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 1h0g_1_B DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRTK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.706 174.700 0.010 0.000 1.109 3 T CA 0.000 62.112 62.100 0.020 0.000 1.349 3 T CB 0.000 68.883 68.868 0.026 0.000 0.612 4 R N 2.989 123.500 120.500 0.018 0.000 2.570 4 R HA 0.239 4.579 4.340 0.001 0.000 0.277 4 R C 0.054 176.325 176.300 -0.048 0.000 1.039 4 R CA -0.321 55.780 56.100 0.003 0.000 1.065 4 R CB 0.417 30.737 30.300 0.033 0.000 0.964 4 R HN 0.401 nan 8.270 nan 0.000 0.428 5 K N 2.333 122.632 120.400 -0.169 0.000 2.326 5 K HA 0.134 4.455 4.320 0.001 0.000 0.275 5 K C -0.260 176.216 176.600 -0.207 0.000 1.018 5 K CA -0.036 56.041 56.287 -0.350 0.000 0.962 5 K CB 1.331 33.224 32.500 -1.010 0.000 0.953 5 K HN 0.704 nan 8.250 nan 0.000 0.475 6 A N 1.940 124.636 122.820 -0.208 0.000 2.371 6 A HA 0.373 4.693 4.320 0.001 0.000 0.257 6 A C -0.361 177.176 177.584 -0.078 0.000 1.089 6 A CA -0.492 51.454 52.037 -0.151 0.000 0.794 6 A CB 0.486 19.186 19.000 -0.500 0.000 1.029 6 A HN 0.353 nan 8.150 nan 0.000 0.488 7 V N 4.171 124.118 119.914 0.054 0.000 2.398 7 V HA 0.269 4.389 4.120 0.001 0.000 0.282 7 V C -0.612 175.517 176.094 0.058 0.000 1.014 7 V CA 0.054 62.440 62.300 0.143 0.000 0.838 7 V CB 0.749 32.725 31.823 0.255 0.000 1.018 7 V HN 0.706 nan 8.190 nan 0.000 0.432 8 I N 4.126 124.635 120.570 -0.102 0.000 2.328 8 I HA 0.613 4.783 4.170 0.001 0.000 0.287 8 I C 0.826 176.572 176.117 -0.618 0.000 1.012 8 I CA -0.240 60.906 61.300 -0.258 0.000 1.195 8 I CB 1.656 39.459 38.000 -0.327 0.000 1.350 8 I HN 0.637 nan 8.210 nan 0.000 0.464 9 G N 5.366 113.738 108.800 -0.713 0.000 2.368 9 G HA2 0.481 4.441 3.960 0.001 0.000 0.320 9 G HA3 0.481 4.441 3.960 0.001 0.000 0.320 9 G C -1.195 173.381 174.900 -0.541 0.000 1.158 9 G CA -0.333 44.001 45.100 -1.277 0.000 0.912 9 G HN 0.355 nan 8.290 nan 0.000 0.456 10 Y N 1.019 121.038 120.300 -0.467 0.000 2.359 10 Y HA 0.260 4.810 4.550 0.001 0.000 0.330 10 Y C -0.279 175.512 175.900 -0.182 0.000 1.143 10 Y CA 0.264 58.229 58.100 -0.226 0.000 1.318 10 Y CB 1.240 39.600 38.460 -0.166 0.000 1.234 10 Y HN 0.522 nan 8.280 nan 0.000 0.522 11 Y N 6.207 126.438 120.300 -0.114 0.000 2.464 11 Y HA 0.322 4.872 4.550 0.001 0.000 0.326 11 Y C -1.615 174.103 175.900 -0.304 0.000 0.969 11 Y CA -1.737 56.301 58.100 -0.103 0.000 1.270 11 Y CB 0.091 38.587 38.460 0.059 0.000 1.103 11 Y HN 0.505 nan 8.280 nan 0.000 0.491 12 F N 8.061 127.390 119.950 -1.036 0.000 2.410 12 F HA 0.633 5.160 4.527 0.001 0.000 0.349 12 F C -1.294 174.004 175.800 -0.837 0.000 1.117 12 F CA -1.359 56.038 58.000 -1.006 0.000 1.104 12 F CB 0.620 38.871 39.000 -1.250 0.000 1.122 12 F HN 0.436 nan 8.300 nan 0.000 0.483 13 I N 8.656 128.350 120.570 -1.460 0.000 2.548 13 I HA 0.422 4.593 4.170 0.001 0.000 0.287 13 I C -2.718 172.865 176.117 -0.890 0.000 1.103 13 I CA -2.498 58.200 61.300 -1.003 0.000 1.049 13 I CB 2.168 39.934 38.000 -0.388 0.000 1.232 13 I HN 0.418 nan 8.210 nan 0.000 0.429 14 P HA 0.178 nan 4.420 nan 0.000 0.269 14 P C 0.556 177.815 177.300 -0.068 0.000 1.209 14 P CA -0.111 62.802 63.100 -0.312 0.000 0.776 14 P CB 0.667 32.270 31.700 -0.162 0.000 0.876 15 T N 0.343 114.933 114.554 0.059 0.000 2.760 15 T HA -0.229 4.121 4.350 0.001 0.000 0.269 15 T C 1.614 176.371 174.700 0.095 0.000 1.047 15 T CA 1.577 63.760 62.100 0.138 0.000 1.139 15 T CB -0.696 68.281 68.868 0.181 0.000 0.855 15 T HN 0.585 nan 8.240 nan 0.000 0.471 16 N N 0.554 119.289 118.700 0.059 0.000 2.142 16 N HA -0.130 4.610 4.740 0.001 0.000 0.186 16 N C 1.956 177.502 175.510 0.060 0.000 1.023 16 N CA 1.027 54.109 53.050 0.053 0.000 0.852 16 N CB -0.010 38.497 38.487 0.033 0.000 0.998 16 N HN 0.529 nan 8.380 nan 0.000 0.424 17 Q N 0.226 120.055 119.800 0.049 0.000 2.230 17 Q HA -0.005 4.335 4.340 0.001 0.000 0.202 17 Q C 2.151 178.261 176.000 0.183 0.000 0.963 17 Q CA 0.688 56.543 55.803 0.087 0.000 0.866 17 Q CB 0.193 28.961 28.738 0.049 0.000 0.931 17 Q HN 0.490 nan 8.270 nan 0.000 0.452 18 I N 1.156 121.823 120.570 0.161 0.000 2.202 18 I HA -0.261 3.909 4.170 0.001 0.000 0.242 18 I C 1.553 177.762 176.117 0.153 0.000 1.091 18 I CA 0.805 62.217 61.300 0.187 0.000 1.368 18 I CB -0.261 37.845 38.000 0.177 0.000 1.058 18 I HN 0.206 nan 8.210 nan 0.000 0.410 19 N N 1.030 119.797 118.700 0.112 0.000 2.364 19 N HA -0.116 4.624 4.740 0.001 0.000 0.183 19 N C 0.766 176.329 175.510 0.089 0.000 1.022 19 N CA 0.997 54.096 53.050 0.083 0.000 0.883 19 N CB -0.315 38.212 38.487 0.066 0.000 0.965 19 N HN 0.421 nan 8.380 nan 0.000 0.438 20 N N -0.218 118.545 118.700 0.105 0.000 2.338 20 N HA -0.026 4.715 4.740 0.001 0.000 0.251 20 N C -0.625 174.946 175.510 0.102 0.000 1.199 20 N CA -0.285 52.814 53.050 0.082 0.000 0.879 20 N CB 0.330 38.846 38.487 0.049 0.000 1.159 20 N HN 0.186 nan 8.380 nan 0.000 0.514 21 Y N 2.240 122.560 120.300 0.035 0.000 2.895 21 Y HA -0.057 4.494 4.550 0.001 0.000 0.334 21 Y C 0.614 176.534 175.900 0.032 0.000 1.261 21 Y CA 0.973 59.100 58.100 0.045 0.000 1.560 21 Y CB 0.413 38.908 38.460 0.060 0.000 1.253 21 Y HN -0.100 nan 8.280 nan 0.000 0.582 22 T N 5.158 119.338 114.554 -0.623 0.000 2.932 22 T HA 0.302 4.653 4.350 0.001 0.000 0.318 22 T C -0.468 173.890 174.700 -0.571 0.000 1.265 22 T CA -0.720 61.129 62.100 -0.418 0.000 1.036 22 T CB 1.123 69.878 68.868 -0.188 0.000 1.209 22 T HN 0.739 nan 8.240 nan 0.000 0.484 23 E N 1.786 121.784 120.200 -0.336 0.000 2.558 23 E HA 0.148 4.498 4.350 0.001 0.000 0.205 23 E C 0.483 176.998 176.600 -0.141 0.000 1.006 23 E CA 0.014 56.270 56.400 -0.241 0.000 0.961 23 E CB 0.650 30.276 29.700 -0.123 0.000 1.044 23 E HN 0.709 nan 8.360 nan 0.000 0.465 24 T N -2.092 112.386 114.554 -0.126 0.000 3.393 24 T HA 0.152 4.503 4.350 0.001 0.000 0.298 24 T C -0.227 174.431 174.700 -0.071 0.000 1.004 24 T CA -0.513 61.539 62.100 -0.081 0.000 0.956 24 T CB 0.303 69.136 68.868 -0.059 0.000 1.182 24 T HN -0.155 nan 8.240 nan 0.000 0.497 25 D N 0.333 120.683 120.400 -0.084 0.000 2.445 25 D HA 0.231 4.871 4.640 0.001 0.000 0.236 25 D C 0.861 177.128 176.300 -0.055 0.000 1.315 25 D CA -0.224 53.739 54.000 -0.061 0.000 0.924 25 D CB 1.407 42.173 40.800 -0.057 0.000 1.447 25 D HN -0.029 nan 8.370 nan 0.000 0.532 26 T N 0.023 114.553 114.554 -0.039 0.000 2.869 26 T HA -0.147 4.203 4.350 0.001 0.000 0.270 26 T C 1.714 176.406 174.700 -0.013 0.000 1.082 26 T CA 1.581 63.669 62.100 -0.020 0.000 1.123 26 T CB 0.176 69.039 68.868 -0.008 0.000 0.856 26 T HN 0.251 nan 8.240 nan 0.000 0.499 27 S N -0.339 115.350 115.700 -0.019 0.000 2.406 27 S HA -0.031 4.439 4.470 0.001 0.000 0.228 27 S C 1.934 176.526 174.600 -0.014 0.000 1.020 27 S CA 0.669 58.860 58.200 -0.015 0.000 0.965 27 S CB -0.071 63.120 63.200 -0.015 0.000 0.798 27 S HN 0.345 nan 8.310 nan 0.000 0.488 28 V N 0.165 120.066 119.914 -0.022 0.000 2.492 28 V HA 0.252 4.373 4.120 0.001 0.000 0.241 28 V C 0.379 176.464 176.094 -0.015 0.000 1.041 28 V CA 0.582 62.870 62.300 -0.019 0.000 1.057 28 V CB 0.348 32.153 31.823 -0.031 0.000 0.711 28 V HN 0.255 nan 8.190 nan 0.000 0.468 29 V N 1.649 121.542 119.914 -0.034 0.000 2.340 29 V HA 0.294 4.415 4.120 0.001 0.000 0.277 29 V C -1.842 174.264 176.094 0.020 0.000 1.017 29 V CA -0.962 61.332 62.300 -0.010 0.000 0.820 29 V CB 1.345 33.114 31.823 -0.091 0.000 1.028 29 V HN 0.286 nan 8.190 nan 0.000 0.436 30 P HA -0.120 nan 4.420 nan 0.000 0.217 30 P C 0.227 177.653 177.300 0.210 0.000 1.148 30 P CA 1.419 64.583 63.100 0.106 0.000 0.828 30 P CB 0.161 31.923 31.700 0.103 0.000 0.783 31 F N 0.235 120.230 119.950 0.074 0.000 2.769 31 F HA 0.372 4.899 4.527 0.000 0.000 0.358 31 F C -2.579 173.373 175.800 0.254 0.000 1.285 31 F CA -2.811 55.276 58.000 0.145 0.000 1.199 31 F CB 0.900 40.002 39.000 0.170 0.000 1.558 31 F HN -0.199 nan 8.300 nan 0.000 0.583 32 P HA 0.028 nan 4.420 nan 0.000 0.272 32 P C 1.056 178.431 177.300 0.125 0.000 1.230 32 P CA 0.008 63.204 63.100 0.160 0.000 0.788 32 P CB 1.863 33.505 31.700 -0.096 0.000 0.949 33 V N 1.568 121.661 119.914 0.299 0.000 2.453 33 V HA -0.259 3.862 4.120 0.001 0.000 0.252 33 V C 2.657 178.742 176.094 -0.014 0.000 1.068 33 V CA 2.717 65.052 62.300 0.058 0.000 1.070 33 V CB -1.812 30.018 31.823 0.011 0.000 0.664 33 V HN 0.764 nan 8.190 nan 0.000 0.461 34 S N 0.190 115.893 115.700 0.005 0.000 2.493 34 S HA -0.240 4.231 4.470 0.001 0.000 0.243 34 S C 1.527 176.058 174.600 -0.115 0.000 0.991 34 S CA 1.753 59.928 58.200 -0.040 0.000 0.957 34 S CB -1.012 62.171 63.200 -0.027 0.000 0.756 34 S HN 0.775 nan 8.310 nan 0.000 0.521 35 N N 0.817 119.367 118.700 -0.250 0.000 2.459 35 N HA 0.123 4.863 4.740 0.001 0.000 0.181 35 N C -0.106 175.326 175.510 -0.130 0.000 1.046 35 N CA 0.605 53.453 53.050 -0.338 0.000 0.904 35 N CB -0.117 37.785 38.487 -0.973 0.000 0.964 35 N HN 0.493 nan 8.380 nan 0.000 0.444 36 I N 2.501 123.039 120.570 -0.053 0.000 2.256 36 I HA 0.020 4.190 4.170 0.001 0.000 0.294 36 I C 0.813 176.928 176.117 -0.003 0.000 1.127 36 I CA -0.416 60.913 61.300 0.047 0.000 1.247 36 I CB 0.214 38.270 38.000 0.092 0.000 1.460 36 I HN 0.018 nan 8.210 nan 0.000 0.511 37 T N 2.869 117.412 114.554 -0.019 0.000 2.766 37 T HA 0.201 4.551 4.350 0.001 0.000 0.295 37 T C -1.715 172.908 174.700 -0.128 0.000 1.024 37 T CA -1.441 60.611 62.100 -0.079 0.000 1.018 37 T CB 0.868 69.699 68.868 -0.061 0.000 1.002 37 T HN 0.213 nan 8.240 nan 0.000 0.532 38 P HA -0.022 nan 4.420 nan 0.000 0.218 38 P C 1.592 178.816 177.300 -0.128 0.000 1.148 38 P CA 1.405 64.248 63.100 -0.428 0.000 0.822 38 P CB -0.295 30.952 31.700 -0.754 0.000 0.784 39 A N 0.168 122.939 122.820 -0.082 0.000 1.873 39 A HA -0.212 4.108 4.320 0.001 0.000 0.215 39 A C 2.069 179.664 177.584 0.019 0.000 1.186 39 A CA 1.685 53.712 52.037 -0.017 0.000 0.616 39 A CB -0.978 18.014 19.000 -0.012 0.000 0.823 39 A HN 0.135 nan 8.150 nan 0.000 0.442 40 K N -0.161 120.257 120.400 0.030 0.000 2.097 40 K HA -0.048 4.272 4.320 0.001 0.000 0.206 40 K C 2.272 178.930 176.600 0.097 0.000 1.049 40 K CA 1.071 57.407 56.287 0.081 0.000 0.933 40 K CB -0.364 32.205 32.500 0.115 0.000 0.717 40 K HN 0.426 nan 8.250 nan 0.000 0.442 41 A N 2.163 125.024 122.820 0.070 0.000 1.940 41 A HA -0.203 4.118 4.320 0.001 0.000 0.219 41 A C 1.855 179.493 177.584 0.091 0.000 1.176 41 A CA 1.545 53.634 52.037 0.087 0.000 0.631 41 A CB -0.304 18.747 19.000 0.085 0.000 0.814 41 A HN 0.222 nan 8.150 nan 0.000 0.446 42 K N -0.597 119.849 120.400 0.077 0.000 2.288 42 K HA -0.092 4.228 4.320 0.001 0.000 0.201 42 K C 1.928 178.578 176.600 0.083 0.000 1.048 42 K CA 1.188 57.521 56.287 0.077 0.000 0.956 42 K CB -0.087 32.452 32.500 0.064 0.000 0.746 42 K HN 0.639 nan 8.250 nan 0.000 0.461 43 Q N 0.220 120.076 119.800 0.094 0.000 2.389 43 Q HA 0.070 4.410 4.340 0.001 0.000 0.204 43 Q C 0.095 176.185 176.000 0.150 0.000 0.944 43 Q CA 0.342 56.212 55.803 0.111 0.000 0.908 43 Q CB 0.202 29.002 28.738 0.102 0.000 1.002 43 Q HN 0.205 nan 8.270 nan 0.000 0.493 44 L N 0.139 121.451 121.223 0.147 0.000 2.343 44 L HA 0.204 4.544 4.340 0.001 0.000 0.275 44 L C 1.236 178.173 176.870 0.112 0.000 1.056 44 L CA -0.243 54.690 54.840 0.154 0.000 0.804 44 L CB 1.510 43.657 42.059 0.147 0.000 1.203 44 L HN 0.051 nan 8.230 nan 0.000 0.440 45 T N -3.195 111.438 114.554 0.132 0.000 3.023 45 T HA 0.208 4.559 4.350 0.001 0.000 0.249 45 T C 0.302 174.958 174.700 -0.073 0.000 1.050 45 T CA 0.222 62.367 62.100 0.075 0.000 1.088 45 T CB 0.038 69.012 68.868 0.177 0.000 0.946 45 T HN 0.543 nan 8.240 nan 0.000 0.480 46 H N -0.604 118.465 119.070 -0.002 0.000 2.996 46 H HA 0.694 5.250 4.556 0.001 0.000 0.368 46 H C -1.349 173.944 175.328 -0.058 0.000 1.185 46 H CA -0.972 55.065 56.048 -0.018 0.000 1.160 46 H CB 1.659 31.389 29.762 -0.055 0.000 1.820 46 H HN 0.140 nan 8.280 nan 0.000 0.547 47 I N 2.169 122.799 120.570 0.100 0.000 2.447 47 I HA 0.223 4.393 4.170 0.001 0.000 0.287 47 I C -0.662 175.478 176.117 0.038 0.000 1.023 47 I CA -0.808 60.519 61.300 0.045 0.000 1.083 47 I CB 1.409 39.474 38.000 0.109 0.000 1.245 47 I HN 0.490 nan 8.210 nan 0.000 0.434 48 N N 6.484 125.098 118.700 -0.143 0.000 2.558 48 N HA 0.200 4.940 4.740 0.001 0.000 0.233 48 N C -0.617 174.870 175.510 -0.037 0.000 1.038 48 N CA -0.271 52.648 53.050 -0.218 0.000 0.934 48 N CB 0.465 38.479 38.487 -0.787 0.000 1.175 48 N HN 0.390 nan 8.380 nan 0.000 0.512 49 F N 1.904 121.877 119.950 0.038 0.000 2.543 49 F HA 0.159 4.687 4.527 0.000 0.000 0.375 49 F C 0.112 175.917 175.800 0.008 0.000 1.075 49 F CA 0.246 58.334 58.000 0.148 0.000 1.225 49 F CB 0.419 39.608 39.000 0.315 0.000 1.099 49 F HN 0.178 nan 8.300 nan 0.000 0.561 50 S N 6.000 121.270 115.700 -0.717 0.000 2.526 50 S HA 0.702 5.172 4.470 0.001 0.000 0.293 50 S C -1.368 172.954 174.600 -0.464 0.000 1.092 50 S CA -0.484 57.297 58.200 -0.697 0.000 0.980 50 S CB 1.392 63.921 63.200 -1.118 0.000 1.048 50 S HN 0.479 nan 8.310 nan 0.000 0.483 51 F N 1.164 121.203 119.950 0.149 0.000 2.576 51 F HA 0.653 5.181 4.527 0.001 0.000 0.313 51 F C -0.389 175.575 175.800 0.273 0.000 1.078 51 F CA -0.796 57.364 58.000 0.266 0.000 0.921 51 F CB 1.173 40.398 39.000 0.375 0.000 1.232 51 F HN 0.330 nan 8.300 nan 0.000 0.459 52 L N 1.041 122.507 121.223 0.405 0.000 2.397 52 L HA 0.593 4.934 4.340 0.001 0.000 0.266 52 L C -0.529 176.451 176.870 0.184 0.000 1.040 52 L CA -0.208 54.699 54.840 0.112 0.000 0.800 52 L CB 1.256 43.226 42.059 -0.147 0.000 1.324 52 L HN 0.618 nan 8.230 nan 0.000 0.469 53 D N -1.365 118.999 120.400 -0.060 0.000 2.781 53 D HA 0.549 5.190 4.640 0.001 0.000 0.295 53 D C -1.462 174.714 176.300 -0.207 0.000 1.143 53 D CA -0.347 53.521 54.000 -0.221 0.000 1.076 53 D CB 1.405 41.748 40.800 -0.761 0.000 1.444 53 D HN 0.248 nan 8.370 nan 0.000 0.567 54 I N 2.068 122.400 120.570 -0.397 0.000 2.406 54 I HA 0.322 4.492 4.170 0.001 0.000 0.290 54 I C -0.143 175.775 176.117 -0.332 0.000 0.999 54 I CA -0.922 60.118 61.300 -0.433 0.000 1.124 54 I CB 1.451 38.890 38.000 -0.934 0.000 1.289 54 I HN 0.344 nan 8.210 nan 0.000 0.441 55 N N 3.204 121.787 118.700 -0.195 0.000 2.418 55 N HA 0.130 4.870 4.740 0.001 0.000 0.283 55 N C 0.888 176.314 175.510 -0.140 0.000 1.267 55 N CA -0.517 52.447 53.050 -0.143 0.000 0.975 55 N CB 0.285 38.730 38.487 -0.070 0.000 1.167 55 N HN 0.532 nan 8.380 nan 0.000 0.581 56 S N -1.899 113.742 115.700 -0.097 0.000 2.474 56 S HA -0.157 4.313 4.470 0.001 0.000 0.235 56 S C 1.092 175.648 174.600 -0.073 0.000 0.997 56 S CA 0.767 58.915 58.200 -0.088 0.000 0.949 56 S CB -0.865 62.299 63.200 -0.059 0.000 0.766 56 S HN 0.740 nan 8.310 nan 0.000 0.517 57 N N 1.269 119.935 118.700 -0.056 0.000 2.449 57 N HA 0.142 4.882 4.740 0.001 0.000 0.191 57 N C -0.228 175.257 175.510 -0.041 0.000 1.161 57 N CA 0.195 53.223 53.050 -0.036 0.000 0.863 57 N CB -0.295 38.183 38.487 -0.015 0.000 0.980 57 N HN 0.389 nan 8.380 nan 0.000 0.458 58 L N 0.154 121.327 121.223 -0.084 0.000 3.608 58 L HA -0.230 4.111 4.340 0.001 0.000 0.422 58 L C -1.001 175.869 176.870 -0.000 0.000 1.260 58 L CA 0.775 55.549 54.840 -0.111 0.000 0.889 58 L CB -1.875 40.125 42.059 -0.098 0.000 1.821 58 L HN 0.332 nan 8.230 nan 0.000 0.884 59 E N -0.683 119.530 120.200 0.022 0.000 2.343 59 E HA 0.397 4.747 4.350 0.001 0.000 0.270 59 E C -0.415 176.251 176.600 0.109 0.000 0.895 59 E CA -0.799 55.675 56.400 0.124 0.000 0.767 59 E CB 2.720 32.455 29.700 0.059 0.000 1.248 59 E HN 0.282 nan 8.360 nan 0.000 0.440 60 C N 2.164 121.563 119.300 0.165 0.000 2.653 60 C HA 0.660 5.120 4.460 0.001 0.000 0.421 60 C C 0.073 175.076 174.990 0.023 0.000 1.334 60 C CA 0.234 59.321 59.018 0.114 0.000 1.885 60 C CB -1.528 26.265 27.740 0.089 0.000 2.645 60 C HN 0.669 nan 8.230 nan 0.000 0.601 61 A N 4.880 127.685 122.820 -0.026 0.000 2.601 61 A HA 0.692 5.012 4.320 0.001 0.000 0.291 61 A C -1.551 176.008 177.584 -0.041 0.000 1.075 61 A CA -0.686 51.350 52.037 -0.002 0.000 0.671 61 A CB 0.190 19.218 19.000 0.046 0.000 1.277 61 A HN 0.917 nan 8.150 nan 0.000 0.417 62 W N 0.883 122.175 121.300 -0.013 0.000 2.161 62 W HA 0.427 5.088 4.660 0.001 0.000 0.344 62 W C 0.580 177.129 176.519 0.052 0.000 1.262 62 W CA 0.827 58.191 57.345 0.032 0.000 1.270 62 W CB 0.529 29.992 29.460 0.004 0.000 1.126 62 W HN 0.743 nan 8.180 nan 0.000 0.598 63 D N 2.501 123.122 120.400 0.370 0.000 2.533 63 D HA -0.051 4.589 4.640 0.001 0.000 0.236 63 D C -1.412 175.034 176.300 0.243 0.000 1.137 63 D CA -1.076 53.093 54.000 0.281 0.000 0.867 63 D CB 1.212 42.253 40.800 0.402 0.000 1.170 63 D HN -0.004 nan 8.370 nan 0.000 0.474 64 P HA -0.090 nan 4.420 nan 0.000 0.218 64 P C 0.567 177.941 177.300 0.124 0.000 1.146 64 P CA 1.583 64.761 63.100 0.129 0.000 0.813 64 P CB 0.090 31.846 31.700 0.094 0.000 0.778 65 A N -1.530 121.377 122.820 0.144 0.000 2.259 65 A HA 0.079 4.399 4.320 0.001 0.000 0.208 65 A C 0.743 178.398 177.584 0.117 0.000 1.201 65 A CA 0.459 52.568 52.037 0.120 0.000 0.824 65 A CB -1.131 17.945 19.000 0.126 0.000 0.838 65 A HN 0.103 nan 8.150 nan 0.000 0.485 66 T N 1.725 116.361 114.554 0.138 0.000 2.832 66 T HA 0.107 4.457 4.350 0.001 0.000 0.296 66 T C 0.235 174.941 174.700 0.010 0.000 0.968 66 T CA -0.445 61.718 62.100 0.105 0.000 1.107 66 T CB 0.476 69.445 68.868 0.170 0.000 0.916 66 T HN 0.410 nan 8.240 nan 0.000 0.517 67 N N 2.717 121.410 118.700 -0.012 0.000 2.405 67 N HA -0.017 4.723 4.740 0.001 0.000 0.260 67 N C 0.750 176.185 175.510 -0.125 0.000 1.152 67 N CA -0.055 52.970 53.050 -0.041 0.000 0.948 67 N CB 1.071 39.548 38.487 -0.017 0.000 1.111 67 N HN 0.638 nan 8.380 nan 0.000 0.485 68 D N 4.008 124.325 120.400 -0.140 0.000 2.104 68 D HA -0.152 4.489 4.640 0.001 0.000 0.194 68 D C 1.716 177.902 176.300 -0.190 0.000 0.994 68 D CA 1.929 55.800 54.000 -0.214 0.000 0.830 68 D CB 0.207 40.930 40.800 -0.128 0.000 0.959 68 D HN 0.660 nan 8.370 nan 0.000 0.452 69 A N 0.490 123.235 122.820 -0.125 0.000 1.883 69 A HA -0.206 4.115 4.320 0.001 0.000 0.217 69 A C 2.118 179.633 177.584 -0.115 0.000 1.186 69 A CA 1.549 53.520 52.037 -0.110 0.000 0.624 69 A CB -0.475 18.482 19.000 -0.073 0.000 0.822 69 A HN 0.107 nan 8.150 nan 0.000 0.444 70 K N -0.134 120.209 120.400 -0.095 0.000 2.147 70 K HA -0.044 4.277 4.320 0.001 0.000 0.205 70 K C 2.248 178.761 176.600 -0.144 0.000 1.049 70 K CA 1.230 57.472 56.287 -0.075 0.000 0.936 70 K CB -0.721 31.772 32.500 -0.012 0.000 0.722 70 K HN 0.476 nan 8.250 nan 0.000 0.446 71 A N 1.723 124.401 122.820 -0.236 0.000 1.877 71 A HA -0.176 4.145 4.320 0.001 0.000 0.216 71 A C 2.260 179.656 177.584 -0.312 0.000 1.186 71 A CA 1.379 53.175 52.037 -0.400 0.000 0.620 71 A CB -0.417 17.993 19.000 -0.983 0.000 0.822 71 A HN 0.253 nan 8.150 nan 0.000 0.443 72 R N -0.595 119.767 120.500 -0.229 0.000 2.091 72 R HA -0.171 4.170 4.340 0.001 0.000 0.238 72 R C 2.036 178.233 176.300 -0.171 0.000 1.136 72 R CA 1.626 57.633 56.100 -0.154 0.000 0.959 72 R CB -0.485 29.711 30.300 -0.174 0.000 0.856 72 R HN 0.720 nan 8.270 nan 0.000 0.437 73 D N 0.151 120.455 120.400 -0.160 0.000 2.104 73 D HA -0.147 4.493 4.640 0.001 0.000 0.194 73 D C 1.734 177.910 176.300 -0.207 0.000 0.994 73 D CA 1.266 55.178 54.000 -0.147 0.000 0.830 73 D CB 0.126 40.863 40.800 -0.105 0.000 0.959 73 D HN -0.043 nan 8.370 nan 0.000 0.452 74 V N -0.119 119.627 119.914 -0.280 0.000 2.295 74 V HA -0.218 3.902 4.120 0.001 0.000 0.246 74 V C 2.617 178.593 176.094 -0.197 0.000 1.049 74 V CA 1.431 63.527 62.300 -0.339 0.000 1.024 74 V CB -0.421 31.269 31.823 -0.222 0.000 0.648 74 V HN 0.196 nan 8.190 nan 0.000 0.447 75 V N 0.703 120.484 119.914 -0.222 0.000 2.407 75 V HA -0.227 3.893 4.120 0.001 0.000 0.248 75 V C 2.316 178.287 176.094 -0.204 0.000 1.055 75 V CA 2.035 64.171 62.300 -0.272 0.000 1.049 75 V CB -0.898 30.683 31.823 -0.402 0.000 0.662 75 V HN 0.573 nan 8.190 nan 0.000 0.455 76 N N 0.472 119.065 118.700 -0.178 0.000 2.166 76 N HA -0.143 4.597 4.740 0.001 0.000 0.186 76 N C 1.958 177.412 175.510 -0.093 0.000 1.019 76 N CA 1.272 54.242 53.050 -0.134 0.000 0.856 76 N CB -0.375 38.041 38.487 -0.118 0.000 0.993 76 N HN 0.485 nan 8.380 nan 0.000 0.426 77 R N 0.423 120.866 120.500 -0.095 0.000 2.096 77 R HA 0.024 4.364 4.340 0.001 0.000 0.235 77 R C 2.190 178.461 176.300 -0.047 0.000 1.127 77 R CA 0.755 56.822 56.100 -0.056 0.000 0.968 77 R CB -0.254 30.012 30.300 -0.057 0.000 0.861 77 R HN 0.221 nan 8.270 nan 0.000 0.440 78 L N -0.167 121.016 121.223 -0.067 0.000 2.023 78 L HA -0.121 4.219 4.340 0.001 0.000 0.205 78 L C 2.637 179.503 176.870 -0.007 0.000 1.073 78 L CA 1.648 56.466 54.840 -0.036 0.000 0.745 78 L CB -0.884 41.176 42.059 0.002 0.000 0.900 78 L HN 0.343 nan 8.230 nan 0.000 0.435 79 T N -2.129 112.406 114.554 -0.033 0.000 2.849 79 T HA -0.151 4.199 4.350 0.001 0.000 0.270 79 T C 1.878 176.568 174.700 -0.017 0.000 1.066 79 T CA 0.944 63.030 62.100 -0.024 0.000 1.130 79 T CB -0.410 68.418 68.868 -0.067 0.000 0.864 79 T HN 0.317 nan 8.240 nan 0.000 0.481 80 A N 1.811 124.619 122.820 -0.019 0.000 1.972 80 A HA 0.154 4.474 4.320 0.001 0.000 0.219 80 A C 2.356 179.955 177.584 0.026 0.000 1.169 80 A CA 1.158 53.188 52.037 -0.010 0.000 0.635 80 A CB -0.928 18.071 19.000 -0.001 0.000 0.810 80 A HN 0.574 nan 8.150 nan 0.000 0.446 81 L N -0.753 120.510 121.223 0.067 0.000 2.261 81 L HA -0.226 4.114 4.340 0.001 0.000 0.216 81 L C 2.289 179.224 176.870 0.108 0.000 1.114 81 L CA 1.468 56.394 54.840 0.142 0.000 0.777 81 L CB -0.437 41.681 42.059 0.098 0.000 0.910 81 L HN 0.368 nan 8.230 nan 0.000 0.440 82 K N 0.189 120.610 120.400 0.036 0.000 2.280 82 K HA -0.106 4.214 4.320 0.001 0.000 0.202 82 K C 2.146 178.726 176.600 -0.034 0.000 1.047 82 K CA 1.080 57.372 56.287 0.009 0.000 0.942 82 K CB -0.213 32.285 32.500 -0.003 0.000 0.739 82 K HN 0.311 nan 8.250 nan 0.000 0.457 83 A N 0.843 123.597 122.820 -0.109 0.000 2.121 83 A HA -0.140 4.181 4.320 0.001 0.000 0.218 83 A C 1.221 178.613 177.584 -0.321 0.000 1.154 83 A CA 1.103 52.999 52.037 -0.235 0.000 0.679 83 A CB -0.363 18.436 19.000 -0.336 0.000 0.795 83 A HN 0.301 nan 8.150 nan 0.000 0.458 84 H N -1.956 117.117 119.070 0.005 0.000 2.652 84 H HA 0.147 4.703 4.556 0.001 0.000 0.274 84 H C -0.381 174.955 175.328 0.013 0.000 1.021 84 H CA 0.348 56.402 56.048 0.010 0.000 1.187 84 H CB 0.443 30.213 29.762 0.015 0.000 1.505 84 H HN 0.492 nan 8.280 nan 0.000 0.530 85 N N 0.967 119.721 118.700 0.089 0.000 2.747 85 N HA 0.055 4.796 4.740 0.001 0.000 0.262 85 N C -2.207 173.316 175.510 0.022 0.000 1.261 85 N CA -1.342 51.744 53.050 0.060 0.000 0.809 85 N CB 1.601 40.132 38.487 0.073 0.000 1.450 85 N HN -0.138 nan 8.380 nan 0.000 0.560 86 P HA -0.112 nan 4.420 nan 0.000 0.219 86 P C 0.507 177.797 177.300 -0.017 0.000 1.146 86 P CA 1.133 64.227 63.100 -0.010 0.000 0.808 86 P CB 0.271 31.966 31.700 -0.009 0.000 0.779 87 S N -1.515 114.177 115.700 -0.013 0.000 2.556 87 S HA 0.136 4.606 4.470 0.001 0.000 0.216 87 S C 0.779 175.340 174.600 -0.065 0.000 0.970 87 S CA -0.543 57.638 58.200 -0.032 0.000 0.912 87 S CB -0.843 62.349 63.200 -0.014 0.000 0.790 87 S HN 0.023 nan 8.310 nan 0.000 0.504 88 L N 3.153 124.352 121.223 -0.040 0.000 2.410 88 L HA 0.381 4.722 4.340 0.001 0.000 0.273 88 L C -0.034 176.793 176.870 -0.071 0.000 1.152 88 L CA 0.114 54.922 54.840 -0.053 0.000 0.855 88 L CB 0.291 42.356 42.059 0.009 0.000 1.129 88 L HN 0.093 nan 8.230 nan 0.000 0.463 89 R N 5.649 126.066 120.500 -0.139 0.000 2.637 89 R HA 0.566 4.906 4.340 0.001 0.000 0.291 89 R C -1.102 175.234 176.300 0.060 0.000 0.963 89 R CA -0.940 55.127 56.100 -0.055 0.000 0.901 89 R CB 1.667 31.889 30.300 -0.130 0.000 1.160 89 R HN 0.521 nan 8.270 nan 0.000 0.457 90 I N 4.712 125.377 120.570 0.160 0.000 2.337 90 I HA 0.251 4.422 4.170 0.001 0.000 0.285 90 I C 0.124 176.477 176.117 0.394 0.000 1.041 90 I CA -0.292 61.165 61.300 0.261 0.000 1.199 90 I CB 0.801 38.960 38.000 0.266 0.000 1.370 90 I HN 0.503 nan 8.210 nan 0.000 0.470 91 M N 6.210 125.979 119.600 0.282 0.000 2.368 91 M HA 0.477 4.958 4.480 0.001 0.000 0.311 91 M C -0.327 176.025 176.300 0.087 0.000 1.168 91 M CA -0.471 54.939 55.300 0.183 0.000 1.044 91 M CB 1.346 33.986 32.600 0.067 0.000 1.506 91 M HN 0.375 nan 8.290 nan 0.000 0.475 92 F N -1.152 118.581 119.950 -0.362 0.000 2.551 92 F HA 0.751 5.278 4.527 0.001 0.000 0.316 92 F C -0.734 174.944 175.800 -0.204 0.000 1.089 92 F CA -0.949 56.739 58.000 -0.519 0.000 0.915 92 F CB 1.053 39.190 39.000 -1.439 0.000 1.186 92 F HN 0.407 nan 8.300 nan 0.000 0.456 93 S N 3.845 119.519 115.700 -0.043 0.000 2.451 93 S HA 0.677 5.148 4.470 0.001 0.000 0.301 93 S C -0.434 174.364 174.600 0.329 0.000 1.116 93 S CA -0.599 57.660 58.200 0.098 0.000 1.093 93 S CB 1.021 64.407 63.200 0.310 0.000 1.017 93 S HN 0.568 nan 8.310 nan 0.000 0.482 94 I N 2.829 123.561 120.570 0.270 0.000 2.354 94 I HA 0.672 4.842 4.170 0.001 0.000 0.292 94 I C 0.927 177.282 176.117 0.397 0.000 0.989 94 I CA -0.050 61.458 61.300 0.347 0.000 1.188 94 I CB 1.100 39.265 38.000 0.275 0.000 1.342 94 I HN 0.908 nan 8.210 nan 0.000 0.457 95 G N 4.107 113.130 108.800 0.373 0.000 2.436 95 G HA2 0.345 4.306 3.960 0.001 0.000 0.205 95 G HA3 0.345 4.306 3.960 0.001 0.000 0.205 95 G C -0.000 174.584 174.900 -0.526 0.000 1.188 95 G CA 0.056 45.184 45.100 0.046 0.000 1.267 95 G HN 1.545 nan 8.290 nan 0.000 0.536 96 G N -1.899 106.350 108.800 -0.917 0.000 2.707 96 G HA2 0.081 4.042 3.960 0.001 0.000 0.686 96 G HA3 0.081 4.042 3.960 0.001 0.000 0.686 96 G C 0.733 175.220 174.900 -0.689 0.000 1.315 96 G CA 0.501 44.768 45.100 -1.389 0.000 0.832 96 G HN 1.897 nan 8.290 nan 0.000 0.573 97 W N 0.315 121.201 121.300 -0.690 0.000 2.332 97 W HA -0.186 4.474 4.660 0.001 0.000 0.321 97 W C 2.158 178.474 176.519 -0.339 0.000 1.219 97 W CA 2.683 59.740 57.345 -0.480 0.000 1.277 97 W CB -0.455 28.762 29.460 -0.406 0.000 1.161 97 W HN 0.715 nan 8.180 nan 0.000 0.476 98 Y N 0.661 120.739 120.300 -0.370 0.000 2.139 98 Y HA -0.359 4.191 4.550 0.001 0.000 0.282 98 Y C 2.401 178.097 175.900 -0.340 0.000 1.179 98 Y CA 2.748 60.635 58.100 -0.356 0.000 1.161 98 Y CB -1.212 37.064 38.460 -0.306 0.000 0.970 98 Y HN -0.050 nan 8.280 nan 0.000 0.511 99 Y N -0.786 119.303 120.300 -0.352 0.000 2.206 99 Y HA -0.066 4.485 4.550 0.001 0.000 0.292 99 Y C 2.868 178.425 175.900 -0.571 0.000 1.123 99 Y CA 1.211 59.072 58.100 -0.398 0.000 1.142 99 Y CB -1.103 37.251 38.460 -0.176 0.000 1.006 99 Y HN 0.265 nan 8.280 nan 0.000 0.518 100 S N -0.125 115.210 115.700 -0.607 0.000 2.540 100 S HA 0.081 4.551 4.470 0.001 0.000 0.218 100 S C 0.357 174.571 174.600 -0.643 0.000 0.977 100 S CA -0.360 57.312 58.200 -0.879 0.000 0.918 100 S CB -1.234 61.196 63.200 -1.283 0.000 0.806 100 S HN 0.482 nan 8.310 nan 0.000 0.496 101 N N 1.703 119.870 118.700 -0.889 0.000 2.415 101 N HA 0.083 4.823 4.740 0.001 0.000 0.248 101 N C 0.219 175.265 175.510 -0.774 0.000 1.271 101 N CA 0.037 52.444 53.050 -1.071 0.000 0.913 101 N CB 0.165 37.273 38.487 -2.299 0.000 1.129 101 N HN -0.178 nan 8.380 nan 0.000 0.444 102 D N 0.476 120.460 120.400 -0.694 0.000 2.200 102 D HA -0.188 4.452 4.640 0.001 0.000 0.192 102 D C 1.021 176.923 176.300 -0.662 0.000 1.008 102 D CA 1.569 55.052 54.000 -0.862 0.000 0.872 102 D CB -0.128 40.427 40.800 -0.408 0.000 0.923 102 D HN 0.574 nan 8.370 nan 0.000 0.447 103 L N -0.358 120.591 121.223 -0.458 0.000 2.741 103 L HA 0.305 4.645 4.340 0.001 0.000 0.237 103 L C 1.250 177.925 176.870 -0.324 0.000 1.178 103 L CA -0.519 54.139 54.840 -0.303 0.000 0.973 103 L CB 0.367 42.313 42.059 -0.187 0.000 1.255 103 L HN -0.104 nan 8.230 nan 0.000 0.498 104 G N -0.125 108.413 108.800 -0.437 0.000 2.539 104 G HA2 0.296 4.256 3.960 0.001 0.000 0.258 104 G HA3 0.296 4.256 3.960 0.001 0.000 0.258 104 G C 1.226 175.932 174.900 -0.323 0.000 1.202 104 G CA -0.022 44.802 45.100 -0.460 0.000 0.851 104 G HN 0.015 nan 8.290 nan 0.000 0.556 105 V N -0.767 118.916 119.914 -0.386 0.000 2.469 105 V HA -0.115 4.006 4.120 0.001 0.000 0.251 105 V C 1.917 177.926 176.094 -0.142 0.000 1.064 105 V CA 2.356 64.515 62.300 -0.236 0.000 1.066 105 V CB -0.462 31.215 31.823 -0.244 0.000 0.667 105 V HN 0.443 nan 8.190 nan 0.000 0.461 106 S N -1.093 114.530 115.700 -0.129 0.000 2.554 106 S HA 0.179 4.649 4.470 0.001 0.000 0.226 106 S C 1.375 175.962 174.600 -0.021 0.000 0.980 106 S CA 0.402 58.562 58.200 -0.066 0.000 0.939 106 S CB -0.316 62.863 63.200 -0.035 0.000 0.832 106 S HN 0.859 nan 8.310 nan 0.000 0.486 107 H N 3.210 122.151 119.070 -0.215 0.000 2.321 107 H HA -0.155 4.401 4.556 0.001 0.000 0.295 107 H C 2.112 177.323 175.328 -0.195 0.000 1.102 107 H CA 2.149 58.028 56.048 -0.283 0.000 1.266 107 H CB -0.394 29.198 29.762 -0.284 0.000 1.363 107 H HN 0.371 nan 8.280 nan 0.000 0.492 108 A N 0.472 123.197 122.820 -0.159 0.000 1.948 108 A HA -0.262 4.059 4.320 0.001 0.000 0.220 108 A C 2.221 179.644 177.584 -0.268 0.000 1.177 108 A CA 1.883 53.799 52.037 -0.201 0.000 0.636 108 A CB -0.484 18.462 19.000 -0.090 0.000 0.815 108 A HN 0.627 nan 8.150 nan 0.000 0.449 109 N N -1.056 117.491 118.700 -0.255 0.000 2.166 109 N HA -0.145 4.595 4.740 0.001 0.000 0.186 109 N C 1.431 176.604 175.510 -0.561 0.000 1.019 109 N CA 1.619 54.458 53.050 -0.352 0.000 0.856 109 N CB -0.612 37.660 38.487 -0.360 0.000 0.993 109 N HN 0.659 nan 8.380 nan 0.000 0.426 110 Y N 0.903 120.743 120.300 -0.766 0.000 2.200 110 Y HA -0.042 4.508 4.550 0.001 0.000 0.290 110 Y C 2.490 177.825 175.900 -0.943 0.000 1.137 110 Y CA 0.485 57.914 58.100 -1.118 0.000 1.163 110 Y CB -0.765 36.531 38.460 -1.941 0.000 0.988 110 Y HN -0.183 nan 8.280 nan 0.000 0.518 111 V N 0.451 119.996 119.914 -0.615 0.000 2.343 111 V HA -0.317 3.804 4.120 0.001 0.000 0.247 111 V C 1.513 177.522 176.094 -0.140 0.000 1.051 111 V CA 2.369 64.535 62.300 -0.224 0.000 1.036 111 V CB -0.754 30.947 31.823 -0.204 0.000 0.654 111 V HN 0.473 nan 8.190 nan 0.000 0.451 112 N N 0.217 118.795 118.700 -0.203 0.000 2.354 112 N HA 0.016 4.756 4.740 0.001 0.000 0.179 112 N C 1.828 177.246 175.510 -0.154 0.000 1.021 112 N CA 0.954 53.919 53.050 -0.141 0.000 0.887 112 N CB -0.294 38.113 38.487 -0.133 0.000 0.974 112 N HN 0.456 nan 8.380 nan 0.000 0.437 113 A N 0.743 123.402 122.820 -0.268 0.000 1.972 113 A HA -0.076 4.244 4.320 0.001 0.000 0.219 113 A C 2.025 179.515 177.584 -0.156 0.000 1.169 113 A CA 1.354 53.220 52.037 -0.284 0.000 0.635 113 A CB -0.554 18.069 19.000 -0.628 0.000 0.810 113 A HN 0.246 nan 8.150 nan 0.000 0.446 114 V N -3.650 116.208 119.914 -0.093 0.000 3.596 114 V HA 0.208 4.328 4.120 0.001 0.000 0.289 114 V C 1.488 177.620 176.094 0.063 0.000 1.336 114 V CA 0.889 63.216 62.300 0.046 0.000 1.137 114 V CB -0.404 31.535 31.823 0.194 0.000 0.966 114 V HN 0.389 nan 8.190 nan 0.000 0.428 115 K N 1.685 122.100 120.400 0.025 0.000 2.057 115 K HA 0.002 4.322 4.320 0.001 0.000 0.206 115 K C 1.147 177.765 176.600 0.031 0.000 1.050 115 K CA 1.766 58.071 56.287 0.029 0.000 0.935 115 K CB -0.031 32.474 32.500 0.007 0.000 0.715 115 K HN 0.807 nan 8.250 nan 0.000 0.439 116 T N -4.159 110.412 114.554 0.027 0.000 2.887 116 T HA 0.276 4.626 4.350 0.001 0.000 0.292 116 T C -2.509 172.212 174.700 0.034 0.000 1.087 116 T CA -1.999 60.117 62.100 0.027 0.000 1.009 116 T CB 1.888 70.767 68.868 0.018 0.000 1.203 116 T HN -0.305 nan 8.240 nan 0.000 0.518 117 P HA -0.014 nan 4.420 nan 0.000 0.215 117 P C 1.668 178.986 177.300 0.031 0.000 1.153 117 P CA 1.791 64.909 63.100 0.030 0.000 0.853 117 P CB -0.278 31.435 31.700 0.022 0.000 0.788 118 A N 0.047 122.883 122.820 0.025 0.000 1.877 118 A HA -0.206 4.114 4.320 0.001 0.000 0.216 118 A C 2.423 180.027 177.584 0.033 0.000 1.186 118 A CA 2.557 54.609 52.037 0.024 0.000 0.620 118 A CB -1.698 17.312 19.000 0.016 0.000 0.822 118 A HN 0.334 nan 8.150 nan 0.000 0.443 119 S N -0.139 115.580 115.700 0.032 0.000 2.368 119 S HA -0.180 4.290 4.470 0.001 0.000 0.224 119 S C 2.035 176.687 174.600 0.086 0.000 1.029 119 S CA 1.211 59.434 58.200 0.039 0.000 0.988 119 S CB -0.501 62.703 63.200 0.007 0.000 0.838 119 S HN 0.592 nan 8.310 nan 0.000 0.462 120 R N 1.035 121.587 120.500 0.087 0.000 2.081 120 R HA -0.037 4.304 4.340 0.001 0.000 0.235 120 R C 2.930 179.307 176.300 0.129 0.000 1.131 120 R CA 1.830 58.014 56.100 0.140 0.000 0.960 120 R CB -1.542 28.820 30.300 0.103 0.000 0.856 120 R HN 0.729 nan 8.270 nan 0.000 0.436 121 T N 1.165 115.762 114.554 0.072 0.000 2.708 121 T HA -0.223 4.127 4.350 0.001 0.000 0.266 121 T C 1.860 176.581 174.700 0.035 0.000 1.037 121 T CA 1.739 63.864 62.100 0.040 0.000 1.146 121 T CB -0.243 68.640 68.868 0.025 0.000 0.865 121 T HN 0.147 nan 8.240 nan 0.000 0.435 122 K N -0.740 119.692 120.400 0.053 0.000 2.057 122 K HA -0.066 4.255 4.320 0.001 0.000 0.207 122 K C 2.023 178.662 176.600 0.065 0.000 1.049 122 K CA 1.427 57.742 56.287 0.047 0.000 0.931 122 K CB -0.321 32.209 32.500 0.049 0.000 0.714 122 K HN 0.414 nan 8.250 nan 0.000 0.440 123 F N 1.494 121.426 119.950 -0.029 0.000 2.075 123 F HA -0.119 4.408 4.527 0.001 0.000 0.297 123 F C 2.057 177.846 175.800 -0.019 0.000 1.113 123 F CA 1.530 59.506 58.000 -0.039 0.000 1.218 123 F CB -0.880 38.087 39.000 -0.054 0.000 0.984 123 F HN 0.093 nan 8.300 nan 0.000 0.472 124 A N 0.285 122.931 122.820 -0.289 0.000 1.917 124 A HA -0.281 4.039 4.320 0.001 0.000 0.219 124 A C 2.159 179.589 177.584 -0.256 0.000 1.182 124 A CA 2.071 53.900 52.037 -0.348 0.000 0.633 124 A CB -1.053 17.876 19.000 -0.118 0.000 0.819 124 A HN 0.659 nan 8.150 nan 0.000 0.448 125 Q N -0.007 119.708 119.800 -0.141 0.000 2.135 125 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 125 Q C 2.467 178.404 176.000 -0.105 0.000 0.981 125 Q CA 1.972 57.719 55.803 -0.093 0.000 0.856 125 Q CB -0.330 28.380 28.738 -0.046 0.000 0.902 125 Q HN 0.888 nan 8.270 nan 0.000 0.425 126 S N -0.265 115.356 115.700 -0.132 0.000 2.402 126 S HA -0.143 4.328 4.470 0.001 0.000 0.229 126 S C 2.180 176.708 174.600 -0.120 0.000 1.021 126 S CA 0.998 59.140 58.200 -0.097 0.000 0.974 126 S CB -0.646 62.521 63.200 -0.056 0.000 0.800 126 S HN 0.397 nan 8.310 nan 0.000 0.484 127 C N 1.384 120.531 119.300 -0.254 0.000 2.436 127 C HA 0.016 4.476 4.460 0.001 0.000 0.277 127 C C 2.800 177.802 174.990 0.019 0.000 1.241 127 C CA 0.774 59.720 59.018 -0.120 0.000 1.721 127 C CB -1.416 26.134 27.740 -0.317 0.000 2.043 127 C HN 0.538 nan 8.230 nan 0.000 0.472 128 V N 1.030 120.905 119.914 -0.064 0.000 2.490 128 V HA -0.205 3.915 4.120 0.001 0.000 0.250 128 V C 2.564 178.633 176.094 -0.040 0.000 1.061 128 V CA 2.124 64.388 62.300 -0.060 0.000 1.064 128 V CB -0.836 30.930 31.823 -0.095 0.000 0.670 128 V HN 0.534 nan 8.190 nan 0.000 0.461 129 R N -0.077 120.406 120.500 -0.028 0.000 2.075 129 R HA -0.100 4.241 4.340 0.001 0.000 0.232 129 R C 2.249 178.574 176.300 0.043 0.000 1.126 129 R CA 1.439 57.536 56.100 -0.004 0.000 0.963 129 R CB -0.127 30.171 30.300 -0.003 0.000 0.858 129 R HN 0.313 nan 8.270 nan 0.000 0.435 130 I N 1.123 121.720 120.570 0.044 0.000 2.202 130 I HA -0.277 3.894 4.170 0.001 0.000 0.242 130 I C 2.454 178.634 176.117 0.104 0.000 1.091 130 I CA 1.326 62.669 61.300 0.072 0.000 1.368 130 I CB -0.943 36.941 38.000 -0.192 0.000 1.058 130 I HN 0.415 nan 8.210 nan 0.000 0.410 131 M N 0.506 120.143 119.600 0.061 0.000 2.082 131 M HA -0.278 4.202 4.480 0.001 0.000 0.258 131 M C 2.215 178.600 176.300 0.141 0.000 1.071 131 M CA 1.973 57.401 55.300 0.214 0.000 1.103 131 M CB -0.153 32.569 32.600 0.204 0.000 1.307 131 M HN -0.011 nan 8.290 nan 0.000 0.409 132 K N 0.190 120.603 120.400 0.022 0.000 2.057 132 K HA -0.157 4.163 4.320 0.001 0.000 0.206 132 K C 1.709 178.296 176.600 -0.022 0.000 1.050 132 K CA 1.575 57.853 56.287 -0.016 0.000 0.935 132 K CB -0.965 31.506 32.500 -0.049 0.000 0.715 132 K HN 0.465 nan 8.250 nan 0.000 0.439 133 D N -0.138 120.260 120.400 -0.003 0.000 2.149 133 D HA -0.170 4.470 4.640 0.001 0.000 0.198 133 D C 1.273 177.379 176.300 -0.324 0.000 0.990 133 D CA 1.245 55.168 54.000 -0.129 0.000 0.839 133 D CB 0.065 40.818 40.800 -0.078 0.000 0.948 133 D HN 0.213 nan 8.370 nan 0.000 0.460 134 Y N -1.207 119.014 120.300 -0.132 0.000 2.462 134 Y HA 0.346 4.896 4.550 0.001 0.000 0.261 134 Y C 1.738 177.352 175.900 -0.477 0.000 1.146 134 Y CA 0.435 58.350 58.100 -0.308 0.000 1.283 134 Y CB 0.821 39.075 38.460 -0.342 0.000 1.090 134 Y HN 0.075 nan 8.280 nan 0.000 0.526 135 G N -0.360 108.313 108.800 -0.212 0.000 2.140 135 G HA2 -0.251 3.709 3.960 0.001 0.000 0.211 135 G HA3 -0.251 3.709 3.960 0.001 0.000 0.211 135 G C -0.253 174.568 174.900 -0.132 0.000 1.013 135 G CA -0.600 44.397 45.100 -0.171 0.000 0.705 135 G HN 0.097 nan 8.290 nan 0.000 0.508 136 F N 0.505 120.523 119.950 0.113 0.000 2.380 136 F HA 0.477 5.004 4.527 0.000 0.000 0.325 136 F C 1.267 177.210 175.800 0.237 0.000 1.136 136 F CA -0.662 57.447 58.000 0.181 0.000 1.171 136 F CB 0.799 39.962 39.000 0.272 0.000 1.230 136 F HN -0.014 nan 8.300 nan 0.000 0.554 137 D N 0.460 121.156 120.400 0.494 0.000 2.395 137 D HA 0.304 4.944 4.640 0.001 0.000 0.213 137 D C 0.666 177.233 176.300 0.445 0.000 1.110 137 D CA 0.419 54.684 54.000 0.442 0.000 0.835 137 D CB 0.747 41.701 40.800 0.258 0.000 0.965 137 D HN 0.642 nan 8.370 nan 0.000 0.505 138 G N -0.416 108.604 108.800 0.367 0.000 2.322 138 G HA2 0.350 4.310 3.960 0.001 0.000 0.295 138 G HA3 0.350 4.310 3.960 0.001 0.000 0.295 138 G C -1.846 173.057 174.900 0.004 0.000 1.369 138 G CA -0.619 44.609 45.100 0.213 0.000 0.821 138 G HN -0.063 nan 8.290 nan 0.000 0.536 139 V N 0.405 120.225 119.914 -0.157 0.000 2.588 139 V HA 0.669 4.789 4.120 0.001 0.000 0.304 139 V C -1.055 174.847 176.094 -0.320 0.000 1.042 139 V CA -0.548 61.439 62.300 -0.521 0.000 0.877 139 V CB 1.829 33.393 31.823 -0.432 0.000 0.996 139 V HN 0.902 nan 8.190 nan 0.000 0.425 140 D N 3.664 123.834 120.400 -0.383 0.000 2.502 140 D HA 0.549 5.189 4.640 0.001 0.000 0.249 140 D C -1.009 175.277 176.300 -0.024 0.000 1.092 140 D CA -0.397 53.529 54.000 -0.123 0.000 0.839 140 D CB 1.323 42.076 40.800 -0.079 0.000 1.264 140 D HN 0.273 nan 8.370 nan 0.000 0.511 141 I N 3.199 123.834 120.570 0.108 0.000 2.339 141 I HA 0.267 4.437 4.170 0.001 0.000 0.290 141 I C -0.491 175.798 176.117 0.287 0.000 0.994 141 I CA -0.671 60.774 61.300 0.242 0.000 1.191 141 I CB 1.406 39.618 38.000 0.354 0.000 1.343 141 I HN 0.390 nan 8.210 nan 0.000 0.458 142 D N 6.157 126.725 120.400 0.279 0.000 2.863 142 D HA 0.083 4.724 4.640 0.001 0.000 0.323 142 D C -0.446 175.854 176.300 0.001 0.000 1.286 142 D CA -0.127 53.974 54.000 0.168 0.000 0.921 142 D CB 0.257 41.191 40.800 0.222 0.000 1.024 142 D HN 0.346 nan 8.370 nan 0.000 0.505 143 W N 2.076 123.246 121.300 -0.217 0.000 2.358 143 W HA 0.287 4.947 4.660 0.001 0.000 0.307 143 W C -0.481 175.628 176.519 -0.683 0.000 1.203 143 W CA -0.957 56.106 57.345 -0.471 0.000 1.279 143 W CB 0.297 29.533 29.460 -0.373 0.000 1.264 143 W HN 0.104 nan 8.180 nan 0.000 0.474 144 E N 6.584 126.492 120.200 -0.487 0.000 2.267 144 E HA 0.247 4.597 4.350 0.001 0.000 0.241 144 E C -1.485 174.697 176.600 -0.696 0.000 0.950 144 E CA -0.294 55.264 56.400 -1.403 0.000 0.776 144 E CB 0.783 29.727 29.700 -1.261 0.000 1.207 144 E HN 0.272 nan 8.360 nan 0.000 0.436 145 Y N 0.372 120.575 120.300 -0.163 0.000 2.571 145 Y HA 0.320 4.870 4.550 0.001 0.000 0.341 145 Y C -2.452 173.016 175.900 -0.720 0.000 1.076 145 Y CA -2.839 55.008 58.100 -0.422 0.000 1.029 145 Y CB 1.454 39.808 38.460 -0.176 0.000 1.308 145 Y HN 0.283 nan 8.280 nan 0.000 0.461 146 P HA 0.085 nan 4.420 nan 0.000 0.269 146 P C -1.131 175.897 177.300 -0.454 0.000 1.209 146 P CA -0.123 62.102 63.100 -1.458 0.000 0.776 146 P CB 0.717 31.246 31.700 -1.951 0.000 0.876 147 Q N 1.972 121.637 119.800 -0.225 0.000 2.456 147 Q HA 0.564 4.905 4.340 0.001 0.000 0.284 147 Q C 0.196 176.190 176.000 -0.010 0.000 1.061 147 Q CA -0.487 55.296 55.803 -0.033 0.000 0.799 147 Q CB 1.808 30.578 28.738 0.053 0.000 1.445 147 Q HN 0.466 nan 8.270 nan 0.000 0.411 148 A N 1.400 124.227 122.820 0.011 0.000 5.273 148 A HA -0.397 3.924 4.320 0.001 0.000 0.350 148 A C 1.423 179.018 177.584 0.019 0.000 1.652 148 A CA 2.622 54.668 52.037 0.016 0.000 0.709 148 A CB -2.239 16.777 19.000 0.026 0.000 1.486 148 A HN 1.533 nan 8.150 nan 0.000 0.411 149 A N -1.145 121.693 122.820 0.030 0.000 2.172 149 A HA 0.096 4.416 4.320 0.001 0.000 0.216 149 A C 1.658 179.271 177.584 0.048 0.000 1.154 149 A CA 2.009 54.068 52.037 0.038 0.000 0.701 149 A CB -0.662 18.362 19.000 0.041 0.000 0.789 149 A HN 0.749 nan 8.150 nan 0.000 0.465 150 E N -0.656 119.568 120.200 0.040 0.000 2.230 150 E HA -0.027 4.323 4.350 0.001 0.000 0.192 150 E C 1.773 178.386 176.600 0.021 0.000 0.987 150 E CA 0.673 57.105 56.400 0.053 0.000 0.841 150 E CB -0.063 29.661 29.700 0.040 0.000 0.783 150 E HN 0.395 nan 8.360 nan 0.000 0.481 151 V N 2.047 121.956 119.914 -0.009 0.000 2.287 151 V HA -0.293 3.827 4.120 0.001 0.000 0.248 151 V C 1.643 177.810 176.094 0.121 0.000 1.053 151 V CA 2.024 64.350 62.300 0.043 0.000 1.027 151 V CB -0.430 31.421 31.823 0.047 0.000 0.646 151 V HN 0.252 nan 8.190 nan 0.000 0.447 152 D N 0.651 121.101 120.400 0.083 0.000 2.117 152 D HA -0.116 4.525 4.640 0.001 0.000 0.197 152 D C 2.220 178.575 176.300 0.092 0.000 0.987 152 D CA 1.701 55.746 54.000 0.075 0.000 0.829 152 D CB -0.591 40.241 40.800 0.053 0.000 0.961 152 D HN 0.492 nan 8.370 nan 0.000 0.460 153 G N 0.220 109.089 108.800 0.115 0.000 2.418 153 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 153 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 153 G C 1.479 176.495 174.900 0.194 0.000 1.158 153 G CA 0.314 45.493 45.100 0.133 0.000 0.771 153 G HN 0.221 nan 8.290 nan 0.000 0.545 154 F N 1.541 121.520 119.950 0.049 0.000 2.095 154 F HA -0.023 4.504 4.527 0.001 0.000 0.298 154 F C 2.455 178.277 175.800 0.037 0.000 1.104 154 F CA 1.128 59.160 58.000 0.054 0.000 1.232 154 F CB -0.294 38.646 39.000 -0.100 0.000 0.987 154 F HN 0.110 nan 8.300 nan 0.000 0.475 155 I N 0.228 120.799 120.570 0.001 0.000 2.226 155 I HA -0.315 3.855 4.170 0.001 0.000 0.245 155 I C 2.656 178.721 176.117 -0.088 0.000 1.100 155 I CA 1.323 62.553 61.300 -0.118 0.000 1.374 155 I CB -0.931 37.061 38.000 -0.013 0.000 1.057 155 I HN 0.238 nan 8.210 nan 0.000 0.413 156 A N 0.538 123.351 122.820 -0.011 0.000 1.969 156 A HA -0.096 4.224 4.320 0.001 0.000 0.218 156 A C 2.503 180.090 177.584 0.004 0.000 1.169 156 A CA 1.657 53.696 52.037 0.003 0.000 0.635 156 A CB -0.671 18.347 19.000 0.031 0.000 0.810 156 A HN 0.437 nan 8.150 nan 0.000 0.445 157 A N -0.197 122.636 122.820 0.021 0.000 1.930 157 A HA 0.036 4.356 4.320 0.001 0.000 0.217 157 A C 2.121 179.710 177.584 0.007 0.000 1.175 157 A CA 1.309 53.391 52.037 0.075 0.000 0.627 157 A CB -0.516 18.594 19.000 0.184 0.000 0.815 157 A HN 0.461 nan 8.150 nan 0.000 0.443 158 L N -0.776 120.368 121.223 -0.131 0.000 2.046 158 L HA -0.213 4.127 4.340 0.001 0.000 0.208 158 L C 2.877 179.692 176.870 -0.092 0.000 1.077 158 L CA 1.121 55.863 54.840 -0.163 0.000 0.747 158 L CB -0.546 41.322 42.059 -0.318 0.000 0.896 158 L HN 0.374 nan 8.230 nan 0.000 0.432 159 Q N -0.132 119.622 119.800 -0.077 0.000 2.084 159 Q HA -0.253 4.088 4.340 0.001 0.000 0.202 159 Q C 2.108 178.091 176.000 -0.028 0.000 0.978 159 Q CA 1.582 57.358 55.803 -0.046 0.000 0.844 159 Q CB -0.170 28.548 28.738 -0.034 0.000 0.898 159 Q HN 0.411 nan 8.270 nan 0.000 0.426 160 E N 0.812 121.002 120.200 -0.016 0.000 2.106 160 E HA -0.099 4.251 4.350 0.001 0.000 0.192 160 E C 1.886 178.471 176.600 -0.024 0.000 0.984 160 E CA 0.853 57.249 56.400 -0.007 0.000 0.806 160 E CB -0.241 29.469 29.700 0.017 0.000 0.750 160 E HN 0.362 nan 8.360 nan 0.000 0.458 161 I N 0.110 120.659 120.570 -0.035 0.000 2.252 161 I HA -0.221 3.949 4.170 0.001 0.000 0.245 161 I C 2.494 178.586 176.117 -0.042 0.000 1.102 161 I CA 1.059 62.323 61.300 -0.060 0.000 1.385 161 I CB -0.331 37.623 38.000 -0.077 0.000 1.064 161 I HN 0.088 nan 8.210 nan 0.000 0.414 162 R N 1.652 122.131 120.500 -0.035 0.000 2.096 162 R HA -0.214 4.126 4.340 0.001 0.000 0.240 162 R C 2.352 178.646 176.300 -0.009 0.000 1.139 162 R CA 2.758 58.845 56.100 -0.022 0.000 0.952 162 R CB -1.434 28.848 30.300 -0.030 0.000 0.854 162 R HN 0.525 nan 8.270 nan 0.000 0.436 163 T N -1.083 113.464 114.554 -0.012 0.000 2.746 163 T HA -0.099 4.251 4.350 0.001 0.000 0.267 163 T C 2.055 176.755 174.700 -0.000 0.000 1.039 163 T CA 1.623 63.721 62.100 -0.004 0.000 1.142 163 T CB -0.417 68.447 68.868 -0.006 0.000 0.866 163 T HN 0.272 nan 8.240 nan 0.000 0.444 164 L N 0.149 121.365 121.223 -0.011 0.000 2.141 164 L HA 0.098 4.438 4.340 0.001 0.000 0.209 164 L C 2.847 179.716 176.870 -0.002 0.000 1.094 164 L CA 0.886 55.717 54.840 -0.015 0.000 0.763 164 L CB -0.610 41.425 42.059 -0.039 0.000 0.908 164 L HN 0.273 nan 8.230 nan 0.000 0.437 165 L N -0.301 120.926 121.223 0.007 0.000 2.027 165 L HA -0.185 4.155 4.340 0.001 0.000 0.206 165 L C 2.386 179.333 176.870 0.128 0.000 1.074 165 L CA 1.049 55.923 54.840 0.056 0.000 0.745 165 L CB -0.580 41.519 42.059 0.067 0.000 0.898 165 L HN 0.330 nan 8.230 nan 0.000 0.433 166 N N -0.102 118.645 118.700 0.078 0.000 2.104 166 N HA -0.248 4.492 4.740 0.001 0.000 0.190 166 N C 1.793 177.346 175.510 0.072 0.000 1.024 166 N CA 1.191 54.283 53.050 0.070 0.000 0.853 166 N CB -0.269 38.238 38.487 0.033 0.000 1.008 166 N HN 0.357 nan 8.380 nan 0.000 0.424 167 Q N 0.364 120.196 119.800 0.054 0.000 2.084 167 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 167 Q C 1.907 177.950 176.000 0.072 0.000 0.978 167 Q CA 1.459 57.290 55.803 0.046 0.000 0.844 167 Q CB -0.012 28.741 28.738 0.025 0.000 0.898 167 Q HN 0.218 nan 8.270 nan 0.000 0.426 168 Q N -0.635 119.222 119.800 0.095 0.000 2.224 168 Q HA -0.092 4.248 4.340 0.001 0.000 0.203 168 Q C 1.700 177.880 176.000 0.300 0.000 0.970 168 Q CA 1.891 57.777 55.803 0.138 0.000 0.865 168 Q CB -0.189 28.565 28.738 0.027 0.000 0.922 168 Q HN 0.350 nan 8.270 nan 0.000 0.445 169 T N 0.779 115.516 114.554 0.305 0.000 2.708 169 T HA -0.100 4.250 4.350 0.001 0.000 0.266 169 T C 1.504 176.249 174.700 0.074 0.000 1.037 169 T CA 1.265 63.468 62.100 0.172 0.000 1.146 169 T CB -0.123 68.788 68.868 0.072 0.000 0.865 169 T HN 0.201 nan 8.240 nan 0.000 0.435 170 I N 1.733 122.342 120.570 0.065 0.000 2.099 170 I HA -0.152 4.018 4.170 0.001 0.000 0.239 170 I C 2.693 178.836 176.117 0.042 0.000 1.066 170 I CA 1.614 62.936 61.300 0.036 0.000 1.324 170 I CB -1.986 36.032 38.000 0.030 0.000 1.037 170 I HN 0.242 nan 8.210 nan 0.000 0.401 171 T N 0.898 115.487 114.554 0.058 0.000 2.721 171 T HA -0.213 4.138 4.350 0.001 0.000 0.268 171 T C 1.220 175.956 174.700 0.059 0.000 1.038 171 T CA 1.913 64.044 62.100 0.053 0.000 1.145 171 T CB -0.319 68.582 68.868 0.056 0.000 0.858 171 T HN 0.300 nan 8.240 nan 0.000 0.459 172 D N -0.247 120.208 120.400 0.092 0.000 2.349 172 D HA 0.307 4.948 4.640 0.001 0.000 0.214 172 D C 1.204 177.521 176.300 0.028 0.000 1.063 172 D CA 0.393 54.444 54.000 0.085 0.000 0.847 172 D CB -0.139 40.771 40.800 0.184 0.000 0.933 172 D HN 0.386 nan 8.370 nan 0.000 0.513 173 G N 1.662 110.469 108.800 0.012 0.000 2.338 173 G HA2 -0.331 3.630 3.960 0.001 0.000 0.296 173 G HA3 -0.331 3.630 3.960 0.001 0.000 0.296 173 G C 0.721 175.593 174.900 -0.047 0.000 1.040 173 G CA -0.177 44.915 45.100 -0.014 0.000 1.004 173 G HN 0.189 nan 8.290 nan 0.000 0.509 174 R N -0.712 119.736 120.500 -0.087 0.000 2.586 174 R HA 0.153 4.493 4.340 0.001 0.000 0.306 174 R C 1.901 178.110 176.300 -0.153 0.000 1.079 174 R CA 0.038 56.032 56.100 -0.177 0.000 1.083 174 R CB 0.289 30.342 30.300 -0.412 0.000 1.306 174 R HN 0.557 nan 8.270 nan 0.000 0.567 175 Q N 0.247 119.994 119.800 -0.087 0.000 2.234 175 Q HA -0.065 4.275 4.340 0.001 0.000 0.206 175 Q C 1.866 177.827 176.000 -0.066 0.000 0.980 175 Q CA 1.893 57.657 55.803 -0.065 0.000 0.869 175 Q CB -0.134 28.581 28.738 -0.040 0.000 0.912 175 Q HN 0.304 nan 8.270 nan 0.000 0.436 176 A N -0.759 122.020 122.820 -0.068 0.000 2.167 176 A HA 0.141 4.461 4.320 0.001 0.000 0.214 176 A C 0.571 178.113 177.584 -0.069 0.000 1.151 176 A CA 0.440 52.443 52.037 -0.057 0.000 0.735 176 A CB 0.322 19.294 19.000 -0.048 0.000 0.802 176 A HN 0.268 nan 8.150 nan 0.000 0.467 177 L N -0.188 120.971 121.223 -0.107 0.000 2.409 177 L HA 0.349 4.689 4.340 0.001 0.000 0.262 177 L C -3.041 173.706 176.870 -0.206 0.000 1.346 177 L CA -1.473 53.294 54.840 -0.120 0.000 0.848 177 L CB 1.430 43.424 42.059 -0.109 0.000 1.006 177 L HN -0.155 nan 8.230 nan 0.000 0.505 178 P HA 0.095 nan 4.420 nan 0.000 0.265 178 P C -0.983 176.234 177.300 -0.137 0.000 1.193 178 P CA 0.279 63.270 63.100 -0.181 0.000 0.765 178 P CB 0.118 31.777 31.700 -0.069 0.000 0.823 179 Y N 1.244 121.565 120.300 0.034 0.000 2.610 179 Y HA 0.082 4.633 4.550 0.001 0.000 0.332 179 Y C 1.416 177.340 175.900 0.040 0.000 1.201 179 Y CA 0.810 58.940 58.100 0.050 0.000 1.465 179 Y CB 0.003 38.494 38.460 0.052 0.000 1.283 179 Y HN 0.346 nan 8.280 nan 0.000 0.563 180 Q N 1.929 121.860 119.800 0.217 0.000 2.359 180 Q HA 0.667 5.008 4.340 0.001 0.000 0.275 180 Q C -1.598 174.453 176.000 0.085 0.000 1.082 180 Q CA -1.382 54.500 55.803 0.131 0.000 0.849 180 Q CB 2.688 31.524 28.738 0.164 0.000 1.377 180 Q HN 0.542 nan 8.270 nan 0.000 0.452 181 L N 0.816 122.059 121.223 0.034 0.000 2.409 181 L HA 0.638 4.978 4.340 0.001 0.000 0.272 181 L C -1.105 175.769 176.870 0.005 0.000 0.980 181 L CA 0.098 54.936 54.840 -0.003 0.000 0.826 181 L CB 2.112 44.156 42.059 -0.025 0.000 1.268 181 L HN 0.825 nan 8.230 nan 0.000 0.407 182 T N 2.919 117.483 114.554 0.016 0.000 2.841 182 T HA 0.807 5.158 4.350 0.001 0.000 0.296 182 T C -0.454 174.289 174.700 0.073 0.000 1.166 182 T CA -0.596 61.538 62.100 0.057 0.000 1.007 182 T CB 1.499 70.419 68.868 0.087 0.000 1.253 182 T HN 0.866 nan 8.240 nan 0.000 0.511 183 I N -1.755 118.886 120.570 0.118 0.000 3.074 183 I HA 0.908 5.078 4.170 0.001 0.000 0.310 183 I C -0.871 175.365 176.117 0.198 0.000 1.153 183 I CA -1.880 59.525 61.300 0.175 0.000 0.993 183 I CB 1.895 40.027 38.000 0.220 0.000 1.237 183 I HN 0.956 nan 8.210 nan 0.000 0.443 184 A N 2.409 125.371 122.820 0.237 0.000 2.274 184 A HA 0.818 5.138 4.320 0.001 0.000 0.309 184 A C 0.056 177.791 177.584 0.252 0.000 1.226 184 A CA -0.159 52.027 52.037 0.249 0.000 0.853 184 A CB 0.551 19.719 19.000 0.279 0.000 1.146 184 A HN 1.101 nan 8.150 nan 0.000 0.518 185 G N 0.553 109.501 108.800 0.247 0.000 2.454 185 G HA2 0.649 4.609 3.960 0.001 0.000 0.329 185 G HA3 0.649 4.609 3.960 0.001 0.000 0.329 185 G C 0.149 175.215 174.900 0.277 0.000 1.177 185 G CA -0.053 45.244 45.100 0.328 0.000 0.951 185 G HN 1.360 nan 8.290 nan 0.000 0.485 186 A N -0.465 122.455 122.820 0.166 0.000 2.483 186 A HA 0.532 4.852 4.320 0.001 0.000 0.238 186 A C 1.419 178.993 177.584 -0.016 0.000 1.070 186 A CA 0.560 52.510 52.037 -0.146 0.000 0.770 186 A CB 0.540 19.207 19.000 -0.555 0.000 1.008 186 A HN 1.433 nan 8.150 nan 0.000 0.497 187 G N 0.836 109.602 108.800 -0.056 0.000 3.044 187 G HA2 0.439 4.399 3.960 0.001 0.000 0.223 187 G HA3 0.439 4.399 3.960 0.001 0.000 0.223 187 G C 0.545 175.420 174.900 -0.041 0.000 1.123 187 G CA 0.678 45.737 45.100 -0.068 0.000 0.765 187 G HN 1.180 nan 8.290 nan 0.000 0.546 188 G N -0.828 107.955 108.800 -0.029 0.000 2.448 188 G HA2 0.520 4.481 3.960 0.001 0.000 0.324 188 G HA3 0.520 4.481 3.960 0.001 0.000 0.324 188 G C 0.919 175.735 174.900 -0.140 0.000 1.203 188 G CA 0.334 45.415 45.100 -0.033 0.000 0.954 188 G HN 0.258 nan 8.290 nan 0.000 0.480 189 A N 1.518 124.184 122.820 -0.257 0.000 1.940 189 A HA -0.007 4.313 4.320 0.001 0.000 0.219 189 A C 1.941 179.185 177.584 -0.566 0.000 1.176 189 A CA 1.554 53.285 52.037 -0.510 0.000 0.631 189 A CB -0.546 18.075 19.000 -0.631 0.000 0.814 189 A HN 0.600 nan 8.150 nan 0.000 0.446 190 F N -1.266 118.546 119.950 -0.229 0.000 2.046 190 F HA -0.147 4.380 4.527 0.001 0.000 0.297 190 F C 2.095 177.686 175.800 -0.347 0.000 1.123 190 F CA 1.684 59.507 58.000 -0.296 0.000 1.199 190 F CB -1.001 37.792 39.000 -0.344 0.000 0.972 190 F HN 0.218 nan 8.300 nan 0.000 0.474 191 F N -0.631 119.267 119.950 -0.087 0.000 2.259 191 F HA -0.102 4.425 4.527 0.001 0.000 0.298 191 F C 2.200 177.740 175.800 -0.433 0.000 1.088 191 F CA 0.593 58.451 58.000 -0.237 0.000 1.358 191 F CB -1.005 37.766 39.000 -0.381 0.000 1.040 191 F HN -0.093 nan 8.300 nan 0.000 0.505 192 L N 0.357 121.380 121.223 -0.334 0.000 2.083 192 L HA -0.196 4.145 4.340 0.001 0.000 0.209 192 L C 2.567 179.028 176.870 -0.681 0.000 1.083 192 L CA 2.068 56.529 54.840 -0.633 0.000 0.752 192 L CB -1.200 40.556 42.059 -0.504 0.000 0.899 192 L HN 0.185 nan 8.230 nan 0.000 0.433 193 S N -0.903 114.494 115.700 -0.505 0.000 2.440 193 S HA -0.254 4.216 4.470 0.001 0.000 0.238 193 S C 2.057 176.489 174.600 -0.279 0.000 1.010 193 S CA 1.061 59.005 58.200 -0.426 0.000 0.972 193 S CB -0.740 62.228 63.200 -0.386 0.000 0.774 193 S HN 0.559 nan 8.310 nan 0.000 0.501 194 R N 0.480 120.849 120.500 -0.219 0.000 2.117 194 R HA -0.126 4.214 4.340 0.001 0.000 0.243 194 R C 1.732 178.031 176.300 -0.002 0.000 1.143 194 R CA 1.991 58.060 56.100 -0.051 0.000 0.968 194 R CB -0.395 29.970 30.300 0.109 0.000 0.863 194 R HN 0.924 nan 8.270 nan 0.000 0.444 195 Y N -5.461 114.793 120.300 -0.077 0.000 2.610 195 Y HA 0.222 4.772 4.550 0.001 0.000 0.254 195 Y C 1.346 177.226 175.900 -0.034 0.000 1.110 195 Y CA -1.185 56.875 58.100 -0.066 0.000 1.238 195 Y CB -0.674 37.732 38.460 -0.090 0.000 1.322 195 Y HN -0.140 nan 8.280 nan 0.000 0.547 196 Y N 2.974 122.974 120.300 -0.501 0.000 2.062 196 Y HA -0.387 4.164 4.550 0.001 0.000 0.276 196 Y C 2.780 178.550 175.900 -0.216 0.000 1.189 196 Y CA 2.839 60.685 58.100 -0.423 0.000 1.130 196 Y CB -0.724 37.440 38.460 -0.494 0.000 0.959 196 Y HN 0.369 nan 8.280 nan 0.000 0.499 197 S N -0.675 114.905 115.700 -0.200 0.000 2.440 197 S HA -0.220 4.250 4.470 0.001 0.000 0.240 197 S C 1.394 175.894 174.600 -0.167 0.000 1.014 197 S CA 1.681 59.733 58.200 -0.247 0.000 0.980 197 S CB -0.482 62.619 63.200 -0.165 0.000 0.775 197 S HN 0.605 nan 8.310 nan 0.000 0.499 198 K N 0.210 120.562 120.400 -0.081 0.000 2.514 198 K HA 0.426 4.746 4.320 0.001 0.000 0.207 198 K C 1.013 177.620 176.600 0.012 0.000 1.035 198 K CA -0.214 56.064 56.287 -0.016 0.000 1.113 198 K CB 0.103 32.626 32.500 0.038 0.000 0.846 198 K HN 0.260 nan 8.250 nan 0.000 0.491 199 L N 0.805 121.996 121.223 -0.053 0.000 2.013 199 L HA -0.297 4.043 4.340 0.001 0.000 0.212 199 L C 2.443 179.328 176.870 0.024 0.000 1.073 199 L CA 1.756 56.601 54.840 0.009 0.000 0.753 199 L CB -0.399 41.587 42.059 -0.123 0.000 0.890 199 L HN 0.343 nan 8.230 nan 0.000 0.432 200 A N -0.832 121.979 122.820 -0.014 0.000 1.908 200 A HA -0.283 4.037 4.320 0.001 0.000 0.218 200 A C 2.135 179.725 177.584 0.010 0.000 1.181 200 A CA 1.799 53.839 52.037 0.005 0.000 0.627 200 A CB -0.514 18.485 19.000 -0.002 0.000 0.818 200 A HN 0.533 nan 8.150 nan 0.000 0.445 201 Q N -0.788 119.018 119.800 0.009 0.000 2.119 201 Q HA -0.079 4.261 4.340 0.001 0.000 0.201 201 Q C 2.037 178.034 176.000 -0.004 0.000 0.972 201 Q CA 1.401 57.207 55.803 0.005 0.000 0.847 201 Q CB -0.274 28.470 28.738 0.010 0.000 0.903 201 Q HN 0.753 nan 8.270 nan 0.000 0.433 202 I N -0.244 120.337 120.570 0.020 0.000 2.252 202 I HA -0.231 3.940 4.170 0.001 0.000 0.245 202 I C 2.077 178.187 176.117 -0.011 0.000 1.102 202 I CA 0.822 62.123 61.300 0.001 0.000 1.385 202 I CB -0.061 37.997 38.000 0.097 0.000 1.064 202 I HN 0.017 nan 8.210 nan 0.000 0.414 203 V N 0.831 120.764 119.914 0.032 0.000 2.667 203 V HA -0.181 3.939 4.120 0.001 0.000 0.252 203 V C 2.659 178.752 176.094 -0.003 0.000 1.065 203 V CA 1.425 63.745 62.300 0.032 0.000 1.083 203 V CB -0.824 31.042 31.823 0.071 0.000 0.692 203 V HN 0.457 nan 8.190 nan 0.000 0.468 204 A N 1.474 124.288 122.820 -0.010 0.000 1.903 204 A HA -0.179 4.141 4.320 0.001 0.000 0.219 204 A C 0.689 178.252 177.584 -0.035 0.000 1.191 204 A CA 2.411 54.436 52.037 -0.020 0.000 0.638 204 A CB -1.839 17.151 19.000 -0.017 0.000 0.823 204 A HN 0.602 nan 8.150 nan 0.000 0.451 205 P HA 0.165 nan 4.420 nan 0.000 0.249 205 P C 0.022 177.287 177.300 -0.059 0.000 1.229 205 P CA 0.321 63.388 63.100 -0.054 0.000 0.788 205 P CB -0.078 31.582 31.700 -0.068 0.000 1.072 206 L N -0.122 121.067 121.223 -0.057 0.000 2.399 206 L HA 0.308 4.648 4.340 0.001 0.000 0.265 206 L C 1.472 178.274 176.870 -0.114 0.000 1.089 206 L CA -0.634 54.170 54.840 -0.060 0.000 0.802 206 L CB 0.695 42.741 42.059 -0.022 0.000 1.180 206 L HN -0.275 nan 8.230 nan 0.000 0.454 207 D N -0.103 120.199 120.400 -0.164 0.000 2.183 207 D HA 0.020 4.661 4.640 0.001 0.000 0.205 207 D C -0.549 175.351 176.300 -0.668 0.000 0.962 207 D CA 1.619 55.373 54.000 -0.409 0.000 0.849 207 D CB 0.448 41.032 40.800 -0.361 0.000 0.978 207 D HN 0.294 nan 8.370 nan 0.000 0.488 208 Y N -0.835 119.455 120.300 -0.016 0.000 2.581 208 Y HA 0.407 4.957 4.550 0.000 0.000 0.337 208 Y C -0.746 175.155 175.900 0.001 0.000 1.108 208 Y CA -0.970 57.117 58.100 -0.021 0.000 1.033 208 Y CB 1.986 40.406 38.460 -0.068 0.000 1.318 208 Y HN -0.291 nan 8.280 nan 0.000 0.459 209 I N 3.050 123.743 120.570 0.204 0.000 2.382 209 I HA 0.463 4.633 4.170 0.001 0.000 0.286 209 I C -1.324 174.861 176.117 0.114 0.000 1.002 209 I CA -0.673 60.718 61.300 0.151 0.000 1.135 209 I CB 0.644 38.737 38.000 0.155 0.000 1.288 209 I HN 0.597 nan 8.210 nan 0.000 0.448 210 N N 8.914 127.682 118.700 0.113 0.000 2.437 210 N HA 0.331 5.071 4.740 0.001 0.000 0.243 210 N C -0.751 174.806 175.510 0.079 0.000 1.041 210 N CA -0.250 52.852 53.050 0.087 0.000 0.940 210 N CB 1.522 40.086 38.487 0.128 0.000 1.133 210 N HN 0.562 nan 8.380 nan 0.000 0.506 211 L N 2.116 123.337 121.223 -0.004 0.000 2.360 211 L HA 0.287 4.628 4.340 0.001 0.000 0.276 211 L C 1.060 177.846 176.870 -0.140 0.000 1.121 211 L CA -0.126 54.669 54.840 -0.076 0.000 0.845 211 L CB 0.379 42.327 42.059 -0.185 0.000 1.143 211 L HN 0.340 nan 8.230 nan 0.000 0.452 212 M N 3.165 122.640 119.600 -0.209 0.000 3.596 212 M HA 0.051 4.532 4.480 0.001 0.000 0.219 212 M C 0.342 176.154 176.300 -0.813 0.000 1.471 212 M CA -0.119 54.803 55.300 -0.630 0.000 1.644 212 M CB -0.565 31.850 32.600 -0.308 0.000 1.083 212 M HN 0.543 nan 8.290 nan 0.000 0.579 213 T N 0.026 114.204 114.554 -0.626 0.000 4.475 213 T HA 0.287 4.638 4.350 0.001 0.000 0.254 213 T C -0.556 174.045 174.700 -0.164 0.000 1.160 213 T CA -0.227 61.690 62.100 -0.304 0.000 1.091 213 T CB -1.144 67.651 68.868 -0.121 0.000 1.377 213 T HN 0.512 nan 8.240 nan 0.000 1.057 214 Y N -2.790 117.572 120.300 0.103 0.000 2.788 214 Y HA 0.512 5.062 4.550 0.000 0.000 0.335 214 Y C -0.304 175.698 175.900 0.170 0.000 1.287 214 Y CA -1.951 56.219 58.100 0.118 0.000 1.068 214 Y CB -0.024 38.505 38.460 0.116 0.000 1.340 214 Y HN 0.135 nan 8.280 nan 0.000 0.449 215 D N 0.061 120.747 120.400 0.476 0.000 2.945 215 D HA -0.165 4.475 4.640 0.001 0.000 0.225 215 D C 0.490 177.022 176.300 0.386 0.000 1.158 215 D CA 1.112 55.384 54.000 0.452 0.000 0.805 215 D CB -1.039 40.056 40.800 0.492 0.000 1.098 215 D HN 0.724 nan 8.370 nan 0.000 0.426 216 L N -1.167 120.210 121.223 0.257 0.000 2.599 216 L HA 0.240 4.580 4.340 0.001 0.000 0.230 216 L C 1.173 178.136 176.870 0.155 0.000 1.141 216 L CA 0.755 55.691 54.840 0.159 0.000 0.877 216 L CB -0.016 42.082 42.059 0.066 0.000 1.009 216 L HN 0.198 nan 8.230 nan 0.000 0.447 217 A N -0.679 122.263 122.820 0.203 0.000 2.539 217 A HA 0.832 5.152 4.320 0.001 0.000 0.296 217 A C -0.384 177.186 177.584 -0.025 0.000 1.073 217 A CA 0.009 52.133 52.037 0.146 0.000 0.700 217 A CB 1.736 20.838 19.000 0.170 0.000 1.296 217 A HN 0.086 nan 8.150 nan 0.000 0.405 218 G N -0.022 108.533 108.800 -0.408 0.000 2.506 218 G HA2 0.598 4.559 3.960 0.001 0.000 0.292 218 G HA3 0.598 4.559 3.960 0.001 0.000 0.292 218 G C -2.540 171.724 174.900 -1.060 0.000 1.425 218 G CA -0.211 44.146 45.100 -1.238 0.000 0.788 218 G HN 0.380 nan 8.290 nan 0.000 0.490 219 P HA -0.138 nan 4.420 nan 0.000 0.217 219 P C 1.510 178.794 177.300 -0.027 0.000 1.148 219 P CA 2.047 64.933 63.100 -0.358 0.000 0.834 219 P CB -0.120 31.477 31.700 -0.173 0.000 0.783 220 W N 0.283 121.674 121.300 0.152 0.000 2.538 220 W HA 0.097 4.758 4.660 0.000 0.000 0.254 220 W C 0.357 176.973 176.519 0.162 0.000 1.249 220 W CA -0.063 57.360 57.345 0.130 0.000 1.253 220 W CB -1.305 28.196 29.460 0.068 0.000 1.130 220 W HN -0.170 nan 8.180 nan 0.000 0.618 221 E N 0.897 121.166 120.200 0.115 0.000 2.277 221 E HA 0.227 4.578 4.350 0.001 0.000 0.274 221 E C 1.351 178.115 176.600 0.273 0.000 1.022 221 E CA 0.370 56.916 56.400 0.245 0.000 0.853 221 E CB 1.336 31.174 29.700 0.230 0.000 1.086 221 E HN 0.175 nan 8.360 nan 0.000 0.397 222 K N 1.472 121.964 120.400 0.153 0.000 2.217 222 K HA 0.056 4.376 4.320 0.001 0.000 0.202 222 K C 0.913 177.550 176.600 0.061 0.000 1.051 222 K CA 0.837 57.156 56.287 0.054 0.000 0.952 222 K CB 0.024 32.513 32.500 -0.018 0.000 0.736 222 K HN 0.243 nan 8.250 nan 0.000 0.453 223 V N 2.007 121.967 119.914 0.076 0.000 2.555 223 V HA 0.334 4.454 4.120 0.001 0.000 0.302 223 V C 0.365 176.405 176.094 -0.090 0.000 1.038 223 V CA -0.656 61.647 62.300 0.005 0.000 0.887 223 V CB 1.621 33.406 31.823 -0.065 0.000 0.991 223 V HN 0.539 nan 8.190 nan 0.000 0.434 224 T N 1.589 115.947 114.554 -0.327 0.000 2.926 224 T HA 0.463 4.814 4.350 0.001 0.000 0.307 224 T C -0.228 174.072 174.700 -0.667 0.000 1.059 224 T CA -0.185 61.349 62.100 -0.943 0.000 1.122 224 T CB 0.952 69.018 68.868 -1.336 0.000 0.972 224 T HN 0.745 nan 8.240 nan 0.000 0.545 225 N N -0.797 117.527 118.700 -0.627 0.000 3.127 225 N HA 0.168 4.908 4.740 0.001 0.000 0.239 225 N C -1.746 173.687 175.510 -0.129 0.000 1.407 225 N CA -0.699 52.186 53.050 -0.276 0.000 0.891 225 N CB 0.991 39.482 38.487 0.006 0.000 1.447 225 N HN 0.701 nan 8.380 nan 0.000 0.507 226 H N 1.254 120.398 119.070 0.124 0.000 2.764 226 H HA 0.072 4.629 4.556 0.001 0.000 0.341 226 H C 0.487 175.880 175.328 0.108 0.000 1.072 226 H CA 0.392 56.507 56.048 0.113 0.000 1.444 226 H CB 1.087 30.863 29.762 0.023 0.000 1.458 226 H HN 0.580 nan 8.280 nan 0.000 0.572 227 Q N 1.800 121.737 119.800 0.229 0.000 2.432 227 Q HA 0.223 4.563 4.340 0.001 0.000 0.205 227 Q C 0.297 176.401 176.000 0.173 0.000 0.945 227 Q CA 0.722 56.646 55.803 0.202 0.000 0.924 227 Q CB 0.752 29.621 28.738 0.219 0.000 1.016 227 Q HN 0.504 nan 8.270 nan 0.000 0.503 228 A N 0.525 123.427 122.820 0.137 0.000 3.106 228 A HA 0.668 4.989 4.320 0.001 0.000 0.227 228 A C -0.122 177.463 177.584 0.002 0.000 0.920 228 A CA -0.253 51.838 52.037 0.090 0.000 1.088 228 A CB 0.187 19.270 19.000 0.137 0.000 1.233 228 A HN 0.362 nan 8.150 nan 0.000 0.503 229 A N 0.119 122.936 122.820 -0.005 0.000 2.546 229 A HA 0.395 4.715 4.320 0.001 0.000 0.243 229 A C 1.169 178.647 177.584 -0.176 0.000 1.063 229 A CA 0.223 52.199 52.037 -0.102 0.000 0.757 229 A CB 0.052 19.035 19.000 -0.028 0.000 0.991 229 A HN 1.383 nan 8.150 nan 0.000 0.503 230 L N 3.119 124.164 121.223 -0.297 0.000 2.044 230 L HA 0.251 4.591 4.340 0.001 0.000 0.205 230 L C 0.044 176.500 176.870 -0.690 0.000 1.075 230 L CA 1.744 56.249 54.840 -0.558 0.000 0.747 230 L CB -0.410 41.233 42.059 -0.695 0.000 0.903 230 L HN 0.592 nan 8.230 nan 0.000 0.435 231 F N -1.101 118.779 119.950 -0.117 0.000 2.598 231 F HA 0.650 5.177 4.527 0.001 0.000 0.327 231 F C 0.924 176.696 175.800 -0.047 0.000 1.057 231 F CA -0.998 56.966 58.000 -0.061 0.000 0.957 231 F CB 0.552 39.527 39.000 -0.043 0.000 1.278 231 F HN -0.124 nan 8.300 nan 0.000 0.484 232 G N -0.039 108.896 108.800 0.224 0.000 2.503 232 G HA2 0.375 4.336 3.960 0.001 0.000 0.257 232 G HA3 0.375 4.336 3.960 0.001 0.000 0.257 232 G C -1.514 173.425 174.900 0.065 0.000 1.214 232 G CA -0.176 44.989 45.100 0.109 0.000 0.839 232 G HN 0.508 nan 8.290 nan 0.000 0.559 233 D N 0.865 121.280 120.400 0.024 0.000 2.381 233 D HA 0.449 5.089 4.640 0.001 0.000 0.235 233 D C 1.146 177.407 176.300 -0.064 0.000 1.068 233 D CA -0.178 53.824 54.000 0.004 0.000 0.832 233 D CB 1.644 42.483 40.800 0.065 0.000 1.101 233 D HN 0.291 nan 8.370 nan 0.000 0.515 234 A N 3.592 126.386 122.820 -0.044 0.000 2.024 234 A HA -0.074 4.246 4.320 0.001 0.000 0.220 234 A C 1.918 179.427 177.584 -0.125 0.000 1.164 234 A CA 1.939 53.938 52.037 -0.065 0.000 0.643 234 A CB -0.372 18.608 19.000 -0.033 0.000 0.806 234 A HN 0.620 nan 8.150 nan 0.000 0.451 235 A N -0.528 122.209 122.820 -0.138 0.000 2.119 235 A HA 0.418 4.739 4.320 0.001 0.000 0.216 235 A C 1.503 178.722 177.584 -0.608 0.000 1.152 235 A CA 0.903 52.821 52.037 -0.199 0.000 0.708 235 A CB -0.849 18.148 19.000 -0.006 0.000 0.805 235 A HN 0.706 nan 8.150 nan 0.000 0.460 236 G N 0.201 108.488 108.800 -0.855 0.000 2.616 236 G HA2 0.459 4.419 3.960 0.001 0.000 0.268 236 G HA3 0.459 4.419 3.960 0.001 0.000 0.268 236 G C -2.291 172.230 174.900 -0.631 0.000 1.213 236 G CA -1.082 43.195 45.100 -1.372 0.000 0.926 236 G HN 0.223 nan 8.290 nan 0.000 0.523 237 P HA 0.250 nan 4.420 nan 0.000 0.274 237 P C -0.198 176.985 177.300 -0.195 0.000 1.237 237 P CA -0.011 62.910 63.100 -0.299 0.000 0.793 237 P CB 1.139 32.679 31.700 -0.267 0.000 0.977 238 T N -1.816 112.584 114.554 -0.257 0.000 2.916 238 T HA 0.747 5.098 4.350 0.001 0.000 0.292 238 T C -0.760 173.806 174.700 -0.223 0.000 1.064 238 T CA -0.531 61.508 62.100 -0.101 0.000 1.011 238 T CB 0.962 69.800 68.868 -0.050 0.000 1.152 238 T HN 0.171 nan 8.240 nan 0.000 0.510 239 F N -0.188 119.709 119.950 -0.087 0.000 2.603 239 F HA 0.517 5.045 4.527 0.001 0.000 0.317 239 F C -0.357 175.615 175.800 0.286 0.000 1.066 239 F CA -1.626 56.437 58.000 0.105 0.000 0.941 239 F CB 1.450 40.530 39.000 0.134 0.000 1.291 239 F HN 0.793 nan 8.300 nan 0.000 0.472 240 Y N 1.971 122.546 120.300 0.457 0.000 2.425 240 Y HA 0.141 4.692 4.550 0.001 0.000 0.331 240 Y C 0.581 176.669 175.900 0.314 0.000 1.157 240 Y CA -0.224 58.071 58.100 0.325 0.000 1.372 240 Y CB 0.426 39.034 38.460 0.246 0.000 1.253 240 Y HN 0.503 nan 8.280 nan 0.000 0.536 241 N N 5.411 123.785 118.700 -0.544 0.000 2.549 241 N HA 0.047 4.787 4.740 0.001 0.000 0.267 241 N C 0.649 175.564 175.510 -0.991 0.000 1.182 241 N CA 0.640 53.275 53.050 -0.692 0.000 1.019 241 N CB 0.642 38.699 38.487 -0.716 0.000 1.380 241 N HN 0.935 nan 8.380 nan 0.000 0.505 242 A N 4.174 126.528 122.820 -0.776 0.000 2.093 242 A HA -0.162 4.158 4.320 0.001 0.000 0.222 242 A C 2.120 179.299 177.584 -0.674 0.000 1.162 242 A CA 0.984 52.685 52.037 -0.560 0.000 0.655 242 A CB -0.350 18.279 19.000 -0.619 0.000 0.805 242 A HN 0.741 nan 8.150 nan 0.000 0.461 243 L N -0.605 120.003 121.223 -1.025 0.000 2.265 243 L HA -0.202 4.138 4.340 0.001 0.000 0.215 243 L C 2.458 178.569 176.870 -1.266 0.000 1.117 243 L CA 1.464 55.476 54.840 -1.379 0.000 0.782 243 L CB -0.531 40.212 42.059 -2.193 0.000 0.914 243 L HN 0.556 nan 8.230 nan 0.000 0.441 244 R N -0.500 119.462 120.500 -0.897 0.000 2.339 244 R HA -0.034 4.307 4.340 0.001 0.000 0.199 244 R C 0.825 177.020 176.300 -0.174 0.000 1.018 244 R CA 0.473 56.368 56.100 -0.341 0.000 1.036 244 R CB -0.180 30.047 30.300 -0.122 0.000 0.899 244 R HN 0.273 nan 8.270 nan 0.000 0.473 245 E N 0.892 120.963 120.200 -0.215 0.000 2.498 245 E HA 0.226 4.576 4.350 0.001 0.000 0.203 245 E C 0.130 176.641 176.600 -0.150 0.000 1.013 245 E CA -0.014 56.330 56.400 -0.092 0.000 0.927 245 E CB 0.957 30.653 29.700 -0.007 0.000 1.012 245 E HN 0.361 nan 8.360 nan 0.000 0.482 246 A N 1.655 124.322 122.820 -0.255 0.000 2.351 246 A HA 0.156 4.476 4.320 0.001 0.000 0.257 246 A C 0.550 178.027 177.584 -0.179 0.000 1.087 246 A CA -0.370 51.532 52.037 -0.225 0.000 0.798 246 A CB 0.056 18.894 19.000 -0.269 0.000 1.033 246 A HN 0.008 nan 8.150 nan 0.000 0.488 247 N N 1.709 120.328 118.700 -0.135 0.000 3.193 247 N HA 0.146 4.886 4.740 0.001 0.000 0.312 247 N C 0.457 175.873 175.510 -0.156 0.000 1.261 247 N CA 0.195 53.180 53.050 -0.108 0.000 1.208 247 N CB -0.685 37.766 38.487 -0.061 0.000 1.471 247 N HN 0.622 nan 8.380 nan 0.000 0.548 248 L N -0.006 121.054 121.223 -0.272 0.000 2.202 248 L HA 0.243 4.583 4.340 0.001 0.000 0.205 248 L C 1.536 178.251 176.870 -0.258 0.000 1.083 248 L CA 0.560 55.112 54.840 -0.480 0.000 0.790 248 L CB -0.216 41.139 42.059 -1.173 0.000 0.942 248 L HN 0.539 nan 8.230 nan 0.000 0.452 249 G N -1.295 107.455 108.800 -0.083 0.000 2.149 249 G HA2 -0.209 3.751 3.960 0.001 0.000 0.235 249 G HA3 -0.209 3.751 3.960 0.001 0.000 0.235 249 G C -0.384 174.722 174.900 0.343 0.000 1.018 249 G CA -0.466 44.705 45.100 0.119 0.000 0.728 249 G HN 0.083 nan 8.290 nan 0.000 0.508 250 W N 1.187 122.529 121.300 0.069 0.000 2.436 250 W HA 0.740 5.401 4.660 0.001 0.000 0.347 250 W C 1.147 177.718 176.519 0.087 0.000 1.136 250 W CA -0.941 56.441 57.345 0.062 0.000 1.286 250 W CB 0.754 30.242 29.460 0.047 0.000 1.253 250 W HN 0.544 nan 8.180 nan 0.000 0.617 251 S N 0.194 116.080 115.700 0.310 0.000 2.617 251 S HA 0.014 4.484 4.470 0.001 0.000 0.259 251 S C 0.679 175.464 174.600 0.309 0.000 1.301 251 S CA -0.362 58.003 58.200 0.276 0.000 0.984 251 S CB 0.704 64.043 63.200 0.232 0.000 0.954 251 S HN 0.611 nan 8.310 nan 0.000 0.572 252 W N 1.047 122.433 121.300 0.143 0.000 2.355 252 W HA -0.076 4.585 4.660 0.001 0.000 0.309 252 W C 2.194 178.780 176.519 0.112 0.000 1.206 252 W CA 1.732 59.155 57.345 0.130 0.000 1.284 252 W CB -0.178 29.348 29.460 0.110 0.000 1.145 252 W HN 0.769 nan 8.180 nan 0.000 0.502 253 E N 0.420 120.912 120.200 0.486 0.000 2.077 253 E HA -0.234 4.116 4.350 0.001 0.000 0.193 253 E C 1.849 178.467 176.600 0.029 0.000 0.989 253 E CA 1.908 58.482 56.400 0.289 0.000 0.800 253 E CB -0.582 29.277 29.700 0.264 0.000 0.746 253 E HN 0.582 nan 8.360 nan 0.000 0.452 254 E N 0.570 120.792 120.200 0.036 0.000 2.072 254 E HA -0.112 4.239 4.350 0.001 0.000 0.191 254 E C 2.391 178.977 176.600 -0.023 0.000 0.985 254 E CA 0.602 56.960 56.400 -0.070 0.000 0.801 254 E CB -0.122 29.505 29.700 -0.121 0.000 0.750 254 E HN 0.189 nan 8.360 nan 0.000 0.452 255 L N 0.730 122.008 121.223 0.091 0.000 2.046 255 L HA -0.167 4.174 4.340 0.001 0.000 0.208 255 L C 2.575 179.365 176.870 -0.133 0.000 1.077 255 L CA 1.237 56.145 54.840 0.113 0.000 0.747 255 L CB -0.604 41.522 42.059 0.111 0.000 0.896 255 L HN 0.163 nan 8.230 nan 0.000 0.432 256 T N -0.585 113.762 114.554 -0.346 0.000 2.746 256 T HA -0.187 4.163 4.350 0.001 0.000 0.267 256 T C 2.410 176.947 174.700 -0.271 0.000 1.039 256 T CA 1.764 63.613 62.100 -0.418 0.000 1.142 256 T CB -0.360 68.061 68.868 -0.745 0.000 0.866 256 T HN 0.482 nan 8.240 nan 0.000 0.444 257 R N 1.090 121.446 120.500 -0.240 0.000 2.075 257 R HA 0.365 4.705 4.340 0.001 0.000 0.232 257 R C 2.591 178.712 176.300 -0.300 0.000 1.126 257 R CA 1.655 57.623 56.100 -0.220 0.000 0.963 257 R CB -1.412 28.779 30.300 -0.183 0.000 0.858 257 R HN 0.510 nan 8.270 nan 0.000 0.435 258 A N -0.396 122.164 122.820 -0.433 0.000 1.968 258 A HA 0.330 4.651 4.320 0.001 0.000 0.217 258 A C 0.284 177.389 177.584 -0.798 0.000 1.169 258 A CA 0.674 52.301 52.037 -0.685 0.000 0.638 258 A CB 0.106 18.544 19.000 -0.938 0.000 0.812 258 A HN 0.494 nan 8.150 nan 0.000 0.446 259 F N 0.704 120.588 119.950 -0.109 0.000 2.531 259 F HA 0.322 4.849 4.527 0.001 0.000 0.333 259 F C -2.558 173.072 175.800 -0.283 0.000 1.292 259 F CA -3.710 54.161 58.000 -0.214 0.000 1.184 259 F CB 0.559 39.381 39.000 -0.297 0.000 1.426 259 F HN -0.032 nan 8.300 nan 0.000 0.559 260 P HA 0.061 nan 4.420 nan 0.000 0.266 260 P C -0.124 177.145 177.300 -0.052 0.000 1.195 260 P CA 0.392 63.412 63.100 -0.133 0.000 0.768 260 P CB 1.793 33.381 31.700 -0.186 0.000 0.838 261 S N 2.228 117.932 115.700 0.007 0.000 2.543 261 S HA 0.574 5.044 4.470 0.001 0.000 0.271 261 S C -2.795 171.882 174.600 0.128 0.000 1.148 261 S CA -1.125 57.128 58.200 0.088 0.000 0.914 261 S CB 0.402 63.562 63.200 -0.067 0.000 1.096 261 S HN 0.207 nan 8.310 nan 0.000 0.471 262 P HA 0.515 nan 4.420 nan 0.000 0.272 262 P C -0.930 176.553 177.300 0.306 0.000 1.240 262 P CA -0.304 62.941 63.100 0.241 0.000 0.791 262 P CB 0.196 31.985 31.700 0.148 0.000 0.978 263 F N -2.640 117.375 119.950 0.108 0.000 2.675 263 F HA 0.691 5.218 4.527 0.000 0.000 0.324 263 F C -0.891 175.015 175.800 0.177 0.000 1.106 263 F CA -1.387 56.685 58.000 0.121 0.000 0.970 263 F CB 0.486 39.578 39.000 0.153 0.000 1.385 263 F HN 0.061 nan 8.300 nan 0.000 0.489 264 S N 1.966 117.624 115.700 -0.071 0.000 2.452 264 S HA 0.429 4.899 4.470 0.001 0.000 0.284 264 S C -0.636 173.752 174.600 -0.354 0.000 1.171 264 S CA -0.406 57.697 58.200 -0.162 0.000 1.064 264 S CB 0.785 64.004 63.200 0.031 0.000 0.967 264 S HN 0.610 nan 8.310 nan 0.000 0.484 265 L N 5.742 126.679 121.223 -0.478 0.000 2.536 265 L HA 0.279 4.619 4.340 0.001 0.000 0.282 265 L C 0.659 177.455 176.870 -0.123 0.000 1.147 265 L CA 0.692 55.286 54.840 -0.410 0.000 0.936 265 L CB -0.871 40.868 42.059 -0.534 0.000 1.279 265 L HN 0.837 nan 8.230 nan 0.000 0.461 266 T N -0.051 114.486 114.554 -0.029 0.000 2.838 266 T HA 0.437 4.787 4.350 0.001 0.000 0.292 266 T C 1.030 175.699 174.700 -0.053 0.000 1.113 266 T CA -0.540 61.544 62.100 -0.026 0.000 1.008 266 T CB 1.002 69.873 68.868 0.005 0.000 1.259 266 T HN -0.039 nan 8.240 nan 0.000 0.520 267 V N 0.876 120.716 119.914 -0.123 0.000 2.358 267 V HA -0.083 4.038 4.120 0.001 0.000 0.246 267 V C 2.553 178.542 176.094 -0.174 0.000 1.047 267 V CA 2.508 64.717 62.300 -0.153 0.000 1.035 267 V CB -1.023 30.675 31.823 -0.208 0.000 0.658 267 V HN 1.107 nan 8.190 nan 0.000 0.452 268 D N 0.504 120.737 120.400 -0.280 0.000 2.123 268 D HA -0.186 4.455 4.640 0.001 0.000 0.196 268 D C 2.059 178.402 176.300 0.071 0.000 0.992 268 D CA 1.656 55.569 54.000 -0.144 0.000 0.833 268 D CB -0.135 40.624 40.800 -0.068 0.000 0.954 268 D HN 0.377 nan 8.370 nan 0.000 0.455 269 A N 0.562 123.403 122.820 0.034 0.000 1.877 269 A HA 0.051 4.371 4.320 0.001 0.000 0.216 269 A C 2.462 179.895 177.584 -0.251 0.000 1.186 269 A CA 2.324 54.261 52.037 -0.166 0.000 0.620 269 A CB -1.292 17.737 19.000 0.049 0.000 0.822 269 A HN 0.362 nan 8.150 nan 0.000 0.443 270 A N -0.541 122.228 122.820 -0.085 0.000 1.883 270 A HA -0.058 4.262 4.320 0.001 0.000 0.217 270 A C 2.262 179.913 177.584 0.112 0.000 1.186 270 A CA 2.011 54.045 52.037 -0.006 0.000 0.624 270 A CB -1.095 17.895 19.000 -0.017 0.000 0.822 270 A HN 0.431 nan 8.150 nan 0.000 0.444 271 V N 0.024 119.984 119.914 0.077 0.000 2.295 271 V HA -0.269 3.851 4.120 0.001 0.000 0.246 271 V C 2.746 178.957 176.094 0.195 0.000 1.049 271 V CA 2.101 64.488 62.300 0.146 0.000 1.024 271 V CB -0.787 31.193 31.823 0.261 0.000 0.648 271 V HN 0.551 nan 8.190 nan 0.000 0.447 272 Q N -0.315 119.585 119.800 0.166 0.000 2.119 272 Q HA -0.216 4.124 4.340 0.001 0.000 0.201 272 Q C 2.236 178.318 176.000 0.136 0.000 0.972 272 Q CA 1.518 57.430 55.803 0.181 0.000 0.847 272 Q CB -0.417 28.487 28.738 0.275 0.000 0.903 272 Q HN 0.706 nan 8.270 nan 0.000 0.433 273 Q N -0.620 119.174 119.800 -0.009 0.000 2.124 273 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 273 Q C 1.823 177.973 176.000 0.249 0.000 0.977 273 Q CA 1.355 57.189 55.803 0.052 0.000 0.850 273 Q CB -0.118 28.494 28.738 -0.210 0.000 0.901 273 Q HN 0.541 nan 8.270 nan 0.000 0.429 274 H N -0.167 118.997 119.070 0.156 0.000 2.363 274 H HA -0.038 4.518 4.556 0.001 0.000 0.301 274 H C 1.832 177.235 175.328 0.124 0.000 1.074 274 H CA 1.132 57.277 56.048 0.161 0.000 1.354 274 H CB -0.032 29.800 29.762 0.117 0.000 1.397 274 H HN 0.121 nan 8.280 nan 0.000 0.516 275 L N -0.360 121.005 121.223 0.237 0.000 2.131 275 L HA -0.178 4.162 4.340 0.001 0.000 0.210 275 L C 2.121 179.070 176.870 0.133 0.000 1.092 275 L CA 0.985 55.921 54.840 0.159 0.000 0.759 275 L CB -0.360 41.783 42.059 0.140 0.000 0.903 275 L HN 0.348 nan 8.230 nan 0.000 0.435 276 M N -1.265 118.434 119.600 0.165 0.000 2.267 276 M HA -0.145 4.335 4.480 0.001 0.000 0.263 276 M C 0.467 176.843 176.300 0.126 0.000 1.063 276 M CA 1.062 56.454 55.300 0.152 0.000 1.090 276 M CB -0.102 32.635 32.600 0.228 0.000 1.392 276 M HN 0.138 nan 8.290 nan 0.000 0.422 277 M N 1.300 120.961 119.600 0.100 0.000 2.146 277 M HA 0.129 4.609 4.480 0.001 0.000 0.352 277 M C 0.056 176.375 176.300 0.033 0.000 1.343 277 M CA 0.011 55.334 55.300 0.037 0.000 1.115 277 M CB 0.180 32.704 32.600 -0.127 0.000 1.657 277 M HN 0.096 nan 8.290 nan 0.000 0.471 278 E N 1.277 121.501 120.200 0.039 0.000 2.452 278 E HA 0.222 4.573 4.350 0.001 0.000 0.261 278 E C 1.059 177.672 176.600 0.021 0.000 0.987 278 E CA 1.103 57.521 56.400 0.029 0.000 0.926 278 E CB 0.403 30.123 29.700 0.033 0.000 0.934 278 E HN 0.921 nan 8.360 nan 0.000 0.452 279 G N 2.616 111.428 108.800 0.020 0.000 2.175 279 G HA2 -0.243 3.717 3.960 0.001 0.000 0.244 279 G HA3 -0.243 3.717 3.960 0.001 0.000 0.244 279 G C -0.053 174.860 174.900 0.023 0.000 0.982 279 G CA 0.086 45.196 45.100 0.017 0.000 0.641 279 G HN 0.506 nan 8.290 nan 0.000 0.527 280 V N 3.694 123.628 119.914 0.034 0.000 2.294 280 V HA 0.450 4.571 4.120 0.001 0.000 0.272 280 V C -1.401 174.729 176.094 0.060 0.000 1.027 280 V CA -1.283 61.050 62.300 0.057 0.000 0.823 280 V CB 1.362 33.233 31.823 0.079 0.000 1.030 280 V HN 0.295 nan 8.190 nan 0.000 0.457 281 P HA 0.177 nan 4.420 nan 0.000 0.281 281 P C 0.962 178.296 177.300 0.057 0.000 1.252 281 P CA -0.170 62.955 63.100 0.042 0.000 0.778 281 P CB 1.585 33.299 31.700 0.024 0.000 0.895 282 S N 2.728 118.459 115.700 0.052 0.000 2.419 282 S HA -0.182 4.288 4.470 0.001 0.000 0.235 282 S C 1.846 176.482 174.600 0.059 0.000 1.019 282 S CA 0.990 59.223 58.200 0.055 0.000 0.982 282 S CB -1.107 62.114 63.200 0.035 0.000 0.789 282 S HN 0.516 nan 8.310 nan 0.000 0.490 283 A N 1.575 124.428 122.820 0.054 0.000 2.121 283 A HA 0.075 4.396 4.320 0.001 0.000 0.218 283 A C 2.135 179.798 177.584 0.132 0.000 1.154 283 A CA 1.050 53.130 52.037 0.073 0.000 0.679 283 A CB -0.353 18.674 19.000 0.045 0.000 0.795 283 A HN 0.594 nan 8.150 nan 0.000 0.458 284 K N -0.694 119.772 120.400 0.110 0.000 2.367 284 K HA 0.277 4.597 4.320 0.001 0.000 0.194 284 K C -0.345 176.384 176.600 0.215 0.000 1.027 284 K CA -0.036 56.344 56.287 0.155 0.000 1.075 284 K CB 0.258 32.789 32.500 0.053 0.000 0.845 284 K HN 0.446 nan 8.250 nan 0.000 0.529 285 I N 2.336 122.989 120.570 0.138 0.000 2.396 285 I HA 0.046 4.216 4.170 0.001 0.000 0.289 285 I C -0.324 175.826 176.117 0.055 0.000 1.056 285 I CA -0.439 60.911 61.300 0.084 0.000 1.365 285 I CB 1.076 39.109 38.000 0.055 0.000 1.407 285 I HN -0.278 nan 8.210 nan 0.000 0.509 286 V N 7.629 127.554 119.914 0.019 0.000 2.417 286 V HA 0.310 4.430 4.120 0.001 0.000 0.291 286 V C 0.154 176.248 176.094 -0.001 0.000 1.024 286 V CA -0.663 61.615 62.300 -0.036 0.000 0.861 286 V CB 1.745 33.486 31.823 -0.137 0.000 0.985 286 V HN 0.708 nan 8.190 nan 0.000 0.436 287 M N 4.274 123.897 119.600 0.037 0.000 2.146 287 M HA 0.547 5.027 4.480 0.001 0.000 0.357 287 M C 0.470 176.829 176.300 0.099 0.000 1.261 287 M CA -0.079 55.258 55.300 0.063 0.000 1.106 287 M CB 0.645 33.313 32.600 0.114 0.000 1.612 287 M HN 0.793 nan 8.290 nan 0.000 0.470 288 G N 4.054 112.916 108.800 0.104 0.000 2.400 288 G HA2 0.573 4.533 3.960 0.001 0.000 0.301 288 G HA3 0.573 4.533 3.960 0.001 0.000 0.301 288 G C -0.944 174.192 174.900 0.394 0.000 1.154 288 G CA -0.580 44.686 45.100 0.277 0.000 0.852 288 G HN 0.825 nan 8.290 nan 0.000 0.511 289 V N -0.621 119.586 119.914 0.488 0.000 2.876 289 V HA 0.853 4.973 4.120 0.001 0.000 0.312 289 V C -2.692 173.623 176.094 0.369 0.000 1.085 289 V CA -2.748 59.809 62.300 0.428 0.000 0.945 289 V CB 2.585 34.484 31.823 0.127 0.000 1.017 289 V HN 0.646 nan 8.190 nan 0.000 0.428 290 P HA 0.415 nan 4.420 nan 0.000 0.290 290 P C -0.788 176.661 177.300 0.248 0.000 1.276 290 P CA -0.204 62.788 63.100 -0.180 0.000 0.808 290 P CB 1.305 32.564 31.700 -0.736 0.000 0.966 291 F N 2.666 122.629 119.950 0.022 0.000 2.668 291 F HA 0.236 4.763 4.527 0.000 0.000 0.297 291 F C 0.409 176.283 175.800 0.124 0.000 1.124 291 F CA -0.524 57.508 58.000 0.055 0.000 1.353 291 F CB -0.661 38.352 39.000 0.021 0.000 0.992 291 F HN 0.262 nan 8.300 nan 0.000 0.524 292 Y N -2.795 117.644 120.300 0.232 0.000 2.655 292 Y HA 0.853 5.403 4.550 0.001 0.000 0.336 292 Y C -0.197 175.802 175.900 0.166 0.000 1.154 292 Y CA -2.171 56.017 58.100 0.147 0.000 1.055 292 Y CB 0.882 39.406 38.460 0.107 0.000 1.295 292 Y HN -0.131 nan 8.280 nan 0.000 0.465 293 G N 0.768 109.697 108.800 0.216 0.000 2.498 293 G HA2 0.702 4.662 3.960 0.001 0.000 0.312 293 G HA3 0.702 4.662 3.960 0.001 0.000 0.312 293 G C -1.635 173.394 174.900 0.216 0.000 1.230 293 G CA -1.554 43.647 45.100 0.167 0.000 0.968 293 G HN 0.654 nan 8.290 nan 0.000 0.481 294 R N -0.062 120.547 120.500 0.183 0.000 2.387 294 R HA 0.614 4.954 4.340 0.001 0.000 0.314 294 R C -0.310 176.058 176.300 0.112 0.000 0.958 294 R CA -0.501 55.669 56.100 0.118 0.000 0.846 294 R CB 2.078 32.449 30.300 0.118 0.000 1.147 294 R HN 0.611 nan 8.270 nan 0.000 0.447 295 A N 3.555 126.378 122.820 0.006 0.000 2.312 295 A HA 0.707 5.028 4.320 0.001 0.000 0.326 295 A C -1.037 176.648 177.584 0.170 0.000 1.172 295 A CA -0.350 51.792 52.037 0.175 0.000 0.821 295 A CB 0.446 19.527 19.000 0.135 0.000 1.166 295 A HN 0.559 nan 8.150 nan 0.000 0.493 296 F N 0.831 120.963 119.950 0.305 0.000 2.563 296 F HA 0.585 5.112 4.527 0.001 0.000 0.316 296 F C 0.479 176.262 175.800 -0.028 0.000 1.076 296 F CA -0.501 57.566 58.000 0.112 0.000 0.921 296 F CB 2.461 41.451 39.000 -0.017 0.000 1.209 296 F HN 0.708 nan 8.300 nan 0.000 0.462 297 K N -0.256 120.016 120.400 -0.213 0.000 2.352 297 K HA 0.808 5.129 4.320 0.001 0.000 0.240 297 K C 0.347 176.862 176.600 -0.141 0.000 1.017 297 K CA -0.682 55.346 56.287 -0.432 0.000 0.851 297 K CB 1.979 33.664 32.500 -1.358 0.000 1.261 297 K HN 0.892 nan 8.250 nan 0.000 0.451 298 G N 0.073 108.802 108.800 -0.118 0.000 2.198 298 G HA2 -0.229 3.731 3.960 0.001 0.000 0.257 298 G HA3 -0.229 3.731 3.960 0.001 0.000 0.257 298 G C -0.019 174.908 174.900 0.044 0.000 1.042 298 G CA 0.197 45.275 45.100 -0.037 0.000 0.791 298 G HN 1.009 nan 8.290 nan 0.000 0.502 299 V N -2.127 117.841 119.914 0.090 0.000 2.785 299 V HA 0.863 4.984 4.120 0.001 0.000 0.300 299 V C 0.737 176.884 176.094 0.089 0.000 1.062 299 V CA -0.023 62.333 62.300 0.092 0.000 1.029 299 V CB 1.626 33.523 31.823 0.123 0.000 1.024 299 V HN 0.506 nan 8.190 nan 0.000 0.477 300 S N 2.357 118.072 115.700 0.025 0.000 2.632 300 S HA 0.692 5.162 4.470 0.001 0.000 0.267 300 S C 0.567 175.184 174.600 0.028 0.000 1.276 300 S CA 0.085 58.300 58.200 0.025 0.000 0.998 300 S CB 1.322 64.511 63.200 -0.019 0.000 0.953 300 S HN 1.363 nan 8.310 nan 0.000 0.547 301 G N -0.784 108.048 108.800 0.053 0.000 2.606 301 G HA2 0.536 4.496 3.960 0.001 0.000 0.262 301 G HA3 0.536 4.496 3.960 0.001 0.000 0.262 301 G C 0.929 175.791 174.900 -0.064 0.000 1.394 301 G CA -0.132 44.988 45.100 0.034 0.000 1.044 301 G HN 1.399 nan 8.290 nan 0.000 0.553 302 G N -0.442 108.321 108.800 -0.061 0.000 2.358 302 G HA2 -0.288 3.672 3.960 0.001 0.000 0.224 302 G HA3 -0.288 3.672 3.960 0.001 0.000 0.224 302 G C 0.673 175.518 174.900 -0.092 0.000 1.073 302 G CA 0.941 46.008 45.100 -0.055 0.000 0.635 302 G HN 1.256 nan 8.290 nan 0.000 0.509 303 N N 0.365 118.958 118.700 -0.178 0.000 2.588 303 N HA 0.490 5.230 4.740 0.001 0.000 0.298 303 N C 1.102 176.457 175.510 -0.258 0.000 1.718 303 N CA 1.221 54.164 53.050 -0.178 0.000 0.888 303 N CB 0.055 38.440 38.487 -0.170 0.000 1.389 303 N HN 1.560 nan 8.380 nan 0.000 0.491 304 G N -0.155 108.413 108.800 -0.388 0.000 2.187 304 G HA2 -0.220 3.740 3.960 0.001 0.000 0.261 304 G HA3 -0.220 3.740 3.960 0.001 0.000 0.261 304 G C 0.994 175.617 174.900 -0.463 0.000 1.000 304 G CA 0.510 45.345 45.100 -0.442 0.000 0.718 304 G HN 1.356 nan 8.290 nan 0.000 0.519 305 G N -1.828 106.608 108.800 -0.607 0.000 2.176 305 G HA2 -0.260 3.701 3.960 0.001 0.000 0.253 305 G HA3 -0.260 3.701 3.960 0.001 0.000 0.253 305 G C 0.322 174.746 174.900 -0.794 0.000 0.979 305 G CA 1.009 45.895 45.100 -0.356 0.000 0.641 305 G HN 1.146 nan 8.290 nan 0.000 0.530 306 Q N -0.736 118.524 119.800 -0.900 0.000 2.327 306 Q HA 0.459 4.800 4.340 0.001 0.000 0.254 306 Q C 0.398 175.755 176.000 -1.072 0.000 0.952 306 Q CA -0.512 54.419 55.803 -1.452 0.000 0.884 306 Q CB 0.304 28.036 28.738 -1.678 0.000 1.224 306 Q HN 0.636 nan 8.270 nan 0.000 0.422 307 Y N -1.111 118.796 120.300 -0.655 0.000 3.078 307 Y HA -0.254 4.296 4.550 0.000 0.000 0.202 307 Y C -0.136 175.571 175.900 -0.323 0.000 1.322 307 Y CA 0.655 58.507 58.100 -0.414 0.000 1.118 307 Y CB -2.282 36.004 38.460 -0.290 0.000 1.343 307 Y HN 0.458 nan 8.280 nan 0.000 0.499 308 S N -0.439 115.108 115.700 -0.254 0.000 2.599 308 S HA 0.836 5.307 4.470 0.001 0.000 0.294 308 S C 0.256 174.808 174.600 -0.079 0.000 1.094 308 S CA -0.157 57.947 58.200 -0.160 0.000 0.931 308 S CB 1.488 64.576 63.200 -0.187 0.000 1.093 308 S HN 0.695 nan 8.310 nan 0.000 0.488 309 S N 1.603 117.271 115.700 -0.053 0.000 2.596 309 S HA 0.596 5.066 4.470 0.001 0.000 0.260 309 S C -0.239 174.369 174.600 0.013 0.000 1.336 309 S CA 0.038 58.203 58.200 -0.058 0.000 0.993 309 S CB -0.044 63.101 63.200 -0.092 0.000 0.923 309 S HN 1.174 nan 8.310 nan 0.000 0.567 310 H N -2.762 116.296 119.070 -0.019 0.000 2.948 310 H HA 0.635 5.191 4.556 0.001 0.000 0.315 310 H C -0.741 174.586 175.328 -0.002 0.000 1.360 310 H CA -0.478 55.572 56.048 0.003 0.000 1.125 310 H CB 0.747 30.565 29.762 0.092 0.000 1.844 310 H HN 0.558 nan 8.280 nan 0.000 0.529 311 S N -0.408 115.324 115.700 0.053 0.000 2.661 311 S HA 0.251 4.721 4.470 0.001 0.000 0.245 311 S C -0.569 174.071 174.600 0.066 0.000 1.117 311 S CA -0.475 57.714 58.200 -0.017 0.000 1.091 311 S CB -0.716 62.446 63.200 -0.063 0.000 0.887 311 S HN 0.641 nan 8.310 nan 0.000 0.491 312 T N 4.769 119.526 114.554 0.338 0.000 2.761 312 T HA 0.387 4.737 4.350 0.001 0.000 0.296 312 T C -2.652 172.210 174.700 0.271 0.000 0.934 312 T CA -1.021 61.248 62.100 0.280 0.000 1.091 312 T CB 0.640 69.631 68.868 0.204 0.000 0.896 312 T HN 0.203 nan 8.240 nan 0.000 0.515 313 P HA 0.230 nan 4.420 nan 0.000 0.267 313 P C 0.853 178.297 177.300 0.239 0.000 1.205 313 P CA -0.102 63.131 63.100 0.222 0.000 0.765 313 P CB 0.573 32.387 31.700 0.191 0.000 0.828 314 G N 2.138 111.058 108.800 0.200 0.000 2.921 314 G HA2 -0.030 3.931 3.960 0.001 0.000 0.213 314 G HA3 -0.030 3.931 3.960 0.001 0.000 0.213 314 G C 0.365 175.409 174.900 0.241 0.000 1.143 314 G CA 0.028 45.268 45.100 0.232 0.000 0.764 314 G HN 0.538 nan 8.290 nan 0.000 0.542 315 E N 0.666 120.974 120.200 0.180 0.000 2.415 315 E HA 0.193 4.543 4.350 0.001 0.000 0.262 315 E C -1.232 175.471 176.600 0.171 0.000 1.038 315 E CA -0.152 56.340 56.400 0.153 0.000 0.921 315 E CB 0.503 30.261 29.700 0.096 0.000 0.950 315 E HN 0.051 nan 8.360 nan 0.000 0.438 316 D N 3.574 124.073 120.400 0.165 0.000 2.505 316 D HA 0.334 4.975 4.640 0.001 0.000 0.249 316 D C -2.177 174.215 176.300 0.153 0.000 1.082 316 D CA -1.339 52.763 54.000 0.169 0.000 0.839 316 D CB 1.099 42.003 40.800 0.173 0.000 1.317 316 D HN 0.298 nan 8.370 nan 0.000 0.497 317 P HA 0.067 nan 4.420 nan 0.000 0.273 317 P C -0.648 176.760 177.300 0.180 0.000 1.250 317 P CA -0.438 62.754 63.100 0.154 0.000 0.793 317 P CB 0.330 32.109 31.700 0.131 0.000 1.011 318 Y N 1.758 122.104 120.300 0.078 0.000 2.745 318 Y HA 0.013 4.564 4.550 0.001 0.000 0.335 318 Y C -1.327 174.633 175.900 0.101 0.000 1.212 318 Y CA -1.260 56.896 58.100 0.094 0.000 1.535 318 Y CB -0.431 38.084 38.460 0.091 0.000 1.220 318 Y HN 0.309 nan 8.280 nan 0.000 0.531 319 P HA -0.125 nan 4.420 nan 0.000 0.213 319 P C 0.703 177.819 177.300 -0.306 0.000 1.170 319 P CA 1.232 64.190 63.100 -0.237 0.000 0.893 319 P CB 0.049 31.633 31.700 -0.193 0.000 0.784 320 S N -1.938 113.394 115.700 -0.614 0.000 2.632 320 S HA 0.096 4.566 4.470 0.001 0.000 0.254 320 S C 1.198 175.725 174.600 -0.122 0.000 1.291 320 S CA 0.798 58.780 58.200 -0.362 0.000 0.974 320 S CB -0.289 62.717 63.200 -0.324 0.000 1.016 320 S HN 0.121 nan 8.310 nan 0.000 0.579 321 T N -0.264 114.254 114.554 -0.061 0.000 3.087 321 T HA 0.194 4.544 4.350 0.001 0.000 0.283 321 T C -0.579 173.776 174.700 -0.575 0.000 0.956 321 T CA -0.270 61.700 62.100 -0.216 0.000 0.894 321 T CB -0.220 68.543 68.868 -0.176 0.000 1.160 321 T HN 0.582 nan 8.240 nan 0.000 0.532 322 D N 1.847 122.175 120.400 -0.120 0.000 2.359 322 D HA 0.083 4.723 4.640 0.001 0.000 0.250 322 D C -0.893 175.443 176.300 0.060 0.000 1.264 322 D CA -0.242 53.750 54.000 -0.012 0.000 0.911 322 D CB -0.064 40.885 40.800 0.249 0.000 1.056 322 D HN 0.266 nan 8.370 nan 0.000 0.499 323 Y N 4.841 125.148 120.300 0.011 0.000 2.714 323 Y HA 0.141 4.691 4.550 0.001 0.000 0.333 323 Y C 0.839 176.618 175.900 -0.203 0.000 1.220 323 Y CA -1.351 56.593 58.100 -0.261 0.000 1.513 323 Y CB -0.446 37.893 38.460 -0.202 0.000 1.435 323 Y HN 0.521 nan 8.280 nan 0.000 0.489 324 W N 0.935 122.291 121.300 0.092 0.000 3.180 324 W HA 0.208 4.869 4.660 0.000 0.000 0.254 324 W C -0.571 175.940 176.519 -0.013 0.000 1.318 324 W CA -0.466 56.894 57.345 0.025 0.000 1.608 324 W CB -0.026 29.453 29.460 0.031 0.000 1.124 324 W HN 0.299 nan 8.180 nan 0.000 0.694 325 L N 3.153 124.276 121.223 -0.166 0.000 2.356 325 L HA 0.242 4.582 4.340 0.001 0.000 0.282 325 L C 0.303 177.158 176.870 -0.025 0.000 1.132 325 L CA -0.713 54.092 54.840 -0.059 0.000 0.923 325 L CB 0.186 42.036 42.059 -0.348 0.000 1.278 325 L HN -0.208 nan 8.230 nan 0.000 0.436 326 V N 5.975 125.922 119.914 0.055 0.000 2.625 326 V HA 0.201 4.321 4.120 0.001 0.000 0.305 326 V C 1.588 177.590 176.094 -0.153 0.000 1.055 326 V CA 1.287 63.565 62.300 -0.038 0.000 1.209 326 V CB -0.132 31.639 31.823 -0.087 0.000 0.877 326 V HN 1.063 nan 8.190 nan 0.000 0.489 327 G N 3.009 111.505 108.800 -0.507 0.000 2.241 327 G HA2 -0.294 3.667 3.960 0.001 0.000 0.244 327 G HA3 -0.294 3.667 3.960 0.001 0.000 0.244 327 G C 0.576 175.168 174.900 -0.513 0.000 0.998 327 G CA 0.055 44.512 45.100 -1.071 0.000 0.621 327 G HN 1.082 nan 8.290 nan 0.000 0.519 328 C N 2.152 121.261 119.300 -0.319 0.000 2.252 328 C HA 0.653 5.113 4.460 0.001 0.000 0.342 328 C C 1.726 176.585 174.990 -0.217 0.000 1.110 328 C CA 0.244 59.107 59.018 -0.258 0.000 1.581 328 C CB -0.840 26.740 27.740 -0.267 0.000 2.087 328 C HN 0.535 nan 8.230 nan 0.000 0.500 329 E N 1.482 121.578 120.200 -0.172 0.000 2.285 329 E HA -0.141 4.210 4.350 0.001 0.000 0.194 329 E C 1.922 178.431 176.600 -0.151 0.000 0.997 329 E CA 0.634 56.954 56.400 -0.134 0.000 0.845 329 E CB 0.171 29.821 29.700 -0.082 0.000 0.782 329 E HN 0.861 nan 8.360 nan 0.000 0.491 330 E N 0.258 120.362 120.200 -0.160 0.000 2.110 330 E HA -0.192 4.158 4.350 0.001 0.000 0.193 330 E C 1.831 178.297 176.600 -0.222 0.000 0.988 330 E CA 1.092 57.398 56.400 -0.156 0.000 0.804 330 E CB 0.036 29.652 29.700 -0.140 0.000 0.745 330 E HN 0.278 nan 8.360 nan 0.000 0.458 331 C N 0.007 119.134 119.300 -0.287 0.000 2.413 331 C HA -0.108 4.353 4.460 0.001 0.000 0.276 331 C C 2.638 177.269 174.990 -0.599 0.000 1.248 331 C CA 0.470 59.236 59.018 -0.420 0.000 1.742 331 C CB -0.834 26.638 27.740 -0.447 0.000 2.017 331 C HN 0.324 nan 8.230 nan 0.000 0.481 332 V N 0.894 120.511 119.914 -0.496 0.000 2.307 332 V HA -0.205 3.915 4.120 0.001 0.000 0.245 332 V C 2.680 178.545 176.094 -0.383 0.000 1.045 332 V CA 2.100 64.074 62.300 -0.542 0.000 1.024 332 V CB -0.770 30.947 31.823 -0.176 0.000 0.651 332 V HN 0.509 nan 8.190 nan 0.000 0.449 333 R N 0.469 120.827 120.500 -0.236 0.000 2.094 333 R HA -0.201 4.139 4.340 0.001 0.000 0.239 333 R C 1.680 177.884 176.300 -0.160 0.000 1.137 333 R CA 2.252 58.263 56.100 -0.148 0.000 0.943 333 R CB -0.331 29.906 30.300 -0.105 0.000 0.850 333 R HN 0.522 nan 8.270 nan 0.000 0.433 334 D N 0.430 120.709 120.400 -0.203 0.000 2.340 334 D HA 0.005 4.646 4.640 0.001 0.000 0.220 334 D C -0.183 175.990 176.300 -0.212 0.000 1.039 334 D CA 0.276 54.177 54.000 -0.165 0.000 0.866 334 D CB 0.228 40.949 40.800 -0.133 0.000 0.913 334 D HN 0.214 nan 8.370 nan 0.000 0.523 335 K N 1.225 121.391 120.400 -0.391 0.000 3.257 335 K HA -0.176 4.144 4.320 0.001 0.000 0.270 335 K C -0.601 175.847 176.600 -0.252 0.000 0.984 335 K CA 0.545 56.578 56.287 -0.425 0.000 0.739 335 K CB -1.074 31.419 32.500 -0.012 0.000 1.351 335 K HN 0.120 nan 8.250 nan 0.000 0.463 336 D N -0.677 119.435 120.400 -0.479 0.000 2.484 336 D HA 0.095 4.735 4.640 0.001 0.000 0.206 336 D C -2.406 173.495 176.300 -0.664 0.000 1.322 336 D CA -1.422 52.268 54.000 -0.517 0.000 0.913 336 D CB 1.504 42.145 40.800 -0.266 0.000 1.559 336 D HN -0.113 nan 8.370 nan 0.000 0.565 337 P HA 0.161 nan 4.420 nan 0.000 0.257 337 P C 0.751 177.519 177.300 -0.887 0.000 1.281 337 P CA -0.031 62.435 63.100 -1.058 0.000 0.826 337 P CB 0.449 31.094 31.700 -1.758 0.000 1.237 338 R N -0.469 119.688 120.500 -0.572 0.000 2.276 338 R HA 0.301 4.641 4.340 0.001 0.000 0.196 338 R C 0.855 177.028 176.300 -0.212 0.000 0.961 338 R CA 0.484 56.406 56.100 -0.297 0.000 1.024 338 R CB 0.167 30.350 30.300 -0.195 0.000 0.940 338 R HN 0.247 nan 8.270 nan 0.000 0.480 339 I N -0.083 120.358 120.570 -0.215 0.000 2.656 339 I HA 0.445 4.615 4.170 0.001 0.000 0.292 339 I C -1.230 174.816 176.117 -0.120 0.000 1.144 339 I CA -1.018 60.220 61.300 -0.103 0.000 1.038 339 I CB 2.320 40.261 38.000 -0.099 0.000 1.244 339 I HN -0.115 nan 8.210 nan 0.000 0.420 340 A N 3.574 126.366 122.820 -0.046 0.000 2.455 340 A HA 0.711 5.031 4.320 0.001 0.000 0.300 340 A C -0.253 177.333 177.584 0.002 0.000 1.040 340 A CA -0.562 51.422 52.037 -0.087 0.000 0.697 340 A CB 1.763 20.657 19.000 -0.177 0.000 1.265 340 A HN 0.754 nan 8.150 nan 0.000 0.407 341 S N 1.333 117.021 115.700 -0.019 0.000 2.579 341 S HA 0.169 4.639 4.470 0.001 0.000 0.275 341 S C 0.887 175.479 174.600 -0.013 0.000 1.345 341 S CA 0.359 58.576 58.200 0.028 0.000 1.031 341 S CB 0.100 63.279 63.200 -0.035 0.000 0.892 341 S HN 1.181 nan 8.310 nan 0.000 0.529 342 Y N 2.602 122.859 120.300 -0.072 0.000 2.165 342 Y HA -0.180 4.371 4.550 0.001 0.000 0.286 342 Y C 2.685 178.491 175.900 -0.157 0.000 1.155 342 Y CA 2.160 60.176 58.100 -0.141 0.000 1.164 342 Y CB -0.374 37.969 38.460 -0.194 0.000 0.978 342 Y HN 0.862 nan 8.280 nan 0.000 0.513 343 R N 0.002 120.421 120.500 -0.136 0.000 2.094 343 R HA -0.304 4.037 4.340 0.001 0.000 0.239 343 R C 2.400 178.555 176.300 -0.242 0.000 1.137 343 R CA 2.212 58.212 56.100 -0.168 0.000 0.943 343 R CB -0.463 29.820 30.300 -0.029 0.000 0.850 343 R HN 0.422 nan 8.270 nan 0.000 0.433 344 Q N 0.612 120.292 119.800 -0.200 0.000 2.084 344 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 344 Q C 2.091 177.914 176.000 -0.295 0.000 0.978 344 Q CA 1.788 57.467 55.803 -0.206 0.000 0.844 344 Q CB -0.310 28.322 28.738 -0.176 0.000 0.898 344 Q HN 0.504 nan 8.270 nan 0.000 0.426 345 L N 0.233 121.222 121.223 -0.390 0.000 2.042 345 L HA -0.204 4.137 4.340 0.001 0.000 0.210 345 L C 2.558 179.125 176.870 -0.505 0.000 1.076 345 L CA 1.860 56.393 54.840 -0.512 0.000 0.749 345 L CB -0.540 41.127 42.059 -0.652 0.000 0.893 345 L HN 0.421 nan 8.230 nan 0.000 0.432 346 E N -0.049 119.801 120.200 -0.584 0.000 2.085 346 E HA -0.276 4.074 4.350 0.001 0.000 0.194 346 E C 2.211 178.662 176.600 -0.248 0.000 0.994 346 E CA 1.371 57.489 56.400 -0.469 0.000 0.801 346 E CB 0.051 29.415 29.700 -0.560 0.000 0.743 346 E HN 0.525 nan 8.360 nan 0.000 0.453 347 Q N -0.382 119.297 119.800 -0.201 0.000 2.119 347 Q HA -0.151 4.189 4.340 0.001 0.000 0.201 347 Q C 2.213 178.218 176.000 0.009 0.000 0.972 347 Q CA 1.495 57.250 55.803 -0.079 0.000 0.847 347 Q CB -0.069 28.631 28.738 -0.062 0.000 0.903 347 Q HN 0.384 nan 8.270 nan 0.000 0.433 348 M N 0.105 119.664 119.600 -0.068 0.000 2.117 348 M HA -0.180 4.301 4.480 0.001 0.000 0.262 348 M C 2.038 178.437 176.300 0.164 0.000 1.065 348 M CA 1.368 56.690 55.300 0.037 0.000 1.114 348 M CB -0.155 32.272 32.600 -0.289 0.000 1.361 348 M HN 0.215 nan 8.290 nan 0.000 0.408 349 L N -0.389 120.819 121.223 -0.025 0.000 2.027 349 L HA -0.242 4.098 4.340 0.001 0.000 0.206 349 L C 2.512 179.402 176.870 0.034 0.000 1.074 349 L CA 1.475 56.322 54.840 0.012 0.000 0.745 349 L CB -0.491 41.523 42.059 -0.074 0.000 0.898 349 L HN 0.367 nan 8.230 nan 0.000 0.433 350 Q N -0.642 119.159 119.800 0.001 0.000 2.170 350 Q HA -0.127 4.214 4.340 0.001 0.000 0.203 350 Q C 1.948 177.933 176.000 -0.024 0.000 0.976 350 Q CA 1.238 57.033 55.803 -0.013 0.000 0.858 350 Q CB -0.258 28.464 28.738 -0.026 0.000 0.907 350 Q HN 0.564 nan 8.270 nan 0.000 0.433 351 G N 0.277 109.085 108.800 0.014 0.000 2.956 351 G HA2 -0.095 3.866 3.960 0.001 0.000 0.207 351 G HA3 -0.095 3.866 3.960 0.001 0.000 0.207 351 G C -0.313 174.307 174.900 -0.466 0.000 1.162 351 G CA -0.296 44.679 45.100 -0.209 0.000 0.796 351 G HN 0.451 nan 8.290 nan 0.000 0.527 352 N N -0.996 117.598 118.700 -0.177 0.000 2.642 352 N HA -0.204 4.537 4.740 0.001 0.000 0.269 352 N C -0.411 174.965 175.510 -0.223 0.000 1.073 352 N CA 0.133 53.089 53.050 -0.157 0.000 0.748 352 N CB -0.584 37.803 38.487 -0.167 0.000 0.894 352 N HN 0.472 nan 8.380 nan 0.000 0.548 353 Y N -0.757 119.569 120.300 0.043 0.000 2.507 353 Y HA 0.301 4.852 4.550 0.001 0.000 0.254 353 Y C 1.710 177.524 175.900 -0.142 0.000 1.171 353 Y CA 0.515 58.633 58.100 0.029 0.000 1.238 353 Y CB 1.060 39.621 38.460 0.168 0.000 1.148 353 Y HN 0.479 nan 8.280 nan 0.000 0.525 354 G N -0.971 107.756 108.800 -0.122 0.000 2.148 354 G HA2 -0.266 3.694 3.960 0.001 0.000 0.203 354 G HA3 -0.266 3.694 3.960 0.001 0.000 0.203 354 G C -0.481 174.004 174.900 -0.693 0.000 0.993 354 G CA -0.662 44.148 45.100 -0.483 0.000 0.661 354 G HN 0.215 nan 8.290 nan 0.000 0.518 355 Y N 0.569 120.777 120.300 -0.153 0.000 2.308 355 Y HA 0.626 5.176 4.550 0.001 0.000 0.329 355 Y C 0.654 176.510 175.900 -0.073 0.000 1.111 355 Y CA 0.445 58.488 58.100 -0.095 0.000 1.179 355 Y CB 1.355 39.821 38.460 0.010 0.000 1.201 355 Y HN 0.509 nan 8.280 nan 0.000 0.483 356 Q N 3.569 123.436 119.800 0.112 0.000 2.322 356 Q HA 0.471 4.811 4.340 0.001 0.000 0.265 356 Q C -0.567 175.482 176.000 0.081 0.000 0.985 356 Q CA -1.269 54.581 55.803 0.078 0.000 0.849 356 Q CB 1.485 30.272 28.738 0.081 0.000 1.274 356 Q HN 0.659 nan 8.270 nan 0.000 0.449 357 R N 2.979 123.510 120.500 0.051 0.000 2.234 357 R HA 0.558 4.898 4.340 0.001 0.000 0.324 357 R C -1.202 175.077 176.300 -0.034 0.000 1.054 357 R CA -0.018 56.108 56.100 0.042 0.000 0.912 357 R CB -0.222 30.128 30.300 0.084 0.000 1.030 357 R HN 0.738 nan 8.270 nan 0.000 0.455 358 L N 3.616 124.701 121.223 -0.230 0.000 2.303 358 L HA 0.602 4.943 4.340 0.001 0.000 0.266 358 L C -0.470 176.292 176.870 -0.179 0.000 1.011 358 L CA -0.949 53.676 54.840 -0.359 0.000 0.818 358 L CB 2.189 43.731 42.059 -0.861 0.000 1.326 358 L HN 0.528 nan 8.230 nan 0.000 0.435 359 W N 2.010 123.226 121.300 -0.140 0.000 2.839 359 W HA 0.329 4.990 4.660 0.001 0.000 0.334 359 W C -1.482 175.147 176.519 0.183 0.000 1.064 359 W CA -0.552 56.817 57.345 0.040 0.000 1.236 359 W CB 1.965 31.426 29.460 0.001 0.000 1.405 359 W HN 0.449 nan 8.180 nan 0.000 0.478 360 N N 3.947 122.381 118.700 -0.443 0.000 2.501 360 N HA 0.034 4.774 4.740 0.001 0.000 0.245 360 N C -0.029 175.055 175.510 -0.708 0.000 0.974 360 N CA 0.164 52.993 53.050 -0.368 0.000 0.941 360 N CB 1.182 39.434 38.487 -0.392 0.000 1.122 360 N HN 0.458 nan 8.380 nan 0.000 0.507 361 D N 2.344 122.607 120.400 -0.229 0.000 2.378 361 D HA 0.023 4.663 4.640 0.001 0.000 0.227 361 D C 1.125 177.378 176.300 -0.077 0.000 1.012 361 D CA 0.909 54.893 54.000 -0.027 0.000 0.905 361 D CB 0.601 41.535 40.800 0.224 0.000 0.895 361 D HN 0.392 nan 8.370 nan 0.000 0.532 362 K N -0.969 119.360 120.400 -0.118 0.000 2.121 362 K HA 0.026 4.347 4.320 0.001 0.000 0.203 362 K C 2.133 178.693 176.600 -0.067 0.000 1.041 362 K CA 1.311 57.568 56.287 -0.049 0.000 0.969 362 K CB -0.773 31.719 32.500 -0.013 0.000 0.799 362 K HN 0.253 nan 8.250 nan 0.000 0.456 363 T N -0.598 113.825 114.554 -0.217 0.000 3.055 363 T HA 0.021 4.371 4.350 0.001 0.000 0.265 363 T C 0.433 174.882 174.700 -0.417 0.000 1.111 363 T CA 0.203 62.135 62.100 -0.279 0.000 1.118 363 T CB -0.017 68.588 68.868 -0.438 0.000 0.909 363 T HN 0.004 nan 8.240 nan 0.000 0.501 364 K N 2.066 122.104 120.400 -0.603 0.000 3.125 364 K HA -0.116 4.204 4.320 0.001 0.000 0.268 364 K C 0.060 176.058 176.600 -1.003 0.000 1.078 364 K CA 1.260 57.066 56.287 -0.801 0.000 0.775 364 K CB -2.773 29.376 32.500 -0.586 0.000 1.253 364 K HN 0.915 nan 8.250 nan 0.000 0.486 365 T N -2.683 111.071 114.554 -1.333 0.000 2.883 365 T HA 0.737 5.088 4.350 0.001 0.000 0.301 365 T C -3.023 171.160 174.700 -0.862 0.000 1.158 365 T CA -1.738 59.807 62.100 -0.924 0.000 1.007 365 T CB 3.865 72.420 68.868 -0.521 0.000 1.186 365 T HN -0.137 nan 8.240 nan 0.000 0.499 366 P HA 0.573 nan 4.420 nan 0.000 0.283 366 P C -1.720 175.579 177.300 -0.002 0.000 1.271 366 P CA -0.535 62.509 63.100 -0.094 0.000 0.841 366 P CB 0.834 32.413 31.700 -0.202 0.000 1.122 367 Y N -1.724 118.621 120.300 0.075 0.000 2.604 367 Y HA 0.605 5.155 4.550 0.001 0.000 0.331 367 Y C -1.836 174.202 175.900 0.231 0.000 1.158 367 Y CA -1.396 56.791 58.100 0.146 0.000 1.056 367 Y CB 0.482 38.945 38.460 0.005 0.000 1.330 367 Y HN 0.109 nan 8.280 nan 0.000 0.457 368 L N 3.109 124.445 121.223 0.188 0.000 2.331 368 L HA 0.545 4.886 4.340 0.001 0.000 0.275 368 L C -1.319 175.749 176.870 0.330 0.000 1.022 368 L CA -1.143 53.786 54.840 0.148 0.000 0.812 368 L CB 1.761 43.824 42.059 0.006 0.000 1.257 368 L HN 0.765 nan 8.230 nan 0.000 0.435 369 Y N 2.105 122.545 120.300 0.233 0.000 2.373 369 Y HA 0.365 4.916 4.550 0.001 0.000 0.336 369 Y C -0.946 175.116 175.900 0.270 0.000 0.979 369 Y CA -0.967 57.316 58.100 0.305 0.000 1.080 369 Y CB 1.105 39.722 38.460 0.261 0.000 1.190 369 Y HN 0.487 nan 8.280 nan 0.000 0.446 370 H N 6.025 124.928 119.070 -0.279 0.000 2.673 370 H HA 0.538 5.094 4.556 0.001 0.000 0.293 370 H C 0.085 174.955 175.328 -0.763 0.000 1.065 370 H CA 0.503 56.269 56.048 -0.470 0.000 1.236 370 H CB 1.538 31.113 29.762 -0.312 0.000 1.389 370 H HN 0.953 nan 8.280 nan 0.000 0.481 371 A N 4.026 126.315 122.820 -0.884 0.000 1.873 371 A HA -0.178 4.142 4.320 0.001 0.000 0.215 371 A C 2.171 179.680 177.584 -0.124 0.000 1.186 371 A CA 1.356 53.055 52.037 -0.564 0.000 0.616 371 A CB -0.176 18.621 19.000 -0.338 0.000 0.823 371 A HN 0.764 nan 8.150 nan 0.000 0.442 372 Q N -0.558 119.206 119.800 -0.060 0.000 2.096 372 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 372 Q C 1.045 177.118 176.000 0.122 0.000 0.982 372 Q CA 1.859 57.708 55.803 0.077 0.000 0.850 372 Q CB -0.129 28.686 28.738 0.128 0.000 0.901 372 Q HN 0.673 nan 8.270 nan 0.000 0.422 373 N N -1.690 117.123 118.700 0.190 0.000 2.205 373 N HA 0.174 4.914 4.740 0.001 0.000 0.201 373 N C -0.362 175.134 175.510 -0.024 0.000 1.128 373 N CA 0.685 53.697 53.050 -0.064 0.000 0.867 373 N CB 1.566 39.827 38.487 -0.376 0.000 0.996 373 N HN 0.264 nan 8.380 nan 0.000 0.503 374 G N 0.865 109.698 108.800 0.055 0.000 2.324 374 G HA2 -0.222 3.738 3.960 0.001 0.000 0.292 374 G HA3 -0.222 3.738 3.960 0.001 0.000 0.292 374 G C -0.847 174.146 174.900 0.155 0.000 1.079 374 G CA -0.113 45.058 45.100 0.118 0.000 1.026 374 G HN 0.098 nan 8.290 nan 0.000 0.506 375 L N -0.504 120.853 121.223 0.224 0.000 2.330 375 L HA 0.928 5.269 4.340 0.001 0.000 0.271 375 L C -0.081 177.123 176.870 0.556 0.000 1.013 375 L CA -1.754 53.291 54.840 0.341 0.000 0.816 375 L CB 1.730 43.997 42.059 0.346 0.000 1.287 375 L HN 0.266 nan 8.230 nan 0.000 0.435 376 F N 2.236 122.411 119.950 0.375 0.000 2.561 376 F HA 0.766 5.294 4.527 0.001 0.000 0.313 376 F C -1.231 174.794 175.800 0.375 0.000 1.126 376 F CA -0.703 57.513 58.000 0.359 0.000 0.918 376 F CB 1.693 40.785 39.000 0.152 0.000 1.199 376 F HN 0.092 nan 8.300 nan 0.000 0.444 377 V N 4.430 124.068 119.914 -0.459 0.000 2.483 377 V HA 0.435 4.555 4.120 0.001 0.000 0.297 377 V C -0.405 175.435 176.094 -0.424 0.000 1.027 377 V CA -0.722 61.401 62.300 -0.295 0.000 0.855 377 V CB 1.683 33.433 31.823 -0.122 0.000 0.995 377 V HN 0.842 nan 8.190 nan 0.000 0.424 378 T N 5.477 119.918 114.554 -0.188 0.000 2.767 378 T HA 0.741 5.091 4.350 0.001 0.000 0.284 378 T C -0.874 173.962 174.700 0.227 0.000 0.973 378 T CA -0.164 61.956 62.100 0.035 0.000 0.996 378 T CB 0.368 69.329 68.868 0.154 0.000 0.927 378 T HN 0.798 nan 8.240 nan 0.000 0.456 379 Y N 1.608 121.912 120.300 0.008 0.000 2.840 379 Y HA 0.818 5.368 4.550 0.001 0.000 0.324 379 Y C -1.536 174.363 175.900 -0.002 0.000 1.378 379 Y CA -1.684 56.407 58.100 -0.015 0.000 1.077 379 Y CB 0.503 38.957 38.460 -0.010 0.000 1.361 379 Y HN 0.466 nan 8.280 nan 0.000 0.459 380 D N 0.390 120.708 120.400 -0.136 0.000 2.433 380 D HA 0.512 5.152 4.640 0.001 0.000 0.236 380 D C -1.379 174.642 176.300 -0.464 0.000 1.026 380 D CA -0.108 53.712 54.000 -0.299 0.000 0.884 380 D CB 1.857 42.647 40.800 -0.015 0.000 1.384 380 D HN 0.721 nan 8.370 nan 0.000 0.477 381 D N -0.811 119.197 120.400 -0.654 0.000 2.798 381 D HA 0.427 5.067 4.640 0.001 0.000 0.308 381 D C 0.387 176.152 176.300 -0.892 0.000 1.187 381 D CA -0.791 52.778 54.000 -0.717 0.000 1.033 381 D CB 0.367 41.096 40.800 -0.119 0.000 1.445 381 D HN 0.274 nan 8.370 nan 0.000 0.550 382 A N -0.549 121.926 122.820 -0.575 0.000 2.024 382 A HA -0.162 4.158 4.320 0.001 0.000 0.220 382 A C 1.878 179.463 177.584 0.002 0.000 1.164 382 A CA 2.239 54.110 52.037 -0.276 0.000 0.643 382 A CB -0.872 18.041 19.000 -0.145 0.000 0.806 382 A HN 0.600 nan 8.150 nan 0.000 0.451 383 E N 0.523 120.707 120.200 -0.026 0.000 2.076 383 E HA -0.110 4.240 4.350 0.001 0.000 0.190 383 E C 2.267 179.056 176.600 0.315 0.000 0.979 383 E CA 1.566 58.002 56.400 0.060 0.000 0.807 383 E CB -0.251 29.391 29.700 -0.097 0.000 0.761 383 E HN 0.662 nan 8.360 nan 0.000 0.454 384 S N -0.159 115.752 115.700 0.352 0.000 2.399 384 S HA -0.121 4.350 4.470 0.001 0.000 0.231 384 S C 1.807 176.712 174.600 0.509 0.000 1.022 384 S CA 0.734 59.225 58.200 0.485 0.000 0.983 384 S CB -0.588 62.720 63.200 0.180 0.000 0.803 384 S HN 0.187 nan 8.310 nan 0.000 0.480 385 F N 2.549 122.606 119.950 0.178 0.000 2.269 385 F HA 0.133 4.660 4.527 0.000 0.000 0.301 385 F C 2.243 178.096 175.800 0.089 0.000 1.082 385 F CA 0.123 58.220 58.000 0.163 0.000 1.360 385 F CB -0.802 38.298 39.000 0.168 0.000 1.041 385 F HN 0.285 nan 8.300 nan 0.000 0.512 386 K N -0.747 119.687 120.400 0.057 0.000 2.026 386 K HA -0.203 4.117 4.320 0.001 0.000 0.208 386 K C 1.988 178.421 176.600 -0.279 0.000 1.048 386 K CA 1.777 57.755 56.287 -0.515 0.000 0.929 386 K CB -0.491 31.605 32.500 -0.673 0.000 0.713 386 K HN 0.228 nan 8.250 nan 0.000 0.439 387 Y N 1.290 121.651 120.300 0.100 0.000 2.200 387 Y HA -0.125 4.426 4.550 0.001 0.000 0.290 387 Y C 2.151 178.140 175.900 0.149 0.000 1.137 387 Y CA 1.135 59.323 58.100 0.146 0.000 1.163 387 Y CB -0.111 38.449 38.460 0.168 0.000 0.988 387 Y HN -0.042 nan 8.280 nan 0.000 0.518 388 K N -0.070 120.498 120.400 0.280 0.000 2.097 388 K HA -0.095 4.225 4.320 0.001 0.000 0.205 388 K C 2.394 179.147 176.600 0.255 0.000 1.050 388 K CA 0.997 57.411 56.287 0.211 0.000 0.938 388 K CB -0.348 32.245 32.500 0.156 0.000 0.718 388 K HN 0.269 nan 8.250 nan 0.000 0.442 389 A N 2.034 124.964 122.820 0.182 0.000 1.902 389 A HA -0.221 4.099 4.320 0.001 0.000 0.217 389 A C 2.083 179.851 177.584 0.306 0.000 1.181 389 A CA 1.740 53.884 52.037 0.178 0.000 0.623 389 A CB -0.356 18.604 19.000 -0.066 0.000 0.818 389 A HN 0.237 nan 8.150 nan 0.000 0.443 390 K N -1.960 118.571 120.400 0.217 0.000 2.097 390 K HA -0.177 4.144 4.320 0.001 0.000 0.205 390 K C 1.898 178.658 176.600 0.267 0.000 1.050 390 K CA 1.498 57.917 56.287 0.222 0.000 0.938 390 K CB -0.386 32.208 32.500 0.156 0.000 0.718 390 K HN 0.493 nan 8.250 nan 0.000 0.442 391 Y N 1.327 121.737 120.300 0.183 0.000 2.145 391 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 391 Y C 1.750 177.746 175.900 0.160 0.000 1.145 391 Y CA 1.760 59.962 58.100 0.172 0.000 1.148 391 Y CB -0.099 38.431 38.460 0.116 0.000 0.981 391 Y HN 0.016 nan 8.280 nan 0.000 0.507 392 I N 0.118 120.873 120.570 0.307 0.000 2.208 392 I HA -0.366 3.805 4.170 0.001 0.000 0.245 392 I C 2.364 178.545 176.117 0.106 0.000 1.097 392 I CA 1.726 63.153 61.300 0.211 0.000 1.363 392 I CB -0.352 37.850 38.000 0.337 0.000 1.051 392 I HN 0.204 nan 8.210 nan 0.000 0.413 393 K N 0.159 120.665 120.400 0.176 0.000 2.025 393 K HA -0.192 4.128 4.320 0.001 0.000 0.207 393 K C 2.186 178.815 176.600 0.047 0.000 1.049 393 K CA 1.330 57.688 56.287 0.118 0.000 0.933 393 K CB -0.197 32.418 32.500 0.192 0.000 0.714 393 K HN 0.361 nan 8.250 nan 0.000 0.438 394 Q N 0.413 120.234 119.800 0.034 0.000 2.061 394 Q HA -0.163 4.178 4.340 0.001 0.000 0.204 394 Q C 1.810 177.760 176.000 -0.083 0.000 0.984 394 Q CA 1.184 56.979 55.803 -0.014 0.000 0.846 394 Q CB 0.097 28.833 28.738 -0.004 0.000 0.902 394 Q HN 0.242 nan 8.270 nan 0.000 0.421 395 Q N 0.149 119.835 119.800 -0.190 0.000 2.415 395 Q HA -0.010 4.330 4.340 0.001 0.000 0.206 395 Q C -0.274 175.678 176.000 -0.080 0.000 0.946 395 Q CA 0.284 55.971 55.803 -0.195 0.000 0.951 395 Q CB 0.423 28.927 28.738 -0.390 0.000 1.026 395 Q HN 0.401 nan 8.270 nan 0.000 0.510 396 Q N 0.382 120.156 119.800 -0.044 0.000 2.451 396 Q HA -0.195 4.145 4.340 0.001 0.000 0.305 396 Q C -0.610 175.386 176.000 -0.006 0.000 1.345 396 Q CA 0.230 56.024 55.803 -0.016 0.000 0.854 396 Q CB -1.850 26.884 28.738 -0.006 0.000 1.162 396 Q HN 0.369 nan 8.270 nan 0.000 0.440 397 L N -1.774 119.444 121.223 -0.008 0.000 2.468 397 L HA 0.283 4.623 4.340 0.001 0.000 0.254 397 L C 1.831 178.698 176.870 -0.005 0.000 1.171 397 L CA 0.397 55.245 54.840 0.013 0.000 0.809 397 L CB 0.181 42.262 42.059 0.036 0.000 1.155 397 L HN 0.308 nan 8.230 nan 0.000 0.473 398 G N -0.793 108.022 108.800 0.025 0.000 2.484 398 G HA2 0.356 4.316 3.960 0.001 0.000 0.218 398 G HA3 0.356 4.316 3.960 0.001 0.000 0.218 398 G C 0.557 175.367 174.900 -0.151 0.000 1.130 398 G CA 0.759 45.877 45.100 0.031 0.000 0.784 398 G HN 0.959 nan 8.290 nan 0.000 0.543 399 G N -2.007 106.690 108.800 -0.171 0.000 2.373 399 G HA2 0.355 4.315 3.960 0.001 0.000 0.250 399 G HA3 0.355 4.315 3.960 0.001 0.000 0.250 399 G C -1.685 173.186 174.900 -0.047 0.000 1.304 399 G CA 0.112 45.065 45.100 -0.243 0.000 0.948 399 G HN 0.821 nan 8.290 nan 0.000 0.474 400 V N 1.297 121.238 119.914 0.045 0.000 2.823 400 V HA 0.887 5.008 4.120 0.001 0.000 0.312 400 V C -0.537 175.605 176.094 0.080 0.000 1.072 400 V CA -0.672 61.715 62.300 0.145 0.000 0.937 400 V CB 1.773 33.775 31.823 0.297 0.000 1.013 400 V HN 1.189 nan 8.190 nan 0.000 0.430 401 M N 6.833 126.499 119.600 0.109 0.000 2.572 401 M HA 0.683 5.163 4.480 0.001 0.000 0.299 401 M C -2.089 174.353 176.300 0.237 0.000 1.205 401 M CA -0.580 54.762 55.300 0.070 0.000 0.876 401 M CB 2.036 34.690 32.600 0.090 0.000 1.728 401 M HN 0.761 nan 8.290 nan 0.000 0.458 402 F N 1.653 121.663 119.950 0.099 0.000 2.619 402 F HA 0.739 5.266 4.527 0.000 0.000 0.308 402 F C -2.069 173.782 175.800 0.086 0.000 1.097 402 F CA -1.001 56.988 58.000 -0.020 0.000 0.953 402 F CB 1.223 39.881 39.000 -0.569 0.000 1.287 402 F HN 0.688 nan 8.300 nan 0.000 0.446 403 W N 5.792 127.164 121.300 0.121 0.000 2.362 403 W HA 0.559 5.219 4.660 0.000 0.000 0.316 403 W C -1.923 174.731 176.519 0.225 0.000 1.024 403 W CA -0.698 56.717 57.345 0.117 0.000 1.270 403 W CB 1.334 30.756 29.460 -0.063 0.000 1.273 403 W HN 1.023 nan 8.180 nan 0.000 0.424 404 H N 2.222 121.155 119.070 -0.228 0.000 3.008 404 H HA 0.349 4.905 4.556 0.001 0.000 0.354 404 H C 0.538 175.785 175.328 -0.135 0.000 1.252 404 H CA -0.955 54.837 56.048 -0.428 0.000 1.117 404 H CB 1.280 30.322 29.762 -1.200 0.000 1.857 404 H HN 0.263 nan 8.280 nan 0.000 0.547 405 L N 0.874 122.173 121.223 0.127 0.000 2.034 405 L HA -0.216 4.125 4.340 0.001 0.000 0.217 405 L C 2.505 179.084 176.870 -0.485 0.000 1.077 405 L CA 2.082 57.015 54.840 0.155 0.000 0.769 405 L CB -0.679 41.577 42.059 0.329 0.000 0.890 405 L HN 1.060 nan 8.230 nan 0.000 0.435 406 G N -1.504 106.963 108.800 -0.556 0.000 2.527 406 G HA2 -0.225 3.735 3.960 0.001 0.000 0.219 406 G HA3 -0.225 3.735 3.960 0.001 0.000 0.219 406 G C 1.311 175.754 174.900 -0.762 0.000 1.117 406 G CA 0.356 44.855 45.100 -1.002 0.000 0.759 406 G HN 0.514 nan 8.290 nan 0.000 0.556 407 Q N -0.412 119.025 119.800 -0.604 0.000 2.282 407 Q HA 0.117 4.457 4.340 0.001 0.000 0.206 407 Q C 0.169 176.151 176.000 -0.031 0.000 0.878 407 Q CA -0.471 55.175 55.803 -0.260 0.000 0.944 407 Q CB 0.579 29.186 28.738 -0.218 0.000 1.100 407 Q HN 0.286 nan 8.270 nan 0.000 0.509 408 D N 1.686 122.076 120.400 -0.015 0.000 2.377 408 D HA -0.008 4.632 4.640 0.001 0.000 0.245 408 D C -0.111 176.247 176.300 0.098 0.000 1.196 408 D CA -0.137 53.861 54.000 -0.003 0.000 0.962 408 D CB 0.711 41.538 40.800 0.045 0.000 1.127 408 D HN 0.088 nan 8.370 nan 0.000 0.471 409 N N 0.447 119.231 118.700 0.140 0.000 2.347 409 N HA 0.051 4.792 4.740 0.001 0.000 0.253 409 N C 0.868 176.481 175.510 0.172 0.000 1.274 409 N CA -0.245 52.883 53.050 0.129 0.000 0.941 409 N CB 0.409 38.954 38.487 0.096 0.000 1.200 409 N HN 0.218 nan 8.380 nan 0.000 0.514 410 R N -0.364 120.221 120.500 0.142 0.000 2.159 410 R HA -0.044 4.296 4.340 0.001 0.000 0.237 410 R C 0.431 176.797 176.300 0.109 0.000 1.131 410 R CA 0.897 57.080 56.100 0.138 0.000 0.982 410 R CB -0.591 29.751 30.300 0.070 0.000 0.868 410 R HN 0.618 nan 8.270 nan 0.000 0.453 411 N N -0.313 118.436 118.700 0.082 0.000 2.463 411 N HA -0.034 4.707 4.740 0.001 0.000 0.181 411 N C 0.762 176.312 175.510 0.066 0.000 1.078 411 N CA 0.988 54.072 53.050 0.056 0.000 0.902 411 N CB 0.313 38.819 38.487 0.031 0.000 0.970 411 N HN 0.337 nan 8.380 nan 0.000 0.451 412 G N 1.601 110.461 108.800 0.100 0.000 2.246 412 G HA2 -0.251 3.710 3.960 0.001 0.000 0.273 412 G HA3 -0.251 3.710 3.960 0.001 0.000 0.273 412 G C 0.462 175.358 174.900 -0.006 0.000 1.055 412 G CA 0.413 45.569 45.100 0.093 0.000 0.851 412 G HN 0.230 nan 8.290 nan 0.000 0.500 413 D N -0.201 120.172 120.400 -0.046 0.000 2.144 413 D HA -0.066 4.574 4.640 0.001 0.000 0.199 413 D C 2.722 178.880 176.300 -0.235 0.000 0.984 413 D CA 0.989 54.922 54.000 -0.111 0.000 0.834 413 D CB 0.036 40.794 40.800 -0.071 0.000 0.955 413 D HN 0.553 nan 8.370 nan 0.000 0.465 414 L N 0.182 121.164 121.223 -0.403 0.000 2.056 414 L HA -0.140 4.201 4.340 0.001 0.000 0.207 414 L C 2.460 179.188 176.870 -0.237 0.000 1.078 414 L CA 0.478 54.981 54.840 -0.561 0.000 0.749 414 L CB -0.377 40.863 42.059 -1.364 0.000 0.901 414 L HN 0.085 nan 8.230 nan 0.000 0.433 415 L N 0.506 121.649 121.223 -0.133 0.000 2.017 415 L HA -0.121 4.219 4.340 0.001 0.000 0.208 415 L C 2.629 179.477 176.870 -0.036 0.000 1.073 415 L CA 2.038 56.890 54.840 0.020 0.000 0.745 415 L CB -0.748 41.405 42.059 0.156 0.000 0.894 415 L HN 0.122 nan 8.230 nan 0.000 0.432 416 A N -0.422 122.353 122.820 -0.075 0.000 1.933 416 A HA -0.088 4.232 4.320 0.001 0.000 0.218 416 A C 2.438 179.863 177.584 -0.265 0.000 1.175 416 A CA 1.784 53.753 52.037 -0.114 0.000 0.628 416 A CB -1.128 17.819 19.000 -0.089 0.000 0.814 416 A HN 0.613 nan 8.150 nan 0.000 0.444 417 A N -0.305 122.304 122.820 -0.353 0.000 1.930 417 A HA 0.035 4.356 4.320 0.001 0.000 0.217 417 A C 2.142 179.106 177.584 -1.033 0.000 1.175 417 A CA 1.330 52.928 52.037 -0.731 0.000 0.627 417 A CB -0.516 18.174 19.000 -0.516 0.000 0.815 417 A HN 0.466 nan 8.150 nan 0.000 0.443 418 L N -0.645 120.277 121.223 -0.502 0.000 2.046 418 L HA -0.194 4.146 4.340 0.001 0.000 0.208 418 L C 2.410 179.019 176.870 -0.434 0.000 1.077 418 L CA 1.882 56.439 54.840 -0.472 0.000 0.747 418 L CB -0.592 41.351 42.059 -0.194 0.000 0.896 418 L HN 0.493 nan 8.230 nan 0.000 0.432 419 D N 0.047 120.323 120.400 -0.207 0.000 2.117 419 D HA -0.232 4.409 4.640 0.001 0.000 0.198 419 D C 2.321 178.545 176.300 -0.127 0.000 0.982 419 D CA 1.052 55.023 54.000 -0.048 0.000 0.828 419 D CB 0.074 40.879 40.800 0.007 0.000 0.967 419 D HN 0.056 nan 8.370 nan 0.000 0.464 420 R N -1.033 119.280 120.500 -0.313 0.000 2.083 420 R HA -0.201 4.140 4.340 0.001 0.000 0.237 420 R C 1.825 177.951 176.300 -0.291 0.000 1.137 420 R CA 1.435 57.351 56.100 -0.307 0.000 0.951 420 R CB -0.461 29.566 30.300 -0.454 0.000 0.851 420 R HN 0.278 nan 8.270 nan 0.000 0.434 421 Y N -0.559 119.422 120.300 -0.532 0.000 2.421 421 Y HA -0.093 4.457 4.550 0.001 0.000 0.292 421 Y C 1.791 177.618 175.900 -0.122 0.000 1.136 421 Y CA 0.483 58.223 58.100 -0.601 0.000 1.255 421 Y CB -0.357 37.698 38.460 -0.674 0.000 0.991 421 Y HN 0.064 nan 8.280 nan 0.000 0.552 422 F N -0.539 119.489 119.950 0.130 0.000 2.374 422 F HA 0.061 4.588 4.527 0.000 0.000 0.291 422 F C 1.684 177.553 175.800 0.115 0.000 1.084 422 F CA 0.578 58.654 58.000 0.127 0.000 1.413 422 F CB -0.409 38.643 39.000 0.086 0.000 1.099 422 F HN 0.016 nan 8.300 nan 0.000 0.534 423 N N -0.259 118.606 118.700 0.275 0.000 2.227 423 N HA 0.223 4.963 4.740 0.001 0.000 0.196 423 N C 0.448 176.047 175.510 0.148 0.000 1.142 423 N CA 0.297 53.460 53.050 0.188 0.000 0.887 423 N CB 0.385 38.963 38.487 0.152 0.000 1.022 423 N HN 0.005 nan 8.380 nan 0.000 0.500 424 A N 0.865 123.773 122.820 0.148 0.000 2.409 424 A HA 0.554 4.875 4.320 0.001 0.000 0.267 424 A C 1.364 179.049 177.584 0.169 0.000 1.127 424 A CA 0.014 52.135 52.037 0.141 0.000 0.795 424 A CB 0.453 19.530 19.000 0.128 0.000 1.061 424 A HN 0.230 nan 8.150 nan 0.000 0.502 425 A N 2.277 125.169 122.820 0.120 0.000 2.015 425 A HA -0.085 4.235 4.320 0.001 0.000 0.219 425 A C 1.295 178.939 177.584 0.099 0.000 1.163 425 A CA 1.761 53.858 52.037 0.100 0.000 0.646 425 A CB -0.348 18.695 19.000 0.072 0.000 0.806 425 A HN 0.869 nan 8.150 nan 0.000 0.448 426 D N -2.738 117.730 120.400 0.114 0.000 2.358 426 D HA 0.101 4.741 4.640 0.001 0.000 0.224 426 D C -0.094 176.297 176.300 0.152 0.000 1.123 426 D CA -0.343 53.718 54.000 0.103 0.000 0.833 426 D CB -0.508 40.341 40.800 0.083 0.000 0.946 426 D HN 0.411 nan 8.370 nan 0.000 0.505 427 Y N 1.013 121.348 120.300 0.058 0.000 2.352 427 Y HA 0.477 5.027 4.550 0.001 0.000 0.339 427 Y C -1.580 174.350 175.900 0.050 0.000 0.992 427 Y CA -1.524 56.617 58.100 0.069 0.000 1.100 427 Y CB 1.683 40.221 38.460 0.129 0.000 1.192 427 Y HN -0.165 nan 8.280 nan 0.000 0.458 428 D N 4.335 124.337 120.400 -0.663 0.000 2.575 428 D HA 0.187 4.827 4.640 0.001 0.000 0.250 428 D C -0.928 174.982 176.300 -0.651 0.000 1.279 428 D CA -0.586 53.128 54.000 -0.477 0.000 0.925 428 D CB 1.042 41.711 40.800 -0.218 0.000 1.261 428 D HN 0.666 nan 8.370 nan 0.000 0.567 429 D N 1.364 121.448 120.400 -0.527 0.000 2.462 429 D HA 0.005 4.645 4.640 0.001 0.000 0.221 429 D C 1.187 177.394 176.300 -0.155 0.000 1.173 429 D CA 0.001 53.781 54.000 -0.367 0.000 0.831 429 D CB -0.028 40.628 40.800 -0.240 0.000 1.001 429 D HN 0.189 nan 8.370 nan 0.000 0.499 430 S N 0.155 115.782 115.700 -0.121 0.000 2.419 430 S HA -0.232 4.238 4.470 0.001 0.000 0.235 430 S C 1.493 176.071 174.600 -0.037 0.000 1.019 430 S CA 0.812 58.981 58.200 -0.051 0.000 0.982 430 S CB -0.316 62.861 63.200 -0.039 0.000 0.789 430 S HN 0.181 nan 8.310 nan 0.000 0.490 431 Q N 0.379 120.143 119.800 -0.060 0.000 2.282 431 Q HA 0.404 4.745 4.340 0.001 0.000 0.206 431 Q C -0.017 175.970 176.000 -0.022 0.000 0.878 431 Q CA -0.278 55.505 55.803 -0.032 0.000 0.944 431 Q CB -0.213 28.501 28.738 -0.039 0.000 1.100 431 Q HN 0.520 nan 8.270 nan 0.000 0.509 432 L N 2.863 124.059 121.223 -0.046 0.000 2.513 432 L HA 0.046 4.386 4.340 0.001 0.000 0.272 432 L C 0.007 176.928 176.870 0.084 0.000 1.187 432 L CA 0.459 55.280 54.840 -0.032 0.000 0.895 432 L CB 0.383 42.359 42.059 -0.137 0.000 1.147 432 L HN -0.054 nan 8.230 nan 0.000 0.483 433 D N 5.467 125.962 120.400 0.159 0.000 2.316 433 D HA 0.033 4.673 4.640 0.001 0.000 0.245 433 D C 0.915 177.425 176.300 0.350 0.000 1.171 433 D CA -0.401 53.721 54.000 0.203 0.000 0.856 433 D CB 1.078 41.973 40.800 0.158 0.000 1.090 433 D HN 0.568 nan 8.370 nan 0.000 0.476 434 M N 2.519 122.302 119.600 0.304 0.000 2.549 434 M HA 0.086 4.567 4.480 0.001 0.000 0.260 434 M C 1.319 177.767 176.300 0.246 0.000 1.076 434 M CA 0.514 56.052 55.300 0.397 0.000 1.090 434 M CB -1.476 31.345 32.600 0.368 0.000 1.418 434 M HN 0.676 nan 8.290 nan 0.000 0.486 435 G N 0.413 109.293 108.800 0.132 0.000 2.728 435 G HA2 -0.200 3.760 3.960 0.001 0.000 0.294 435 G HA3 -0.200 3.760 3.960 0.001 0.000 0.294 435 G C 0.163 175.030 174.900 -0.056 0.000 1.342 435 G CA 0.028 45.158 45.100 0.049 0.000 0.866 435 G HN 0.395 nan 8.290 nan 0.000 0.534 436 T N -1.615 112.908 114.554 -0.051 0.000 3.228 436 T HA 0.614 4.964 4.350 0.001 0.000 0.278 436 T C 1.230 175.873 174.700 -0.096 0.000 1.014 436 T CA 1.060 63.110 62.100 -0.084 0.000 0.904 436 T CB 0.440 69.288 68.868 -0.034 0.000 1.110 436 T HN 1.943 nan 8.240 nan 0.000 0.541 437 G N 1.548 110.284 108.800 -0.108 0.000 2.699 437 G HA2 0.497 4.457 3.960 0.001 0.000 0.246 437 G HA3 0.497 4.457 3.960 0.001 0.000 0.246 437 G C -0.069 174.784 174.900 -0.079 0.000 1.219 437 G CA -0.879 44.204 45.100 -0.027 0.000 0.866 437 G HN 0.583 nan 8.290 nan 0.000 0.572 438 L N 0.382 121.622 121.223 0.029 0.000 2.410 438 L HA 0.311 4.651 4.340 0.001 0.000 0.273 438 L C 0.665 177.607 176.870 0.121 0.000 1.152 438 L CA -0.475 54.391 54.840 0.043 0.000 0.855 438 L CB 0.443 42.544 42.059 0.070 0.000 1.129 438 L HN 0.320 nan 8.230 nan 0.000 0.463 439 R N 1.660 122.200 120.500 0.068 0.000 2.486 439 R HA 0.295 4.635 4.340 0.001 0.000 0.286 439 R C -0.900 175.532 176.300 0.220 0.000 0.999 439 R CA -0.626 55.579 56.100 0.176 0.000 0.993 439 R CB 0.704 31.046 30.300 0.069 0.000 1.084 439 R HN 0.322 nan 8.270 nan 0.000 0.487 440 Y N 1.269 121.686 120.300 0.194 0.000 2.393 440 Y HA 0.121 4.671 4.550 0.000 0.000 0.338 440 Y C 0.574 176.539 175.900 0.108 0.000 1.029 440 Y CA 0.323 58.517 58.100 0.157 0.000 1.239 440 Y CB 0.867 39.433 38.460 0.176 0.000 1.170 440 Y HN 0.699 nan 8.280 nan 0.000 0.515 441 T N 1.792 116.158 114.554 -0.313 0.000 3.228 441 T HA 0.340 4.690 4.350 0.001 0.000 0.278 441 T C 0.692 175.240 174.700 -0.252 0.000 1.014 441 T CA -0.124 61.874 62.100 -0.171 0.000 0.904 441 T CB -0.383 68.422 68.868 -0.106 0.000 1.110 441 T HN 0.806 nan 8.240 nan 0.000 0.541 442 G N 0.936 109.457 108.800 -0.464 0.000 2.491 442 G HA2 0.457 4.418 3.960 0.001 0.000 0.238 442 G HA3 0.457 4.418 3.960 0.001 0.000 0.238 442 G C -0.644 174.196 174.900 -0.101 0.000 1.277 442 G CA -0.225 44.705 45.100 -0.283 0.000 0.851 442 G HN 0.428 nan 8.290 nan 0.000 0.573 443 V N 1.811 121.632 119.914 -0.156 0.000 2.443 443 V HA 0.665 4.785 4.120 0.001 0.000 0.293 443 V C 0.747 176.714 176.094 -0.213 0.000 1.021 443 V CA -0.280 61.939 62.300 -0.134 0.000 0.848 443 V CB 1.341 33.085 31.823 -0.132 0.000 0.998 443 V HN 1.039 nan 8.190 nan 0.000 0.424 444 G N 4.270 112.959 108.800 -0.185 0.000 2.417 444 G HA2 0.583 4.544 3.960 0.001 0.000 0.334 444 G HA3 0.583 4.544 3.960 0.001 0.000 0.334 444 G C -2.162 172.507 174.900 -0.385 0.000 1.150 444 G CA -1.753 43.150 45.100 -0.328 0.000 0.923 444 G HN 0.531 nan 8.290 nan 0.000 0.485 445 P HA -0.009 nan 4.420 nan 0.000 0.231 445 P C 1.381 178.515 177.300 -0.276 0.000 1.154 445 P CA 1.248 64.034 63.100 -0.522 0.000 0.762 445 P CB 0.366 31.601 31.700 -0.775 0.000 0.790 446 G N -0.590 108.103 108.800 -0.179 0.000 3.277 446 G HA2 -0.014 3.946 3.960 0.001 0.000 0.243 446 G HA3 -0.014 3.946 3.960 0.001 0.000 0.243 446 G C 0.499 175.388 174.900 -0.018 0.000 1.107 446 G CA -0.127 44.949 45.100 -0.040 0.000 0.771 446 G HN 0.329 nan 8.290 nan 0.000 0.544 447 N N 0.116 118.788 118.700 -0.047 0.000 2.550 447 N HA 0.081 4.821 4.740 0.001 0.000 0.277 447 N C -0.371 175.109 175.510 -0.049 0.000 1.595 447 N CA -0.321 52.715 53.050 -0.024 0.000 0.888 447 N CB -0.606 37.888 38.487 0.011 0.000 1.424 447 N HN 0.043 nan 8.380 nan 0.000 0.501 448 L N 1.435 122.616 121.223 -0.069 0.000 2.461 448 L HA 0.351 4.691 4.340 0.001 0.000 0.272 448 L C -1.551 175.283 176.870 -0.060 0.000 1.197 448 L CA -1.226 53.566 54.840 -0.081 0.000 0.836 448 L CB 0.238 42.244 42.059 -0.089 0.000 1.105 448 L HN 0.060 nan 8.230 nan 0.000 0.477 449 P HA 0.113 nan 4.420 nan 0.000 0.274 449 P C -0.648 176.621 177.300 -0.052 0.000 1.246 449 P CA -0.506 62.567 63.100 -0.046 0.000 0.795 449 P CB 0.902 32.578 31.700 -0.040 0.000 1.006 450 I N 1.997 122.539 120.570 -0.046 0.000 2.533 450 I HA 0.185 4.356 4.170 0.001 0.000 0.284 450 I C 0.928 177.021 176.117 -0.041 0.000 1.109 450 I CA 0.553 61.823 61.300 -0.051 0.000 1.412 450 I CB -0.591 37.384 38.000 -0.042 0.000 1.396 450 I HN 0.381 nan 8.210 nan 0.000 0.543 451 M N 4.913 124.487 119.600 -0.044 0.000 2.631 451 M HA 0.445 4.925 4.480 0.001 0.000 0.288 451 M C -0.607 175.683 176.300 -0.017 0.000 1.260 451 M CA -0.570 54.714 55.300 -0.027 0.000 0.842 451 M CB 2.885 35.469 32.600 -0.027 0.000 1.743 451 M HN 0.416 nan 8.290 nan 0.000 0.461 452 T N 1.065 115.620 114.554 0.000 0.000 2.861 452 T HA 0.893 5.244 4.350 0.001 0.000 0.287 452 T C -1.279 173.440 174.700 0.032 0.000 1.003 452 T CA -0.779 61.328 62.100 0.012 0.000 0.977 452 T CB 1.835 70.709 68.868 0.010 0.000 0.996 452 T HN 0.778 nan 8.240 nan 0.000 0.448 453 A N 3.288 126.136 122.820 0.046 0.000 2.605 453 A HA 0.815 5.135 4.320 0.001 0.000 0.294 453 A C -3.216 174.415 177.584 0.078 0.000 1.062 453 A CA -1.621 50.458 52.037 0.069 0.000 0.682 453 A CB 0.681 19.734 19.000 0.088 0.000 1.278 453 A HN 0.568 nan 8.150 nan 0.000 0.410 454 P HA 0.381 nan 4.420 nan 0.000 0.266 454 P C 0.192 177.558 177.300 0.109 0.000 1.195 454 P CA 0.416 63.570 63.100 0.091 0.000 0.768 454 P CB 0.677 32.440 31.700 0.105 0.000 0.838 455 A N 3.379 126.259 122.820 0.099 0.000 2.507 455 A HA 0.063 4.383 4.320 0.001 0.000 0.235 455 A C -0.182 177.487 177.584 0.141 0.000 1.070 455 A CA -0.013 52.102 52.037 0.129 0.000 0.768 455 A CB -0.521 18.543 19.000 0.107 0.000 1.011 455 A HN 0.575 nan 8.150 nan 0.000 0.502 456 Y N 1.702 122.018 120.300 0.026 0.000 2.480 456 Y HA 0.373 4.924 4.550 0.001 0.000 0.338 456 Y C -0.193 175.722 175.900 0.026 0.000 1.220 456 Y CA 0.084 58.124 58.100 -0.100 0.000 1.430 456 Y CB 0.593 38.757 38.460 -0.493 0.000 1.311 456 Y HN 0.357 nan 8.280 nan 0.000 0.575 457 V N 8.616 128.062 119.914 -0.780 0.000 2.349 457 V HA 0.302 4.423 4.120 0.001 0.000 0.284 457 V C -2.267 173.276 176.094 -0.919 0.000 1.014 457 V CA -2.091 59.847 62.300 -0.604 0.000 0.826 457 V CB 1.062 32.736 31.823 -0.248 0.000 1.009 457 V HN 0.740 nan 8.190 nan 0.000 0.431 458 P HA 0.187 nan 4.420 nan 0.000 0.266 458 P C 1.090 178.279 177.300 -0.186 0.000 1.193 458 P CA 1.446 64.349 63.100 -0.328 0.000 0.770 458 P CB 0.638 32.299 31.700 -0.066 0.000 0.836 459 G N 0.939 109.698 108.800 -0.069 0.000 2.179 459 G HA2 -0.216 3.745 3.960 0.001 0.000 0.260 459 G HA3 -0.216 3.745 3.960 0.001 0.000 0.260 459 G C 0.305 175.142 174.900 -0.105 0.000 0.977 459 G CA 0.258 45.320 45.100 -0.062 0.000 0.641 459 G HN 0.614 nan 8.290 nan 0.000 0.533 460 T N 1.218 115.678 114.554 -0.156 0.000 2.922 460 T HA 0.589 4.940 4.350 0.001 0.000 0.285 460 T C 0.208 174.761 174.700 -0.244 0.000 1.005 460 T CA 0.412 62.345 62.100 -0.278 0.000 1.061 460 T CB 1.630 70.186 68.868 -0.520 0.000 1.007 460 T HN 0.168 nan 8.240 nan 0.000 0.502 461 T N 2.839 117.197 114.554 -0.326 0.000 2.758 461 T HA 0.480 4.830 4.350 0.001 0.000 0.285 461 T C -1.001 173.512 174.700 -0.311 0.000 0.981 461 T CA -0.350 61.602 62.100 -0.246 0.000 0.965 461 T CB 0.136 68.880 68.868 -0.207 0.000 0.927 461 T HN 0.384 nan 8.240 nan 0.000 0.448 462 Y N 1.241 121.521 120.300 -0.034 0.000 2.420 462 Y HA 0.640 5.190 4.550 0.000 0.000 0.334 462 Y C 0.647 176.502 175.900 -0.074 0.000 1.094 462 Y CA -1.063 57.026 58.100 -0.018 0.000 1.126 462 Y CB 1.161 39.642 38.460 0.035 0.000 1.217 462 Y HN 0.766 nan 8.280 nan 0.000 0.462 463 A N 1.806 124.703 122.820 0.128 0.000 2.246 463 A HA 0.318 4.638 4.320 0.001 0.000 0.291 463 A C -0.329 177.258 177.584 0.004 0.000 1.103 463 A CA -0.753 51.323 52.037 0.066 0.000 0.844 463 A CB 0.386 19.427 19.000 0.068 0.000 1.136 463 A HN 0.790 nan 8.150 nan 0.000 0.500 464 Q N -0.670 119.132 119.800 0.003 0.000 2.337 464 Q HA 0.392 4.732 4.340 0.001 0.000 0.270 464 Q C 1.040 177.028 176.000 -0.020 0.000 1.002 464 Q CA 1.139 56.922 55.803 -0.033 0.000 0.888 464 Q CB 0.250 29.007 28.738 0.032 0.000 1.222 464 Q HN 1.782 nan 8.270 nan 0.000 0.400 465 G N 2.081 110.848 108.800 -0.054 0.000 2.176 465 G HA2 -0.317 3.644 3.960 0.001 0.000 0.253 465 G HA3 -0.317 3.644 3.960 0.001 0.000 0.253 465 G C 0.220 175.133 174.900 0.021 0.000 0.979 465 G CA 0.027 45.122 45.100 -0.009 0.000 0.641 465 G HN 1.015 nan 8.290 nan 0.000 0.530 466 A N -0.301 122.533 122.820 0.023 0.000 2.466 466 A HA 0.672 4.992 4.320 0.001 0.000 0.238 466 A C 0.289 177.955 177.584 0.135 0.000 1.074 466 A CA 0.567 52.670 52.037 0.109 0.000 0.774 466 A CB 0.350 19.476 19.000 0.210 0.000 1.015 466 A HN 1.034 nan 8.150 nan 0.000 0.498 467 L N 1.490 122.812 121.223 0.164 0.000 2.386 467 L HA 0.684 5.024 4.340 0.001 0.000 0.271 467 L C -0.485 176.482 176.870 0.162 0.000 0.993 467 L CA -0.790 54.157 54.840 0.178 0.000 0.819 467 L CB 2.130 44.262 42.059 0.122 0.000 1.294 467 L HN 0.730 nan 8.230 nan 0.000 0.414 468 V N -0.586 119.422 119.914 0.156 0.000 3.049 468 V HA 0.772 4.892 4.120 0.001 0.000 0.309 468 V C -0.373 175.820 176.094 0.164 0.000 1.148 468 V CA -0.679 61.677 62.300 0.093 0.000 0.990 468 V CB 2.006 33.774 31.823 -0.091 0.000 1.039 468 V HN 0.748 nan 8.190 nan 0.000 0.430 469 S N 2.623 118.425 115.700 0.170 0.000 2.508 469 S HA 0.842 5.312 4.470 0.001 0.000 0.284 469 S C -1.013 173.776 174.600 0.316 0.000 1.192 469 S CA -0.516 57.811 58.200 0.213 0.000 1.070 469 S CB 1.175 64.448 63.200 0.122 0.000 1.004 469 S HN 1.669 nan 8.310 nan 0.000 0.493 470 Y N 1.307 121.730 120.300 0.205 0.000 2.333 470 Y HA 0.232 4.782 4.550 0.001 0.000 0.319 470 Y C -0.601 175.455 175.900 0.261 0.000 1.200 470 Y CA -0.520 57.656 58.100 0.126 0.000 1.084 470 Y CB 1.048 39.396 38.460 -0.186 0.000 1.268 470 Y HN 0.962 nan 8.280 nan 0.000 0.422 471 Q N 4.350 123.954 119.800 -0.327 0.000 2.439 471 Q HA -0.239 4.102 4.340 0.001 0.000 0.325 471 Q C 1.045 177.053 176.000 0.013 0.000 1.372 471 Q CA 1.426 57.099 55.803 -0.217 0.000 0.909 471 Q CB -1.575 26.965 28.738 -0.329 0.000 1.167 471 Q HN 1.585 nan 8.270 nan 0.000 0.418 472 G N -1.906 106.849 108.800 -0.076 0.000 2.179 472 G HA2 -0.335 3.625 3.960 0.001 0.000 0.260 472 G HA3 -0.335 3.625 3.960 0.001 0.000 0.260 472 G C -0.322 174.245 174.900 -0.556 0.000 0.977 472 G CA 0.552 45.475 45.100 -0.296 0.000 0.641 472 G HN 0.442 nan 8.290 nan 0.000 0.533 473 Y N -1.887 118.377 120.300 -0.061 0.000 2.638 473 Y HA 0.656 5.206 4.550 0.001 0.000 0.339 473 Y C 0.057 175.827 175.900 -0.217 0.000 1.084 473 Y CA -1.169 56.769 58.100 -0.271 0.000 1.068 473 Y CB 1.953 40.013 38.460 -0.667 0.000 1.294 473 Y HN 0.107 nan 8.280 nan 0.000 0.480 474 V N 1.257 121.076 119.914 -0.158 0.000 2.459 474 V HA 0.368 4.488 4.120 0.001 0.000 0.295 474 V C -1.372 174.618 176.094 -0.173 0.000 1.029 474 V CA -0.839 61.441 62.300 -0.035 0.000 0.874 474 V CB 0.839 32.655 31.823 -0.012 0.000 0.985 474 V HN 0.650 nan 8.190 nan 0.000 0.438 475 W N 2.654 123.962 121.300 0.012 0.000 2.781 475 W HA 0.745 5.405 4.660 0.001 0.000 0.345 475 W C -0.153 176.487 176.519 0.202 0.000 1.085 475 W CA -0.628 56.756 57.345 0.065 0.000 1.198 475 W CB 1.319 30.758 29.460 -0.035 0.000 1.423 475 W HN 0.423 nan 8.180 nan 0.000 0.532 476 Q N 1.091 121.162 119.800 0.451 0.000 2.356 476 Q HA 0.477 4.817 4.340 0.001 0.000 0.270 476 Q C -0.302 175.725 176.000 0.045 0.000 1.058 476 Q CA -0.618 55.329 55.803 0.241 0.000 0.802 476 Q CB 1.999 30.798 28.738 0.101 0.000 1.303 476 Q HN 0.558 nan 8.270 nan 0.000 0.444 477 T N 0.551 114.930 114.554 -0.292 0.000 2.884 477 T HA 0.274 4.624 4.350 0.001 0.000 0.298 477 T C 0.440 174.891 174.700 -0.415 0.000 0.998 477 T CA -0.432 61.246 62.100 -0.704 0.000 1.124 477 T CB 1.054 69.417 68.868 -0.842 0.000 0.931 477 T HN 0.685 nan 8.240 nan 0.000 0.531 478 K N 1.587 121.670 120.400 -0.529 0.000 2.400 478 K HA 0.226 4.546 4.320 0.001 0.000 0.194 478 K C -0.084 176.535 176.600 0.031 0.000 1.033 478 K CA 0.079 56.246 56.287 -0.199 0.000 1.021 478 K CB 0.187 32.630 32.500 -0.097 0.000 0.808 478 K HN 0.854 nan 8.250 nan 0.000 0.505 479 W N -1.589 119.633 121.300 -0.129 0.000 2.940 479 W HA 0.619 5.280 4.660 0.001 0.000 0.394 479 W C -0.342 176.121 176.519 -0.094 0.000 1.155 479 W CA -1.408 55.885 57.345 -0.086 0.000 1.165 479 W CB -0.093 29.329 29.460 -0.065 0.000 1.492 479 W HN -0.176 nan 8.180 nan 0.000 0.593 480 G N -0.968 108.004 108.800 0.286 0.000 2.557 480 G HA2 0.395 4.355 3.960 0.001 0.000 0.302 480 G HA3 0.395 4.355 3.960 0.001 0.000 0.302 480 G C -1.091 173.980 174.900 0.285 0.000 1.311 480 G CA -0.544 44.664 45.100 0.179 0.000 1.030 480 G HN 1.541 nan 8.290 nan 0.000 0.509 481 Y N -1.397 118.942 120.300 0.066 0.000 3.125 481 Y HA -0.177 4.374 4.550 0.001 0.000 0.200 481 Y C -0.323 175.617 175.900 0.067 0.000 1.373 481 Y CA -0.621 57.519 58.100 0.067 0.000 1.180 481 Y CB -1.451 37.057 38.460 0.080 0.000 1.381 481 Y HN 0.246 nan 8.280 nan 0.000 0.501 482 I N 2.264 122.749 120.570 -0.143 0.000 2.325 482 I HA 0.200 4.370 4.170 0.001 0.000 0.291 482 I C 1.420 177.486 176.117 -0.084 0.000 1.019 482 I CA 0.574 61.767 61.300 -0.178 0.000 1.302 482 I CB 0.988 38.751 38.000 -0.395 0.000 1.401 482 I HN 0.483 nan 8.210 nan 0.000 0.485 483 T N 0.214 114.707 114.554 -0.101 0.000 3.040 483 T HA 0.147 4.497 4.350 0.001 0.000 0.266 483 T C 0.676 175.439 174.700 0.104 0.000 1.005 483 T CA -0.281 61.800 62.100 -0.031 0.000 0.906 483 T CB 0.034 68.804 68.868 -0.164 0.000 1.082 483 T HN 0.535 nan 8.240 nan 0.000 0.531 484 S N 1.143 116.920 115.700 0.128 0.000 2.672 484 S HA 0.816 5.287 4.470 0.001 0.000 0.276 484 S C 0.208 174.853 174.600 0.075 0.000 1.207 484 S CA -0.755 57.511 58.200 0.109 0.000 1.002 484 S CB 1.235 64.479 63.200 0.074 0.000 0.998 484 S HN 0.599 nan 8.310 nan 0.000 0.542 485 A N 1.761 124.417 122.820 -0.274 0.000 2.340 485 A HA 0.694 5.014 4.320 0.001 0.000 0.268 485 A C -2.576 174.251 177.584 -1.262 0.000 1.100 485 A CA -1.929 49.471 52.037 -1.062 0.000 0.803 485 A CB -0.622 17.886 19.000 -0.819 0.000 1.043 485 A HN 0.663 nan 8.150 nan 0.000 0.488 486 P HA 0.272 nan 4.420 nan 0.000 0.269 486 P C 1.176 177.596 177.300 -1.466 0.000 1.217 486 P CA 1.682 63.365 63.100 -2.361 0.000 0.783 486 P CB 0.598 30.503 31.700 -2.991 0.000 0.898 487 G N -0.155 107.778 108.800 -1.444 0.000 2.347 487 G HA2 -0.273 3.687 3.960 0.001 0.000 0.247 487 G HA3 -0.273 3.687 3.960 0.001 0.000 0.247 487 G C 0.618 175.353 174.900 -0.276 0.000 1.037 487 G CA 0.553 45.257 45.100 -0.659 0.000 0.622 487 G HN 0.822 nan 8.290 nan 0.000 0.521 488 S N 1.191 116.702 115.700 -0.315 0.000 2.693 488 S HA 0.504 4.974 4.470 0.001 0.000 0.276 488 S C 0.903 175.474 174.600 -0.047 0.000 1.192 488 S CA 0.972 59.088 58.200 -0.140 0.000 0.994 488 S CB 0.834 63.942 63.200 -0.154 0.000 1.012 488 S HN 1.757 nan 8.310 nan 0.000 0.550 489 D N 1.311 121.717 120.400 0.011 0.000 3.551 489 D HA -0.238 4.403 4.640 0.001 0.000 0.248 489 D C 0.139 176.486 176.300 0.078 0.000 1.937 489 D CA 1.494 55.531 54.000 0.062 0.000 1.068 489 D CB -1.435 39.411 40.800 0.076 0.000 0.837 489 D HN 1.045 nan 8.370 nan 0.000 0.985 490 S N -2.330 113.433 115.700 0.106 0.000 2.819 490 S HA 0.619 5.090 4.470 0.001 0.000 0.249 490 S C 1.220 175.773 174.600 -0.078 0.000 1.030 490 S CA 0.454 58.721 58.200 0.111 0.000 1.052 490 S CB 0.589 63.919 63.200 0.216 0.000 1.017 490 S HN 0.910 nan 8.310 nan 0.000 0.576 491 A N 0.502 123.091 122.820 -0.385 0.000 2.169 491 A HA 0.352 4.673 4.320 0.001 0.000 0.212 491 A C 0.134 177.180 177.584 -0.896 0.000 1.153 491 A CA -0.136 51.163 52.037 -1.230 0.000 0.756 491 A CB -0.388 17.771 19.000 -1.401 0.000 0.813 491 A HN 0.675 nan 8.150 nan 0.000 0.471 492 W N -0.784 120.304 121.300 -0.354 0.000 2.433 492 W HA 0.575 5.235 4.660 0.001 0.000 0.315 492 W C -0.498 176.054 176.519 0.055 0.000 1.087 492 W CA -0.810 56.424 57.345 -0.185 0.000 1.205 492 W CB 1.157 30.440 29.460 -0.296 0.000 1.288 492 W HN 0.059 nan 8.180 nan 0.000 0.504 493 L N 4.223 125.649 121.223 0.339 0.000 2.287 493 L HA 0.424 4.764 4.340 0.001 0.000 0.287 493 L C -0.016 176.961 176.870 0.179 0.000 1.022 493 L CA -1.116 53.855 54.840 0.218 0.000 0.814 493 L CB 0.945 43.051 42.059 0.078 0.000 1.217 493 L HN 0.329 nan 8.230 nan 0.000 0.420 494 K N 3.637 123.980 120.400 -0.096 0.000 2.378 494 K HA 0.271 4.591 4.320 0.001 0.000 0.288 494 K C 0.548 176.924 176.600 -0.373 0.000 1.057 494 K CA 0.308 56.208 56.287 -0.645 0.000 0.971 494 K CB 0.497 32.378 32.500 -1.031 0.000 0.975 494 K HN 0.640 nan 8.250 nan 0.000 0.475 495 V N 0.721 120.464 119.914 -0.286 0.000 3.502 495 V HA 0.484 4.604 4.120 0.001 0.000 0.288 495 V C 0.449 176.456 176.094 -0.145 0.000 1.461 495 V CA 0.336 62.534 62.300 -0.170 0.000 1.029 495 V CB 0.377 32.154 31.823 -0.077 0.000 0.843 495 V HN 0.680 nan 8.190 nan 0.000 0.438 496 G N -0.068 108.636 108.800 -0.159 0.000 2.608 496 G HA2 0.631 4.591 3.960 0.001 0.000 0.291 496 G HA3 0.631 4.591 3.960 0.001 0.000 0.291 496 G C -1.636 173.219 174.900 -0.076 0.000 1.425 496 G CA -1.160 43.881 45.100 -0.098 0.000 0.787 496 G HN 0.173 nan 8.290 nan 0.000 0.484 497 R N -0.528 119.914 120.500 -0.097 0.000 2.532 497 R HA 0.581 4.921 4.340 0.001 0.000 0.295 497 R C -0.633 175.567 176.300 -0.167 0.000 0.968 497 R CA -0.705 55.282 56.100 -0.188 0.000 0.916 497 R CB 2.372 32.562 30.300 -0.183 0.000 1.124 497 R HN 0.269 nan 8.270 nan 0.000 0.463 498 V N 3.271 123.052 119.914 -0.221 0.000 2.432 498 V HA 0.213 4.333 4.120 0.001 0.000 0.271 498 V C 0.787 176.800 176.094 -0.134 0.000 1.046 498 V CA -0.284 61.931 62.300 -0.142 0.000 0.945 498 V CB 1.048 32.791 31.823 -0.134 0.000 0.992 498 V HN 0.946 nan 8.190 nan 0.000 0.471 499 A N 0.000 122.767 122.820 -0.088 0.000 2.254 499 A HA 0.000 4.320 4.320 0.001 0.000 0.244 499 A CA 0.000 51.992 52.037 -0.075 0.000 0.836 499 A CB 0.000 18.970 19.000 -0.051 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486