.300 -0.346 0.000 1.131 531 D CA 0.030 53.816 54.000 -0.358 0.000 0.916 531 D CB 0.300 41.042 40.800 -0.095 0.000 1.022 531 D HN 0.332 nan 8.370 nan 0.000 0.515 532 L N 3.685 124.638 121.223 -0.450 0.000 2.325 532 L HA 0.524 4.864 4.340 -0.000 0.000 0.279 532 L C -1.210 175.422 176.870 -0.397 0.000 1.054 532 L CA -0.395 54.252 54.840 -0.321 0.000 0.804 532 L CB 0.799 42.687 42.059 -0.285 0.000 1.200 532 L HN 0.213 nan 8.230 nan 0.000 0.436 533 F N 4.706 124.671 119.950 0.025 0.000 2.564 533 F HA 0.665 5.192 4.527 -0.000 0.000 0.361 533 F C 0.249 176.036 175.800 -0.021 0.000 1.161 533 F CA -0.364 57.665 58.000 0.049 0.000 1.198 533 F CB 0.966 40.008 39.000 0.071 0.000 1.424 533 F HN 0.573 nan 8.300 nan 0.000 0.517 534 A N 1.454 124.276 122.820 0.003 0.000 2.355 534 A HA 0.963 5.283 4.320 -0.000 0.000 0.324 534 A C -0.986 176.598 177.584 0.001 0.000 1.117 534 A CA -0.633 51.270 52.037 -0.224 0.000 0.785 534 A CB 1.248 19.551 19.000 -1.163 0.000 1.254 534 A HN 0.628 nan 8.150 nan 0.000 0.453 535 A N 0.678 123.553 122.820 0.092 0.000 2.374 535 A HA 0.776 5.096 4.320 -0.000 0.000 0.305 535 A C -0.261 177.502 177.584 0.298 0.000 1.053 535 A CA -0.135 52.028 52.037 0.209 0.000 0.726 535 A CB 1.366 20.446 19.000 0.133 0.000 1.229 535 A HN 1.351 nan 8.150 nan 0.000 0.431 536 T N 0.098 114.853 114.554 0.335 0.000 2.885 536 T HA 0.449 4.799 4.350 -0.000 0.000 0.285 536 T C 1.215 175.997 174.700 0.138 0.000 1.019 536 T CA 0.267 62.514 62.100 0.244 0.000 1.010 536 T CB 1.156 70.172 68.868 0.246 0.000 1.022 536 T HN 1.385 nan 8.240 nan 0.000 0.466 537 S N 2.495 118.245 115.700 0.083 0.000 2.607 537 S HA 0.252 4.722 4.470 -0.000 0.000 0.224 537 S C 1.103 175.737 174.600 0.058 0.000 0.969 537 S CA 0.173 58.410 58.200 0.061 0.000 0.927 537 S CB -0.422 62.804 63.200 0.043 0.000 0.772 537 S HN 0.901 nan 8.310 nan 0.000 0.533 538 G N 0.866 109.705 108.800 0.064 0.000 2.641 538 G HA2 0.456 4.416 3.960 -0.000 0.000 0.239 538 G HA3 0.456 4.416 3.960 -0.000 0.000 0.239 538 G C 0.483 175.428 174.900 0.075 0.000 1.402 538 G CA 0.179 45.313 45.100 0.057 0.000 1.046 538 G HN 0.399 nan 8.290 nan 0.000 0.565 539 T N -2.719 111.884 114.554 0.081 0.000 3.043 539 T HA 0.310 4.660 4.350 -0.000 0.000 0.272 539 T C -0.187 174.601 174.700 0.146 0.000 0.990 539 T CA 0.032 62.193 62.100 0.101 0.000 0.897 539 T CB 0.601 69.536 68.868 0.111 0.000 1.111 539 T HN 0.388 nan 8.240 nan 0.000 0.529 540 D N -0.307 120.165 120.400 0.120 0.000 2.643 540 D HA 0.724 5.364 4.640 -0.000 0.000 0.283 540 D C -1.407 174.899 176.300 0.009 0.000 1.242 540 D CA -0.209 53.858 54.000 0.111 0.000 0.863 540 D CB 2.401 43.260 40.800 0.099 0.000 1.382 540 D HN 0.029 nan 8.370 nan 0.000 0.444 541 S N -0.217 115.439 115.700 -0.074 0.000 2.686 541 S HA 0.339 4.809 4.470 -0.000 0.000 0.273 541 S C -2.238 172.085 174.600 -0.462 0.000 1.060 541 S CA -0.726 57.273 58.200 -0.336 0.000 0.845 541 S CB 1.204 64.062 63.200 -0.570 0.000 1.086 541 S HN 0.401 nan 8.310 nan 0.000 0.461 542 D N 0.521 120.546 120.400 -0.624 0.000 2.481 542 D HA 0.545 5.185 4.640 -0.000 0.000 0.244 542 D C -1.464 174.434 176.300 -0.671 0.000 1.057 542 D CA -0.060 53.659 54.000 -0.467 0.000 0.848 542 D CB 0.997 41.667 40.800 -0.217 0.000 1.388 542 D HN 0.415 nan 8.370 nan 0.000 0.475 543 W N 1.671 122.947 121.300 -0.040 0.000 2.362 543 W HA 0.480 5.140 4.660 -0.000 0.000 0.316 543 W C -0.652 175.832 176.519 -0.059 0.000 1.024 543 W CA -0.935 56.377 57.345 -0.054 0.000 1.270 543 W CB 1.239 30.608 29.460 -0.152 0.000 1.273 543 W HN -0.047 nan 8.180 nan 0.000 0.424 544 V N 4.787 124.740 119.914 0.066 0.000 2.370 544 V HA 0.466 4.586 4.120 -0.000 0.000 0.279 544 V C -0.107 175.974 176.094 -0.022 0.000 1.029 544 V CA -0.953 61.235 62.300 -0.187 0.000 0.870 544 V CB 0.933 32.373 31.823 -0.639 0.000 0.984 544 V HN 0.293 nan 8.190 nan 0.000 0.451 545 V N 5.269 125.233 119.914 0.085 0.000 2.555 545 V HA 0.549 4.669 4.120 -0.000 0.000 0.302 545 V C -0.208 175.958 176.094 0.119 0.000 1.038 545 V CA -0.911 61.467 62.300 0.131 0.000 0.887 545 V CB 1.978 33.917 31.823 0.195 0.000 0.991 545 V HN 0.863 nan 8.190 nan 0.000 0.434 546 K N 4.079 124.541 120.400 0.103 0.000 2.463 546 K HA 0.555 4.875 4.320 -0.000 0.000 0.255 546 K C -1.412 175.262 176.600 0.124 0.000 0.942 546 K CA -0.836 55.536 56.287 0.143 0.000 0.814 546 K CB 2.534 35.126 32.500 0.153 0.000 1.122 546 K HN 0.444 nan 8.250 nan 0.000 0.425 547 L N 5.176 126.482 121.223 0.137 0.000 2.261 547 L HA 0.435 4.775 4.340 -0.000 0.000 0.289 547 L C -1.059 175.920 176.870 0.182 0.000 1.059 547 L CA -0.091 54.830 54.840 0.134 0.000 0.816 547 L CB 0.249 42.390 42.059 0.137 0.000 1.191 547 L HN 0.552 nan 8.230 nan 0.000 0.431 548 I N 4.041 124.724 120.570 0.188 0.000 2.509 548 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 548 I C -0.795 175.521 176.117 0.332 0.000 1.020 548 I CA -0.707 60.723 61.300 0.218 0.000 1.088 548 I CB 2.006 40.099 38.000 0.154 0.000 1.267 548 I HN 0.484 nan 8.210 nan 0.000 0.430 549 D N 5.911 126.524 120.400 0.354 0.000 2.329 549 D HA 0.280 4.920 4.640 -0.000 0.000 0.232 549 D C -0.912 175.585 176.300 0.328 0.000 1.088 549 D CA -0.282 54.009 54.000 0.485 0.000 0.835 549 D CB 1.604 42.641 40.800 0.395 0.000 1.078 549 D HN 0.097 nan 8.370 nan 0.000 0.495 550 V N 5.495 125.580 119.914 0.285 0.000 2.334 550 V HA 0.144 4.264 4.120 -0.000 0.000 0.267 550 V C 0.682 176.792 176.094 0.027 0.000 1.040 550 V CA -0.893 61.497 62.300 0.150 0.000 0.866 550 V CB 0.661 32.549 31.823 0.109 0.000 1.019 550 V HN 0.498 nan 8.190 nan 0.000 0.468 551 Q N 5.022 124.784 119.800 -0.064 0.000 2.479 551 Q HA 0.135 4.475 4.340 -0.000 0.000 0.267 551 Q C -2.272 173.574 176.000 -0.257 0.000 1.071 551 Q CA -1.580 54.004 55.803 -0.366 0.000 0.935 551 Q CB -0.223 28.419 28.738 -0.160 0.000 1.295 551 Q HN 0.408 nan 8.270 nan 0.000 0.476 552 P HA -0.084 nan 4.420 nan 0.000 0.262 552 P C 0.152 177.428 177.300 -0.040 0.000 1.182 552 P CA 0.625 63.669 63.100 -0.093 0.000 0.761 552 P CB 0.365 32.040 31.700 -0.041 0.000 0.795 553 A N 4.220 127.035 122.820 -0.008 0.000 2.023 553 A HA -0.185 4.135 4.320 -0.000 0.000 0.223 553 A C 0.951 178.535 177.584 0.000 0.000 1.180 553 A CA 1.835 53.872 52.037 0.001 0.000 0.659 553 A CB -0.630 18.375 19.000 0.008 0.000 0.817 553 A HN 0.502 nan 8.150 nan 0.000 0.466 554 M N -0.411 119.189 119.600 -0.000 0.000 2.326 554 M HA 0.302 4.782 4.480 -0.000 0.000 0.292 554 M C -0.921 175.378 176.300 -0.002 0.000 1.081 554 M CA -0.044 55.256 55.300 0.001 0.000 0.919 554 M CB 1.844 34.447 32.600 0.005 0.000 1.634 554 M HN 0.255 nan 8.290 nan 0.000 0.451 555 T N -0.450 114.101 114.554 -0.005 0.000 3.317 555 T HA 0.394 4.744 4.350 -0.000 0.000 0.361 555 T C -2.056 172.640 174.700 -0.007 0.000 1.499 555 T CA -1.370 60.725 62.100 -0.008 0.000 1.529 555 T CB 0.563 69.418 68.868 -0.022 0.000 0.997 555 T HN 0.339 nan 8.240 nan 0.000 0.624 556 P HA -0.141 nan 4.420 nan 0.000 0.217 556 P C 0.736 178.032 177.300 -0.007 0.000 1.151 556 P CA 1.270 64.368 63.100 -0.003 0.000 0.849 556 P CB 0.231 31.932 31.700 0.001 0.000 0.787 557 D N -0.877 119.519 120.400 -0.007 0.000 2.219 557 D HA -0.073 4.567 4.640 -0.000 0.000 0.205 557 D C 0.487 176.775 176.300 -0.021 0.000 0.970 557 D CA 1.340 55.334 54.000 -0.011 0.000 0.851 557 D CB -0.344 40.451 40.800 -0.008 0.000 0.943 557 D HN 0.188 nan 8.370 nan 0.000 0.488 558 D N -1.714 118.671 120.400 -0.026 0.000 2.586 558 D HA 0.160 4.800 4.640 -0.000 0.000 0.254 558 D C -2.073 174.207 176.300 -0.032 0.000 1.248 558 D CA -1.807 52.170 54.000 -0.039 0.000 0.843 558 D CB 1.308 42.072 40.800 -0.060 0.000 1.332 558 D HN -0.212 nan 8.370 nan 0.000 0.523 559 P HA -0.203 nan 4.420 nan 0.000 0.216 559 P C 1.298 178.597 177.300 -0.003 0.000 1.150 559 P CA 1.456 64.549 63.100 -0.011 0.000 0.843 559 P CB 0.157 31.852 31.700 -0.009 0.000 0.787 560 K N -1.048 119.348 120.400 -0.007 0.000 2.209 560 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 560 K C 1.495 178.127 176.600 0.053 0.000 1.048 560 K CA 1.423 57.720 56.287 0.017 0.000 0.940 560 K CB -0.658 31.843 32.500 0.002 0.000 0.729 560 K HN 0.004 nan 8.250 nan 0.000 0.451 561 M N 1.646 121.242 119.600 -0.006 0.000 2.659 561 M HA 0.104 4.584 4.480 -0.000 0.000 0.243 561 M C 0.658 176.991 176.300 0.055 0.000 1.111 561 M CA 0.132 55.421 55.300 -0.019 0.000 1.070 561 M CB -0.702 31.820 32.600 -0.129 0.000 1.525 561 M HN 0.254 nan 8.290 nan 0.000 0.517 562 G N 0.296 109.121 108.800 0.041 0.000 2.255 562 G HA2 0.321 4.281 3.960 -0.000 0.000 0.267 562 G HA3 0.321 4.281 3.960 -0.000 0.000 0.267 562 G C 1.133 176.060 174.900 0.044 0.000 1.177 562 G CA 0.346 45.462 45.100 0.027 0.000 1.027 562 G HN 0.713 nan 8.290 nan 0.000 0.437 563 G N 1.801 110.619 108.800 0.029 0.000 2.175 563 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.265 563 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.265 563 G C 0.500 175.430 174.900 0.052 0.000 0.979 563 G CA 0.656 45.771 45.100 0.024 0.000 0.663 563 G HN 1.038 nan 8.290 nan 0.000 0.533 564 Y N 1.352 121.626 120.300 -0.044 0.000 2.805 564 Y HA 0.312 4.862 4.550 -0.000 0.000 0.337 564 Y C 0.860 176.751 175.900 -0.016 0.000 1.252 564 Y CA 0.941 59.019 58.100 -0.035 0.000 1.515 564 Y CB 0.493 38.925 38.460 -0.048 0.000 1.305 564 Y HN 0.334 nan 8.280 nan 0.000 0.600 565 E N 6.393 126.507 120.200 -0.143 0.000 2.103 565 E HA 0.185 4.535 4.350 -0.000 0.000 0.254 565 E C -1.437 175.215 176.600 0.087 0.000 0.940 565 E CA -0.669 55.730 56.400 -0.002 0.000 0.771 565 E CB 0.704 30.368 29.700 -0.061 0.000 1.153 565 E HN 0.381 nan 8.360 nan 0.000 0.428 566 L N 5.214 126.610 121.223 0.289 0.000 2.278 566 L HA 0.332 4.672 4.340 -0.000 0.000 0.287 566 L C -2.491 174.505 176.870 0.210 0.000 1.072 566 L CA -2.050 52.967 54.840 0.295 0.000 0.819 566 L CB 0.507 42.728 42.059 0.269 0.000 1.176 566 L HN 0.177 nan 8.230 nan 0.000 0.435 567 P HA 0.088 nan 4.420 nan 0.000 0.286 567 P C 0.620 178.107 177.300 0.311 0.000 1.321 567 P CA -0.295 62.931 63.100 0.211 0.000 0.790 567 P CB 1.189 33.002 31.700 0.188 0.000 0.897 568 V N 1.085 121.113 119.914 0.191 0.000 3.052 568 V HA 0.166 4.286 4.120 -0.000 0.000 0.254 568 V C 0.723 176.796 176.094 -0.036 0.000 1.100 568 V CA 0.770 63.107 62.300 0.062 0.000 1.112 568 V CB -0.390 31.266 31.823 -0.278 0.000 0.738 568 V HN 0.546 nan 8.190 nan 0.000 0.469 569 S N 0.826 116.570 115.700 0.074 0.000 2.543 569 S HA 0.771 5.241 4.470 -0.000 0.000 0.273 569 S C -1.002 173.700 174.600 0.170 0.000 1.152 569 S CA -0.530 57.716 58.200 0.077 0.000 0.910 569 S CB 1.456 64.685 63.200 0.049 0.000 1.105 569 S HN 0.830 nan 8.310 nan 0.000 0.465 570 M N 2.356 122.097 119.600 0.234 0.000 2.605 570 M HA 0.722 5.202 4.480 -0.000 0.000 0.281 570 M C -2.284 174.313 176.300 0.495 0.000 1.166 570 M CA -0.641 54.868 55.300 0.349 0.000 0.875 570 M CB 1.852 34.701 32.600 0.415 0.000 1.732 570 M HN 0.549 nan 8.290 nan 0.000 0.504 571 D N 0.707 121.415 120.400 0.513 0.000 2.692 571 D HA 0.654 5.294 4.640 -0.000 0.000 0.290 571 D C -2.040 174.462 176.300 0.337 0.000 1.281 571 D CA -0.334 54.020 54.000 0.590 0.000 0.804 571 D CB 2.865 43.986 40.800 0.535 0.000 1.331 571 D HN 0.854 nan 8.370 nan 0.000 0.432 572 I N 1.094 121.823 120.570 0.264 0.000 2.562 572 I HA 0.631 4.801 4.170 -0.000 0.000 0.301 572 I C -1.333 174.788 176.117 0.006 0.000 1.003 572 I CA -0.898 60.388 61.300 -0.023 0.000 1.127 572 I CB 1.368 39.194 38.000 -0.291 0.000 1.304 572 I HN 0.300 nan 8.210 nan 0.000 0.446 573 F N 6.563 126.367 119.950 -0.243 0.000 2.562 573 F HA 0.492 5.019 4.527 -0.000 0.000 0.319 573 F C -0.398 175.364 175.800 -0.062 0.000 1.154 573 F CA -0.767 57.065 58.000 -0.282 0.000 0.931 573 F CB 1.083 39.553 39.000 -0.885 0.000 1.198 573 F HN 0.356 nan 8.300 nan 0.000 0.444 574 R N 3.739 124.048 120.500 -0.318 0.000 2.288 574 R HA 0.282 4.622 4.340 -0.000 0.000 0.330 574 R C 1.347 177.713 176.300 0.110 0.000 1.069 574 R CA 0.724 56.797 56.100 -0.045 0.000 0.941 574 R CB 0.775 31.156 30.300 0.135 0.000 0.998 574 R HN 0.978 nan 8.270 nan 0.000 0.452 575 G N 4.691 113.666 108.800 0.291 0.000 2.442 575 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.219 575 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.219 575 G C 1.188 176.338 174.900 0.417 0.000 1.141 575 G CA 0.779 46.248 45.100 0.616 0.000 0.763 575 G HN 0.764 nan 8.290 nan 0.000 0.554 576 R N -0.645 119.925 120.500 0.116 0.000 2.341 576 R HA -0.029 4.311 4.340 -0.000 0.000 0.213 576 R C 0.941 177.131 176.300 -0.184 0.000 1.082 576 R CA 1.025 57.099 56.100 -0.043 0.000 1.017 576 R CB -0.497 29.725 30.300 -0.130 0.000 0.860 576 R HN 0.499 nan 8.270 nan 0.000 0.473 577 Y N -0.239 120.201 120.300 0.233 0.000 2.507 577 Y HA 0.284 4.834 4.550 -0.000 0.000 0.254 577 Y C 2.182 178.173 175.900 0.151 0.000 1.171 577 Y CA -0.691 57.521 58.100 0.187 0.000 1.238 577 Y CB 0.207 38.842 38.460 0.292 0.000 1.148 577 Y HN -0.047 nan 8.280 nan 0.000 0.525 578 R N 1.337 122.098 120.500 0.434 0.000 2.133 578 R HA -0.275 4.065 4.340 -0.000 0.000 0.245 578 R C 1.664 177.993 176.300 0.048 0.000 1.137 578 R CA 2.283 58.575 56.100 0.319 0.000 0.947 578 R CB 0.012 30.369 30.300 0.095 0.000 0.865 578 R HN 0.298 nan 8.270 nan 0.000 0.437 579 K N -1.351 119.053 120.400 0.005 0.000 2.098 579 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 579 K C -0.100 176.453 176.600 -0.077 0.000 1.051 579 K CA 0.792 57.051 56.287 -0.046 0.000 0.957 579 K CB 0.288 32.768 32.500 -0.034 0.000 0.738 579 K HN 0.071 nan 8.250 nan 0.000 0.447 580 D N -1.378 118.996 120.400 -0.044 0.000 2.891 580 D HA 0.105 4.745 4.640 -0.000 0.000 0.224 580 D C -0.082 176.292 176.300 0.125 0.000 1.321 580 D CA -0.461 53.521 54.000 -0.031 0.000 0.929 580 D CB 0.804 41.622 40.800 0.031 0.000 1.551 580 D HN -0.207 nan 8.370 nan 0.000 0.574 581 F N 1.895 122.004 119.950 0.265 0.000 2.293 581 F HA 0.037 4.564 4.527 -0.000 0.000 0.300 581 F C 2.360 178.198 175.800 0.063 0.000 1.086 581 F CA 1.036 59.157 58.000 0.201 0.000 1.375 581 F CB -0.486 38.607 39.000 0.154 0.000 1.045 581 F HN 0.489 nan 8.300 nan 0.000 0.516 582 A N -0.376 122.563 122.820 0.197 0.000 1.930 582 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 582 A C 0.981 178.653 177.584 0.146 0.000 1.176 582 A CA 0.682 52.767 52.037 0.080 0.000 0.632 582 A CB -0.276 18.720 19.000 -0.006 0.000 0.819 582 A HN 0.215 nan 8.150 nan 0.000 0.445 583 K N 1.129 121.626 120.400 0.161 0.000 2.530 583 K HA 0.325 4.645 4.320 -0.000 0.000 0.230 583 K C -2.988 173.710 176.600 0.163 0.000 1.002 583 K CA -2.046 54.325 56.287 0.141 0.000 1.014 583 K CB 1.745 34.290 32.500 0.075 0.000 1.286 583 K HN 0.198 nan 8.250 nan 0.000 0.480 584 P HA 0.046 nan 4.420 nan 0.000 0.271 584 P C -0.820 176.534 177.300 0.089 0.000 1.216 584 P CA -0.026 63.142 63.100 0.113 0.000 0.771 584 P CB 1.008 32.723 31.700 0.025 0.000 0.864 585 E N 0.676 120.853 120.200 -0.038 0.000 2.343 585 E HA 0.580 4.930 4.350 -0.000 0.000 0.270 585 E C -0.605 175.696 176.600 -0.499 0.000 0.895 585 E CA -1.218 55.008 56.400 -0.290 0.000 0.767 585 E CB 2.186 31.779 29.700 -0.177 0.000 1.248 585 E HN 0.439 nan 8.360 nan 0.000 0.440 586 A N 2.480 124.685 122.820 -1.024 0.000 2.462 586 A HA 0.273 4.593 4.320 -0.000 0.000 0.243 586 A C -0.098 177.347 177.584 -0.232 0.000 1.076 586 A CA -0.206 51.381 52.037 -0.751 0.000 0.773 586 A CB 0.042 18.551 19.000 -0.818 0.000 1.010 586 A HN 0.542 nan 8.150 nan 0.000 0.493 587 L N 1.886 123.088 121.223 -0.035 0.000 2.380 587 L HA 0.178 4.518 4.340 -0.000 0.000 0.273 587 L C 1.031 177.916 176.870 0.025 0.000 1.138 587 L CA -0.141 54.730 54.840 0.052 0.000 0.832 587 L CB 0.632 42.801 42.059 0.184 0.000 1.124 587 L HN 0.858 nan 8.230 nan 0.000 0.454 588 Q N 5.198 125.008 119.800 0.017 0.000 2.286 588 Q HA 0.184 4.524 4.340 -0.000 0.000 0.267 588 Q C -2.240 173.787 176.000 0.045 0.000 1.028 588 Q CA -1.577 54.232 55.803 0.011 0.000 0.901 588 Q CB 0.881 29.617 28.738 -0.003 0.000 1.183 588 Q HN 0.285 nan 8.270 nan 0.000 0.392 589 P HA -0.128 nan 4.420 nan 0.000 0.265 589 P C -0.674 176.659 177.300 0.055 0.000 1.187 589 P CA 0.511 63.644 63.100 0.055 0.000 0.766 589 P CB 0.409 32.132 31.700 0.039 0.000 0.820 590 D N -1.273 119.169 120.400 0.071 0.000 3.028 590 D HA -0.239 4.401 4.640 -0.000 0.000 0.211 590 D C 0.133 176.469 176.300 0.061 0.000 1.136 590 D CA 1.380 55.419 54.000 0.065 0.000 0.987 590 D CB -0.883 39.944 40.800 0.045 0.000 1.128 590 D HN 0.539 nan 8.370 nan 0.000 0.406 591 A N 0.751 123.610 122.820 0.064 0.000 2.328 591 A HA 0.432 4.752 4.320 -0.000 0.000 0.284 591 A C 0.612 178.235 177.584 0.066 0.000 1.160 591 A CA -0.006 52.059 52.037 0.046 0.000 0.818 591 A CB 0.679 19.697 19.000 0.030 0.000 1.087 591 A HN 0.026 nan 8.150 nan 0.000 0.504 592 T N 4.606 119.181 114.554 0.035 0.000 2.848 592 T HA 0.341 4.691 4.350 -0.000 0.000 0.283 592 T C 0.184 174.920 174.700 0.060 0.000 0.919 592 T CA 0.446 62.573 62.100 0.045 0.000 1.071 592 T CB -0.961 67.877 68.868 -0.049 0.000 0.912 592 T HN 0.411 nan 8.240 nan 0.000 0.570 593 L N 2.441 123.705 121.223 0.069 0.000 2.399 593 L HA 0.430 4.770 4.340 -0.000 0.000 0.265 593 L C 0.832 177.630 176.870 -0.120 0.000 1.089 593 L CA -1.079 53.726 54.840 -0.058 0.000 0.802 593 L CB 0.859 42.803 42.059 -0.191 0.000 1.180 593 L HN 0.571 nan 8.230 nan 0.000 0.454 594 H N 1.339 120.193 119.070 -0.359 0.000 2.552 594 H HA 0.319 4.875 4.556 -0.000 0.000 0.311 594 H C -1.572 173.389 175.328 -0.612 0.000 1.071 594 H CA -0.508 55.255 56.048 -0.476 0.000 1.307 594 H CB 0.736 30.320 29.762 -0.298 0.000 1.416 594 H HN 0.398 nan 8.280 nan 0.000 0.464 595 Y N 3.259 123.149 120.300 -0.682 0.000 2.364 595 Y HA 0.193 4.743 4.550 -0.000 0.000 0.340 595 Y C -0.312 175.166 175.900 -0.704 0.000 0.975 595 Y CA -0.772 56.971 58.100 -0.594 0.000 1.089 595 Y CB 1.417 39.605 38.460 -0.454 0.000 1.192 595 Y HN 0.678 nan 8.280 nan 0.000 0.454 596 H N 4.610 123.377 119.070 -0.506 0.000 2.906 596 H HA 0.555 5.111 4.556 -0.000 0.000 0.324 596 H C -1.547 173.678 175.328 -0.173 0.000 0.973 596 H CA -1.053 54.741 56.048 -0.424 0.000 1.321 596 H CB 0.552 30.094 29.762 -0.366 0.000 1.535 596 H HN 0.512 nan 8.280 nan 0.000 0.518 597 F N 0.949 120.637 119.950 -0.436 0.000 2.693 597 F HA 0.518 5.045 4.527 -0.000 0.000 0.309 597 F C -0.890 174.889 175.800 -0.035 0.000 1.129 597 F CA -1.093 56.794 58.000 -0.189 0.000 0.948 597 F CB 0.744 39.509 39.000 -0.390 0.000 1.315 597 F HN 0.378 nan 8.300 nan 0.000 0.447 598 T N 0.771 115.592 114.554 0.446 0.000 2.913 598 T HA 0.750 5.100 4.350 -0.000 0.000 0.287 598 T C -0.544 174.448 174.700 0.487 0.000 1.008 598 T CA -0.591 61.702 62.100 0.321 0.000 1.067 598 T CB 1.286 70.343 68.868 0.315 0.000 0.996 598 T HN 0.728 nan 8.240 nan 0.000 0.513 599 L N 1.973 123.347 121.223 0.250 0.000 2.319 599 L HA 0.542 4.881 4.340 -0.000 0.000 0.267 599 L C -2.368 174.603 176.870 0.167 0.000 1.011 599 L CA -3.054 51.949 54.840 0.272 0.000 0.818 599 L CB 1.563 43.727 42.059 0.175 0.000 1.316 599 L HN 0.418 nan 8.230 nan 0.000 0.432 600 P HA -0.081 nan 4.420 nan 0.000 0.264 600 P C -0.596 176.706 177.300 0.003 0.000 1.173 600 P CA 0.082 63.218 63.100 0.060 0.000 0.761 600 P CB 0.367 32.093 31.700 0.043 0.000 0.794 601 A N 2.969 125.773 122.820 -0.026 0.000 2.466 601 A HA 0.411 4.731 4.320 -0.000 0.000 0.238 601 A C 0.339 177.888 177.584 -0.058 0.000 1.074 601 A CA 0.098 52.137 52.037 0.004 0.000 0.774 601 A CB -0.244 18.803 19.000 0.078 0.000 1.015 601 A HN 0.468 nan 8.150 nan 0.000 0.498 602 V N -1.028 118.891 119.914 0.009 0.000 3.074 602 V HA 0.875 4.995 4.120 -0.000 0.000 0.314 602 V C -0.389 175.709 176.094 0.006 0.000 1.117 602 V CA -0.694 61.574 62.300 -0.054 0.000 1.014 602 V CB 2.206 34.026 31.823 -0.005 0.000 1.057 602 V HN 0.893 nan 8.190 nan 0.000 0.438 603 N N -0.014 118.642 118.700 -0.072 0.000 2.609 603 N HA 0.275 5.015 4.740 -0.000 0.000 0.251 603 N C -0.938 174.522 175.510 -0.084 0.000 1.526 603 N CA -0.196 52.823 53.050 -0.052 0.000 0.931 603 N CB -0.018 38.372 38.487 -0.162 0.000 1.460 603 N HN 1.082 nan 8.380 nan 0.000 0.526 604 H N -1.081 117.876 119.070 -0.189 0.000 2.760 604 H HA 0.802 5.358 4.556 -0.000 0.000 0.301 604 H C -0.842 174.336 175.328 -0.250 0.000 1.498 604 H CA -0.589 55.291 56.048 -0.280 0.000 1.525 604 H CB 1.396 30.896 29.762 -0.438 0.000 1.771 604 H HN -0.140 nan 8.280 nan 0.000 0.827 605 V N 2.335 121.728 119.914 -0.868 0.000 2.663 605 V HA 0.124 4.244 4.120 -0.000 0.000 0.286 605 V C -1.211 174.512 176.094 -0.618 0.000 1.085 605 V CA -0.589 61.407 62.300 -0.506 0.000 0.916 605 V CB 0.841 32.449 31.823 -0.358 0.000 1.039 605 V HN 0.576 nan 8.190 nan 0.000 0.453 606 F N 4.196 124.093 119.950 -0.089 0.000 2.494 606 F HA 0.564 5.091 4.527 -0.000 0.000 0.351 606 F C 1.211 176.909 175.800 -0.170 0.000 1.205 606 F CA 0.133 58.121 58.000 -0.021 0.000 1.125 606 F CB 0.477 39.560 39.000 0.138 0.000 1.268 606 F HN 0.589 nan 8.300 nan 0.000 0.593 607 A N 3.785 126.376 122.820 -0.382 0.000 2.366 607 A HA 0.183 4.503 4.320 -0.000 0.000 0.250 607 A C 0.516 178.006 177.584 -0.155 0.000 1.099 607 A CA -0.684 51.123 52.037 -0.384 0.000 0.794 607 A CB 0.233 18.878 19.000 -0.591 0.000 1.056 607 A HN 0.689 nan 8.150 nan 0.000 0.499 608 K N -0.451 119.928 120.400 -0.035 0.000 2.451 608 K HA 0.336 4.656 4.320 -0.000 0.000 0.280 608 K C 1.172 177.876 176.600 0.173 0.000 1.020 608 K CA 1.199 57.526 56.287 0.067 0.000 1.008 608 K CB -0.125 32.403 32.500 0.046 0.000 0.917 608 K HN 1.484 nan 8.250 nan 0.000 0.478 609 G N 2.711 111.625 108.800 0.191 0.000 2.234 609 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.235 609 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.235 609 G C 0.125 175.184 174.900 0.265 0.000 0.997 609 G CA 0.022 45.247 45.100 0.209 0.000 0.623 609 G HN 0.791 nan 8.290 nan 0.000 0.514 610 H N 0.279 119.418 119.070 0.115 0.000 2.437 610 H HA 0.709 5.265 4.556 -0.000 0.000 0.338 610 H C 0.477 175.895 175.328 0.149 0.000 1.495 610 H CA -0.227 55.913 56.048 0.153 0.000 1.453 610 H CB 0.726 30.621 29.762 0.222 0.000 1.707 610 H HN 0.292 nan 8.280 nan 0.000 0.655 611 R N 0.263 120.944 120.500 0.302 0.000 2.698 611 R HA 0.394 4.734 4.340 -0.000 0.000 0.275 611 R C -0.995 175.406 176.300 0.169 0.000 1.001 611 R CA -0.686 55.521 56.100 0.179 0.000 0.896 611 R CB 1.884 32.248 30.300 0.108 0.000 1.218 611 R HN 0.402 nan 8.270 nan 0.000 0.462 612 I N 2.771 123.338 120.570 -0.004 0.000 2.365 612 I HA 0.372 4.542 4.170 -0.000 0.000 0.291 612 I C -0.054 176.027 176.117 -0.060 0.000 1.004 612 I CA -0.337 60.855 61.300 -0.179 0.000 1.311 612 I CB 1.278 38.958 38.000 -0.532 0.000 1.401 612 I HN 0.477 nan 8.210 nan 0.000 0.491 613 M N 7.084 126.691 119.600 0.011 0.000 2.393 613 M HA 0.590 5.070 4.480 -0.000 0.000 0.299 613 M C -2.001 174.333 176.300 0.056 0.000 1.103 613 M CA -0.563 54.763 55.300 0.044 0.000 0.910 613 M CB 2.181 34.824 32.600 0.071 0.000 1.659 613 M HN 0.314 nan 8.290 nan 0.000 0.445 614 V N 4.624 124.587 119.914 0.081 0.000 2.409 614 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 614 V C -0.734 175.455 176.094 0.159 0.000 1.020 614 V CA -0.495 61.865 62.300 0.099 0.000 0.848 614 V CB 1.780 33.635 31.823 0.053 0.000 0.990 614 V HN 0.877 nan 8.190 nan 0.000 0.430 615 Q N 4.397 124.262 119.800 0.108 0.000 2.312 615 Q HA 0.698 5.038 4.340 -0.000 0.000 0.263 615 Q C -1.246 174.787 176.000 0.055 0.000 0.995 615 Q CA -0.542 55.302 55.803 0.069 0.000 0.853 615 Q CB 2.774 31.531 28.738 0.032 0.000 1.300 615 Q HN 0.644 nan 8.270 nan 0.000 0.448 616 I N 2.687 123.271 120.570 0.023 0.000 2.498 616 I HA 0.368 4.538 4.170 -0.000 0.000 0.290 616 I C -0.380 175.616 176.117 -0.200 0.000 1.032 616 I CA -0.705 60.608 61.300 0.022 0.000 1.073 616 I CB 1.795 39.912 38.000 0.195 0.000 1.251 616 I HN 0.665 nan 8.210 nan 0.000 0.426 617 Q N 2.922 122.643 119.800 -0.132 0.000 2.693 617 Q HA 0.574 4.914 4.340 -0.000 0.000 0.306 617 Q C -1.011 175.005 176.000 0.026 0.000 0.969 617 Q CA -0.949 54.732 55.803 -0.204 0.000 0.757 617 Q CB 2.111 30.729 28.738 -0.200 0.000 1.494 617 Q HN 0.422 nan 8.270 nan 0.000 0.459 618 S N 0.114 115.855 115.700 0.067 0.000 2.754 618 S HA 0.311 4.781 4.470 -0.000 0.000 0.247 618 S C -0.782 173.792 174.600 -0.043 0.000 1.031 618 S CA 0.185 58.361 58.200 -0.039 0.000 1.014 618 S CB 0.387 63.541 63.200 -0.077 0.000 0.918 618 S HN 0.610 nan 8.310 nan 0.000 0.519 619 S N -0.231 115.469 115.700 -0.001 0.000 2.565 619 S HA 0.716 5.186 4.470 -0.000 0.000 0.269 619 S C -2.167 172.583 174.600 0.250 0.000 1.153 619 S CA -0.684 57.587 58.200 0.117 0.000 0.835 619 S CB 1.278 64.555 63.200 0.130 0.000 1.122 619 S HN 0.232 nan 8.310 nan 0.000 0.462 620 W N 1.950 123.389 121.300 0.231 0.000 1.752 620 W HA 0.482 5.142 4.660 -0.000 0.000 0.308 620 W C -1.796 174.872 176.519 0.249 0.000 0.978 620 W CA -1.780 55.730 57.345 0.274 0.000 1.401 620 W CB 0.681 30.335 29.460 0.323 0.000 1.522 620 W HN 0.659 nan 8.180 nan 0.000 0.359 621 F N 4.321 124.444 119.950 0.289 0.000 2.379 621 F HA 0.498 5.025 4.527 -0.000 0.000 0.332 621 F C -1.149 174.799 175.800 0.246 0.000 1.096 621 F CA -2.336 55.723 58.000 0.099 0.000 1.105 621 F CB 1.256 40.220 39.000 -0.060 0.000 1.189 621 F HN -0.077 nan 8.300 nan 0.000 0.515 622 P HA 0.040 nan 4.420 nan 0.000 0.259 622 P C 1.075 177.799 177.300 -0.960 0.000 1.530 622 P CA 0.168 62.502 63.100 -1.277 0.000 1.022 622 P CB 0.280 31.298 31.700 -1.137 0.000 1.514 623 L N 0.259 120.908 121.223 -0.957 0.000 1.961 623 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 623 L C 0.346 176.643 176.870 -0.956 0.000 1.072 623 L CA 1.780 55.907 54.840 -1.188 0.000 0.749 623 L CB -1.459 39.352 42.059 -2.079 0.000 0.889 623 L HN -0.111 nan 8.230 nan 0.000 0.432 624 Y N 1.274 121.313 120.300 -0.435 0.000 2.313 624 Y HA 0.272 4.822 4.550 -0.000 0.000 0.332 624 Y C 0.294 176.186 175.900 -0.015 0.000 1.071 624 Y CA -1.627 56.351 58.100 -0.204 0.000 1.169 624 Y CB 0.128 38.587 38.460 -0.003 0.000 1.192 624 Y HN 0.306 nan 8.280 nan 0.000 0.487 625 D N 2.900 123.429 120.400 0.215 0.000 2.423 625 D HA -0.006 4.634 4.640 -0.000 0.000 0.238 625 D C -0.365 176.180 176.300 0.408 0.000 1.142 625 D CA -0.364 53.863 54.000 0.379 0.000 0.884 625 D CB 0.724 41.820 40.800 0.495 0.000 1.199 625 D HN 0.509 nan 8.370 nan 0.000 0.438 626 R N 1.572 122.336 120.500 0.441 0.000 2.449 626 R HA 0.043 4.383 4.340 -0.000 0.000 0.296 626 R C 0.598 177.064 176.300 0.278 0.000 1.047 626 R CA -0.330 55.935 56.100 0.275 0.000 1.018 626 R CB 0.187 30.546 30.300 0.098 0.000 0.962 626 R HN 0.436 nan 8.270 nan 0.000 0.428 627 N N 4.160 122.951 118.700 0.152 0.000 2.458 627 N HA 0.061 4.801 4.740 -0.000 0.000 0.270 627 N C -1.953 173.589 175.510 0.053 0.000 1.102 627 N CA -1.833 51.252 53.050 0.059 0.000 0.967 627 N CB 1.424 39.898 38.487 -0.022 0.000 1.078 627 N HN 0.266 nan 8.380 nan 0.000 0.471 628 P HA -0.033 nan 4.420 nan 0.000 0.230 628 P C -0.183 177.074 177.300 -0.072 0.000 1.158 628 P CA 0.789 63.773 63.100 -0.193 0.000 0.769 628 P CB 0.198 31.579 31.700 -0.532 0.000 0.807 629 Q N -3.234 116.535 119.800 -0.053 0.000 2.305 629 Q HA -0.224 4.116 4.340 -0.000 0.000 0.203 629 Q C 0.355 176.353 176.000 -0.003 0.000 0.663 629 Q CA 1.017 56.802 55.803 -0.029 0.000 1.389 629 Q CB -1.488 27.238 28.738 -0.020 0.000 1.566 629 Q HN 0.300 nan 8.270 nan 0.000 0.755 630 K N 0.708 121.090 120.400 -0.029 0.000 2.413 630 K HA 0.330 4.650 4.320 -0.000 0.000 0.257 630 K C -1.086 175.520 176.600 0.010 0.000 0.946 630 K CA -0.688 55.601 56.287 0.003 0.000 0.823 630 K CB 0.796 33.276 32.500 -0.033 0.000 1.109 630 K HN -0.011 nan 8.250 nan 0.000 0.427 631 F N 5.334 125.251 119.950 -0.055 0.000 2.590 631 F HA 0.047 4.574 4.527 -0.000 0.000 0.389 631 F C -0.195 175.566 175.800 -0.065 0.000 1.049 631 F CA 0.291 58.254 58.000 -0.062 0.000 1.199 631 F CB 0.376 39.349 39.000 -0.045 0.000 1.058 631 F HN 0.190 nan 8.300 nan 0.000 0.556 632 V N 4.621 124.101 119.914 -0.723 0.000 3.001 632 V HA 0.488 4.608 4.120 -0.000 0.000 0.314 632 V C -2.226 173.400 176.094 -0.781 0.000 1.099 632 V CA -1.926 60.057 62.300 -0.529 0.000 0.989 632 V CB 1.464 33.096 31.823 -0.319 0.000 1.040 632 V HN 0.504 nan 8.190 nan 0.000 0.434 633 P HA -0.073 nan 4.420 nan 0.000 0.216 633 P C 0.170 177.301 177.300 -0.282 0.000 1.153 633 P CA 1.537 64.463 63.100 -0.289 0.000 0.858 633 P CB 0.125 31.754 31.700 -0.117 0.000 0.789 634 N N -1.382 117.173 118.700 -0.242 0.000 2.478 634 N HA 0.138 4.878 4.740 -0.000 0.000 0.291 634 N C 0.610 176.017 175.510 -0.172 0.000 1.090 634 N CA -0.408 52.523 53.050 -0.198 0.000 0.911 634 N CB 1.007 39.411 38.487 -0.139 0.000 1.546 634 N HN -0.269 nan 8.380 nan 0.000 0.500 635 I N 2.154 122.595 120.570 -0.215 0.000 2.394 635 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 635 I C 1.629 177.768 176.117 0.037 0.000 1.136 635 I CA 0.894 62.111 61.300 -0.138 0.000 1.425 635 I CB -0.348 37.562 38.000 -0.150 0.000 1.079 635 I HN 0.485 nan 8.210 nan 0.000 0.425 636 F N 1.590 121.569 119.950 0.048 0.000 2.250 636 F HA -0.235 4.292 4.527 -0.000 0.000 0.301 636 F C 1.560 177.470 175.800 0.185 0.000 1.077 636 F CA 0.787 58.867 58.000 0.134 0.000 1.348 636 F CB -0.047 38.974 39.000 0.035 0.000 1.040 636 F HN 0.156 nan 8.300 nan 0.000 0.509 637 D N 0.183 120.746 120.400 0.272 0.000 2.402 637 D HA 0.177 4.817 4.640 -0.000 0.000 0.216 637 D C 0.555 176.930 176.300 0.126 0.000 1.128 637 D CA 0.101 54.232 54.000 0.218 0.000 0.833 637 D CB -0.105 40.800 40.800 0.175 0.000 0.971 637 D HN 0.000 nan 8.370 nan 0.000 0.503 638 A N 1.075 123.950 122.820 0.091 0.000 2.584 638 A HA -0.021 4.299 4.320 -0.000 0.000 0.239 638 A C 0.691 178.320 177.584 0.075 0.000 1.043 638 A CA 0.441 52.461 52.037 -0.029 0.000 0.756 638 A CB 0.212 19.085 19.000 -0.212 0.000 0.963 638 A HN 0.008 nan 8.150 nan 0.000 0.511 639 K N 2.968 123.379 120.400 0.019 0.000 2.098 639 K HA 0.312 4.632 4.320 -0.000 0.000 0.257 639 K C -1.739 174.968 176.600 0.177 0.000 0.999 639 K CA -1.652 54.690 56.287 0.092 0.000 0.924 639 K CB 0.603 33.131 32.500 0.046 0.000 1.028 639 K HN 0.346 nan 8.250 nan 0.000 0.466 640 P HA -0.196 nan 4.420 nan 0.000 0.216 640 P C 0.507 177.952 177.300 0.240 0.000 1.150 640 P CA 1.206 64.460 63.100 0.258 0.000 0.837 640 P CB 0.167 31.946 31.700 0.132 0.000 0.786 641 A N -0.546 122.352 122.820 0.130 0.000 2.067 641 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 641 A C 1.853 179.471 177.584 0.056 0.000 1.156 641 A CA 1.298 53.388 52.037 0.087 0.000 0.683 641 A CB -1.096 17.935 19.000 0.052 0.000 0.808 641 A HN 0.052 nan 8.150 nan 0.000 0.455 642 D N -0.872 119.525 120.400 -0.006 0.000 2.218 642 D HA -0.096 4.544 4.640 -0.000 0.000 0.204 642 D C -0.286 175.902 176.300 -0.186 0.000 0.976 642 D CA 0.806 54.722 54.000 -0.139 0.000 0.853 642 D CB -0.299 40.338 40.800 -0.271 0.000 0.939 642 D HN 0.550 nan 8.370 nan 0.000 0.481 643 Y N 1.153 121.455 120.300 0.002 0.000 2.637 643 Y HA 0.135 4.685 4.550 -0.000 0.000 0.350 643 Y C 0.698 176.594 175.900 -0.006 0.000 1.069 643 Y CA -0.002 58.093 58.100 -0.009 0.000 1.397 643 Y CB 0.100 38.548 38.460 -0.021 0.000 1.163 643 Y HN -0.301 nan 8.280 nan 0.000 0.527 644 T N 1.903 116.513 114.554 0.093 0.000 2.829 644 T HA 0.480 4.830 4.350 -0.000 0.000 0.280 644 T C -0.202 174.535 174.700 0.061 0.000 0.999 644 T CA -0.939 61.200 62.100 0.065 0.000 0.983 644 T CB 1.562 70.451 68.868 0.035 0.000 0.968 644 T HN 0.201 nan 8.240 nan 0.000 0.446 645 V N 2.254 122.203 119.914 0.058 0.000 2.637 645 V HA 0.563 4.683 4.120 -0.000 0.000 0.296 645 V C 0.543 176.661 176.094 0.040 0.000 1.046 645 V CA -0.087 62.246 62.300 0.054 0.000 1.066 645 V CB 0.506 32.365 31.823 0.060 0.000 0.968 645 V HN 1.191 nan 8.190 nan 0.000 0.483 646 A N 3.804 126.642 122.820 0.029 0.000 2.469 646 A HA 0.794 5.114 4.320 -0.000 0.000 0.299 646 A C -0.284 177.298 177.584 -0.002 0.000 1.098 646 A CA -0.582 51.463 52.037 0.014 0.000 0.737 646 A CB 1.890 20.890 19.000 0.001 0.000 1.312 646 A HN 0.629 nan 8.150 nan 0.000 0.414 647 T N 2.693 117.245 114.554 -0.004 0.000 2.770 647 T HA 0.434 4.784 4.350 -0.000 0.000 0.297 647 T C -0.633 174.031 174.700 -0.061 0.000 0.997 647 T CA -0.301 61.782 62.100 -0.028 0.000 0.949 647 T CB 0.535 69.407 68.868 0.007 0.000 0.941 647 T HN 0.561 nan 8.240 nan 0.000 0.457 648 Q N 2.150 121.813 119.800 -0.228 0.000 2.230 648 Q HA 0.604 4.944 4.340 -0.000 0.000 0.253 648 Q C -0.675 175.190 176.000 -0.226 0.000 0.919 648 Q CA -0.690 54.960 55.803 -0.255 0.000 0.908 648 Q CB 1.778 30.119 28.738 -0.660 0.000 1.245 648 Q HN 0.647 nan 8.270 nan 0.000 0.437 649 S N 2.127 117.841 115.700 0.024 0.000 2.672 649 S HA 0.504 4.974 4.470 -0.000 0.000 0.291 649 S C -0.158 174.529 174.600 0.146 0.000 1.145 649 S CA -0.819 57.437 58.200 0.092 0.000 1.013 649 S CB 0.960 64.215 63.200 0.091 0.000 1.017 649 S HN 0.417 nan 8.310 nan 0.000 0.487 650 I N 3.331 124.039 120.570 0.230 0.000 2.291 650 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 650 I C 0.500 176.750 176.117 0.221 0.000 1.050 650 I CA -0.233 61.202 61.300 0.225 0.000 1.245 650 I CB -0.247 37.949 38.000 0.326 0.000 1.405 650 I HN 0.847 nan 8.210 nan 0.000 0.478 651 H N 7.436 126.554 119.070 0.080 0.000 2.722 651 H HA 0.285 4.841 4.556 -0.000 0.000 0.328 651 H C -0.220 175.106 175.328 -0.004 0.000 1.067 651 H CA -0.003 56.033 56.048 -0.020 0.000 1.447 651 H CB 0.543 30.280 29.762 -0.041 0.000 1.469 651 H HN 0.646 nan 8.280 nan 0.000 0.544 652 H N 2.746 121.594 119.070 -0.370 0.000 2.747 652 H HA 0.547 5.103 4.556 -0.000 0.000 0.371 652 H C 0.217 175.332 175.328 -0.355 0.000 1.161 652 H CA -0.769 55.129 56.048 -0.250 0.000 1.167 652 H CB 1.305 30.920 29.762 -0.244 0.000 1.732 652 H HN 1.052 nan 8.280 nan 0.000 0.544 653 G N 0.107 108.843 108.800 -0.105 0.000 2.860 653 G HA2 0.243 4.203 3.960 -0.000 0.000 0.553 653 G HA3 0.243 4.203 3.960 -0.000 0.000 0.553 653 G C 0.428 175.262 174.900 -0.109 0.000 1.439 653 G CA 0.621 45.601 45.100 -0.200 0.000 0.879 653 G HN 1.959 nan 8.290 nan 0.000 0.545 654 G N -0.369 108.447 108.800 0.027 0.000 2.569 654 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.259 654 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.259 654 G C 0.959 175.893 174.900 0.058 0.000 1.263 654 G CA 0.967 46.123 45.100 0.093 0.000 0.928 654 G HN 1.535 nan 8.290 nan 0.000 0.572 655 K N 0.890 121.251 120.400 -0.064 0.000 2.283 655 K HA 0.042 4.362 4.320 -0.000 0.000 0.202 655 K C 1.171 177.525 176.600 -0.410 0.000 1.048 655 K CA 1.626 57.818 56.287 -0.157 0.000 0.948 655 K CB -0.046 32.358 32.500 -0.160 0.000 0.742 655 K HN 0.550 nan 8.250 nan 0.000 0.458 656 E N 0.369 120.199 120.200 -0.617 0.000 3.269 656 E HA 0.199 4.549 4.350 -0.000 0.000 0.221 656 E C -1.221 174.761 176.600 -1.029 0.000 1.113 656 E CA -0.421 55.038 56.400 -1.569 0.000 1.385 656 E CB 1.281 30.193 29.700 -1.313 0.000 1.345 656 E HN 0.116 nan 8.360 nan 0.000 0.435 657 A N 1.503 124.029 122.820 -0.490 0.000 2.457 657 A HA 0.158 4.478 4.320 -0.000 0.000 0.298 657 A C 0.495 178.297 177.584 0.364 0.000 1.288 657 A CA -0.159 51.858 52.037 -0.034 0.000 0.956 657 A CB -0.079 18.790 19.000 -0.219 0.000 1.135 657 A HN 0.138 nan 8.150 nan 0.000 0.535 658 T N 2.877 117.678 114.554 0.411 0.000 2.928 658 T HA 0.416 4.766 4.350 -0.000 0.000 0.305 658 T C 0.563 175.327 174.700 0.107 0.000 1.035 658 T CA 1.029 63.339 62.100 0.350 0.000 1.145 658 T CB 0.017 68.999 68.868 0.190 0.000 0.963 658 T HN 1.089 nan 8.240 nan 0.000 0.545 659 S N 2.442 118.135 115.700 -0.012 0.000 2.588 659 S HA 0.614 5.084 4.470 -0.000 0.000 0.269 659 S C -1.384 173.081 174.600 -0.226 0.000 1.157 659 S CA -1.112 56.971 58.200 -0.194 0.000 0.824 659 S CB 1.162 64.115 63.200 -0.412 0.000 1.126 659 S HN 0.426 nan 8.310 nan 0.000 0.464 660 I N 2.053 122.468 120.570 -0.258 0.000 2.330 660 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 660 I C -0.384 175.608 176.117 -0.208 0.000 1.001 660 I CA -0.747 60.420 61.300 -0.221 0.000 1.193 660 I CB 1.095 38.989 38.000 -0.177 0.000 1.345 660 I HN 0.679 nan 8.210 nan 0.000 0.461 661 L N 7.098 128.209 121.223 -0.187 0.000 2.448 661 L HA 0.206 4.546 4.340 -0.000 0.000 0.278 661 L C 0.357 177.177 176.870 -0.084 0.000 1.201 661 L CA -0.079 54.682 54.840 -0.132 0.000 1.036 661 L CB -0.400 41.591 42.059 -0.113 0.000 1.325 661 L HN 0.338 nan 8.230 nan 0.000 0.441 662 L N 5.290 126.485 121.223 -0.045 0.000 2.410 662 L HA 0.192 4.532 4.340 -0.000 0.000 0.273 662 L C -1.805 175.079 176.870 0.022 0.000 1.152 662 L CA -1.597 53.254 54.840 0.018 0.000 0.855 662 L CB 0.949 43.060 42.059 0.088 0.000 1.129 662 L HN 0.279 nan 8.230 nan 0.000 0.463 663 P HA 0.112 nan 4.420 nan 0.000 0.238 663 P C -0.460 176.847 177.300 0.013 0.000 1.794 663 P CA -0.157 62.931 63.100 -0.019 0.000 1.088 663 P CB 0.262 31.933 31.700 -0.049 0.000 1.923 664 V N 3.708 123.633 119.914 0.017 0.000 2.583 664 V HA 0.270 4.390 4.120 -0.000 0.000 0.287 664 V C 0.941 177.024 176.094 -0.019 0.000 1.051 664 V CA -0.118 62.194 62.300 0.019 0.000 1.010 664 V CB 1.392 33.212 31.823 -0.006 0.000 0.988 664 V HN 0.237 nan 8.190 nan 0.000 0.478 665 V N 2.418 122.326 119.914 -0.009 0.000 3.156 665 V HA 0.685 4.805 4.120 -0.000 0.000 0.311 665 V C -0.408 175.677 176.094 -0.015 0.000 1.208 665 V CA -1.297 60.990 62.300 -0.021 0.000 1.063 665 V CB 1.812 33.622 31.823 -0.020 0.000 1.098 665 V HN 0.711 nan 8.190 nan 0.000 0.452 666 K N 0.000 120.394 120.400 -0.010 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 666 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 666 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543