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 3hl9_1_C DATA FIRST_RESID 10 DATA SEQUENCE AADPVVLMET AFRKAVKSRQ IPGAVIMARD ASGNLNYTRC FGARTVRRDE DATA SEQUENCE NNQLPPLQVD TPCRLASATK LLTTIMALQC MERGLVDLDE TVDRLLPDLS DATA SEQUENCE AMPVLEGFDD AGNARLRERR GKITLRHLLT HTSGLSYVFL HPLLREYMAQ DATA SEQUENCE GHLQSAEKFG IQSRLAPPAV NDPGAEWIYG ANLDWAGKLV ERATGLDLEQ DATA SEQUENCE YLQENICAPL GITDMTFKLQ QRPDMLARRA DQTHRNSADG RLRYDXXXXX DATA SEQUENCE XXXXXXCFGG QGVFSGPGSY MKVLHSLLKR DGLLLQPQTV DLMFQPALEP DATA SEQUENCE RLEEQMNQHM DASPHINYGG PMPMVLRRSF GLGGIIALED LDGENWRRKG DATA SEQUENCE SLTFGGGPNI VWQIDPKAGL CTLAFFQLEP WNDPVCRDLT RTFEHAIYAQ DATA SEQUENCE YQQG 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.619 177.584 0.059 0.000 1.274 10 A CA 0.000 52.085 52.037 0.080 0.000 0.836 10 A CB 0.000 19.068 19.000 0.113 0.000 0.831 11 A N 1.027 123.876 122.820 0.049 0.000 2.406 11 A HA 0.460 4.780 4.320 0.001 0.000 0.243 11 A C 0.830 178.435 177.584 0.036 0.000 1.082 11 A CA 0.660 52.716 52.037 0.033 0.000 0.786 11 A CB -0.135 18.877 19.000 0.019 0.000 1.029 11 A HN 0.838 nan 8.150 nan 0.000 0.495 12 D N 1.120 121.537 120.400 0.028 0.000 2.126 12 D HA -0.133 4.508 4.640 0.001 0.000 0.190 12 D C -0.715 175.603 176.300 0.030 0.000 1.001 12 D CA 2.413 56.429 54.000 0.027 0.000 0.841 12 D CB -1.440 39.371 40.800 0.019 0.000 0.949 12 D HN 0.451 nan 8.370 nan 0.000 0.446 13 P HA -0.037 nan 4.420 nan 0.000 0.217 13 P C 1.657 178.984 177.300 0.045 0.000 1.151 13 P CA 0.545 63.661 63.100 0.028 0.000 0.828 13 P CB 0.133 31.846 31.700 0.020 0.000 0.788 14 V N 0.115 120.053 119.914 0.041 0.000 2.515 14 V HA -0.159 3.962 4.120 0.001 0.000 0.250 14 V C 2.540 178.705 176.094 0.119 0.000 1.058 14 V CA 1.915 64.251 62.300 0.060 0.000 1.064 14 V CB -1.244 30.588 31.823 0.015 0.000 0.675 14 V HN 0.044 nan 8.190 nan 0.000 0.461 15 V N -2.147 117.826 119.914 0.099 0.000 2.488 15 V HA -0.103 4.018 4.120 0.001 0.000 0.246 15 V C 2.172 178.325 176.094 0.098 0.000 1.046 15 V CA 1.392 63.757 62.300 0.107 0.000 1.053 15 V CB -0.760 31.112 31.823 0.082 0.000 0.679 15 V HN 0.407 nan 8.190 nan 0.000 0.458 16 L N -0.629 120.639 121.223 0.075 0.000 2.046 16 L HA -0.140 4.201 4.340 0.001 0.000 0.208 16 L C 2.859 179.780 176.870 0.085 0.000 1.077 16 L CA 2.378 57.255 54.840 0.061 0.000 0.747 16 L CB -0.554 41.527 42.059 0.037 0.000 0.896 16 L HN 0.369 nan 8.230 nan 0.000 0.432 17 M N 0.264 119.935 119.600 0.118 0.000 2.065 17 M HA -0.256 4.225 4.480 0.001 0.000 0.259 17 M C 2.075 178.520 176.300 0.241 0.000 1.071 17 M CA 2.011 57.428 55.300 0.196 0.000 1.109 17 M CB -0.349 32.384 32.600 0.222 0.000 1.313 17 M HN 0.245 nan 8.290 nan 0.000 0.408 18 E N -0.445 119.881 120.200 0.210 0.000 2.085 18 E HA -0.207 4.144 4.350 0.001 0.000 0.194 18 E C 1.796 178.458 176.600 0.103 0.000 0.994 18 E CA 2.157 58.679 56.400 0.204 0.000 0.801 18 E CB -0.175 29.712 29.700 0.310 0.000 0.743 18 E HN 0.730 nan 8.360 nan 0.000 0.453 19 T N -1.402 113.216 114.554 0.107 0.000 2.985 19 T HA 0.095 4.445 4.350 0.001 0.000 0.266 19 T C 2.045 176.761 174.700 0.026 0.000 1.076 19 T CA 0.712 62.852 62.100 0.067 0.000 1.135 19 T CB -0.025 68.882 68.868 0.064 0.000 0.890 19 T HN 0.138 nan 8.240 nan 0.000 0.480 20 A N 0.739 123.582 122.820 0.038 0.000 1.972 20 A HA 0.129 4.450 4.320 0.001 0.000 0.219 20 A C 1.939 179.470 177.584 -0.088 0.000 1.169 20 A CA 1.005 53.034 52.037 -0.014 0.000 0.635 20 A CB -1.080 17.918 19.000 -0.002 0.000 0.810 20 A HN 0.476 nan 8.150 nan 0.000 0.446 21 F N -0.560 119.227 119.950 -0.271 0.000 2.113 21 F HA -0.074 4.454 4.527 0.001 0.000 0.297 21 F C 2.440 178.006 175.800 -0.390 0.000 1.103 21 F CA 1.831 59.554 58.000 -0.462 0.000 1.248 21 F CB -0.232 38.100 39.000 -1.112 0.000 0.999 21 F HN 0.104 nan 8.300 nan 0.000 0.475 22 R N 1.066 121.475 120.500 -0.152 0.000 2.115 22 R HA -0.132 4.209 4.340 0.001 0.000 0.230 22 R C 2.160 178.463 176.300 0.005 0.000 1.111 22 R CA 1.238 57.331 56.100 -0.012 0.000 0.976 22 R CB -0.497 29.851 30.300 0.081 0.000 0.870 22 R HN 0.183 nan 8.270 nan 0.000 0.445 23 K N -0.365 120.022 120.400 -0.021 0.000 2.002 23 K HA -0.101 4.219 4.320 0.001 0.000 0.209 23 K C 1.768 178.346 176.600 -0.038 0.000 1.048 23 K CA 1.640 57.913 56.287 -0.024 0.000 0.930 23 K CB -0.249 32.230 32.500 -0.036 0.000 0.714 23 K HN 0.190 nan 8.250 nan 0.000 0.438 24 A N 0.931 123.706 122.820 -0.076 0.000 1.972 24 A HA -0.074 4.247 4.320 0.001 0.000 0.219 24 A C 2.251 179.818 177.584 -0.028 0.000 1.169 24 A CA 1.436 53.423 52.037 -0.082 0.000 0.635 24 A CB -0.452 18.453 19.000 -0.160 0.000 0.810 24 A HN 0.204 nan 8.150 nan 0.000 0.446 25 V N -0.008 119.908 119.914 0.005 0.000 2.358 25 V HA -0.221 3.900 4.120 0.001 0.000 0.246 25 V C 2.522 178.643 176.094 0.044 0.000 1.047 25 V CA 2.352 64.685 62.300 0.054 0.000 1.035 25 V CB -0.507 31.379 31.823 0.105 0.000 0.658 25 V HN 0.729 nan 8.190 nan 0.000 0.452 26 K N 0.939 121.358 120.400 0.033 0.000 2.076 26 K HA -0.096 4.225 4.320 0.001 0.000 0.204 26 K C 1.882 178.491 176.600 0.016 0.000 1.051 26 K CA 1.405 57.709 56.287 0.029 0.000 0.949 26 K CB -0.178 32.339 32.500 0.028 0.000 0.726 26 K HN 0.555 nan 8.250 nan 0.000 0.443 27 S N 0.434 116.136 115.700 0.003 0.000 2.803 27 S HA 0.136 4.607 4.470 0.001 0.000 0.228 27 S C 0.193 174.790 174.600 -0.005 0.000 0.953 27 S CA -0.109 58.089 58.200 -0.005 0.000 0.983 27 S CB -0.035 63.155 63.200 -0.018 0.000 0.784 27 S HN 0.331 nan 8.310 nan 0.000 0.498 28 R N 0.192 120.696 120.500 0.007 0.000 3.847 28 R HA -0.204 4.137 4.340 0.001 0.000 0.304 28 R C 1.086 177.385 176.300 -0.002 0.000 1.203 28 R CA 1.292 57.399 56.100 0.011 0.000 0.835 28 R CB -2.540 27.768 30.300 0.013 0.000 1.253 28 R HN 0.721 nan 8.270 nan 0.000 0.516 29 Q N -0.469 119.321 119.800 -0.017 0.000 2.137 29 Q HA 0.122 4.463 4.340 0.001 0.000 0.198 29 Q C 1.121 177.099 176.000 -0.036 0.000 0.960 29 Q CA 1.503 57.281 55.803 -0.041 0.000 0.847 29 Q CB 0.218 28.916 28.738 -0.068 0.000 0.915 29 Q HN 0.653 nan 8.270 nan 0.000 0.448 30 I N -4.473 116.095 120.570 -0.004 0.000 2.892 30 I HA 0.373 4.544 4.170 0.001 0.000 0.306 30 I C -2.437 173.732 176.117 0.087 0.000 1.078 30 I CA -2.694 58.633 61.300 0.045 0.000 1.032 30 I CB 1.931 39.993 38.000 0.104 0.000 1.229 30 I HN -0.249 nan 8.210 nan 0.000 0.435 31 P HA 0.231 nan 4.420 nan 0.000 0.219 31 P C 0.391 177.778 177.300 0.146 0.000 1.154 31 P CA 0.669 63.842 63.100 0.122 0.000 0.826 31 P CB 0.204 31.982 31.700 0.130 0.000 0.795 32 G N -1.946 106.971 108.800 0.195 0.000 2.320 32 G HA2 0.535 4.496 3.960 0.001 0.000 0.297 32 G HA3 0.535 4.496 3.960 0.001 0.000 0.297 32 G C -2.133 172.885 174.900 0.198 0.000 1.344 32 G CA 0.006 45.230 45.100 0.206 0.000 0.851 32 G HN 0.176 nan 8.290 nan 0.000 0.567 33 A N -1.045 121.862 122.820 0.145 0.000 2.555 33 A HA 0.757 5.078 4.320 0.001 0.000 0.297 33 A C -1.199 176.359 177.584 -0.043 0.000 1.060 33 A CA -0.359 51.615 52.037 -0.104 0.000 0.710 33 A CB 1.627 20.450 19.000 -0.295 0.000 1.282 33 A HN 1.814 nan 8.150 nan 0.000 0.399 34 V N 3.345 123.176 119.914 -0.139 0.000 2.398 34 V HA 0.639 4.760 4.120 0.001 0.000 0.286 34 V C 0.038 176.021 176.094 -0.184 0.000 1.026 34 V CA -0.243 61.958 62.300 -0.165 0.000 0.868 34 V CB 0.988 32.706 31.823 -0.174 0.000 0.982 34 V HN 0.858 nan 8.190 nan 0.000 0.443 35 I N 2.402 122.819 120.570 -0.255 0.000 2.689 35 I HA 0.863 5.034 4.170 0.001 0.000 0.299 35 I C -0.856 175.206 176.117 -0.093 0.000 1.059 35 I CA -0.943 60.157 61.300 -0.333 0.000 1.055 35 I CB 2.442 39.962 38.000 -0.799 0.000 1.243 35 I HN 0.531 nan 8.210 nan 0.000 0.425 36 M N 4.424 124.114 119.600 0.150 0.000 2.365 36 M HA 0.749 5.229 4.480 0.001 0.000 0.287 36 M C -1.138 175.462 176.300 0.499 0.000 1.154 36 M CA -0.431 55.043 55.300 0.290 0.000 0.941 36 M CB 2.372 35.059 32.600 0.146 0.000 1.704 36 M HN 0.852 nan 8.290 nan 0.000 0.479 37 A N 2.241 125.326 122.820 0.442 0.000 2.435 37 A HA 1.024 5.345 4.320 0.001 0.000 0.304 37 A C -1.177 176.470 177.584 0.105 0.000 1.064 37 A CA -0.650 51.545 52.037 0.263 0.000 0.727 37 A CB 1.996 21.087 19.000 0.151 0.000 1.284 37 A HN 0.820 nan 8.150 nan 0.000 0.415 38 R N 0.182 120.681 120.500 -0.002 0.000 2.739 38 R HA 0.594 4.935 4.340 0.001 0.000 0.271 38 R C -1.789 174.458 176.300 -0.088 0.000 1.010 38 R CA -0.411 55.635 56.100 -0.090 0.000 0.897 38 R CB 1.841 31.967 30.300 -0.290 0.000 1.236 38 R HN 0.942 nan 8.270 nan 0.000 0.466 39 D N 0.207 120.596 120.400 -0.019 0.000 2.477 39 D HA 0.354 4.995 4.640 0.001 0.000 0.234 39 D C 0.168 176.545 176.300 0.128 0.000 1.048 39 D CA -0.547 53.421 54.000 -0.054 0.000 0.959 39 D CB 1.556 42.282 40.800 -0.124 0.000 1.408 39 D HN 0.432 nan 8.370 nan 0.000 0.496 40 A N 0.766 123.621 122.820 0.060 0.000 2.024 40 A HA -0.140 4.180 4.320 0.001 0.000 0.220 40 A C 1.857 179.469 177.584 0.047 0.000 1.164 40 A CA 1.860 53.920 52.037 0.040 0.000 0.643 40 A CB -0.837 18.173 19.000 0.016 0.000 0.806 40 A HN 0.543 nan 8.150 nan 0.000 0.451 41 S N -1.515 114.244 115.700 0.098 0.000 2.507 41 S HA 0.236 4.707 4.470 0.001 0.000 0.235 41 S C 1.819 176.470 174.600 0.085 0.000 0.988 41 S CA 1.164 59.415 58.200 0.085 0.000 0.944 41 S CB -0.330 62.937 63.200 0.112 0.000 0.762 41 S HN 1.590 nan 8.310 nan 0.000 0.526 42 G N 2.633 111.515 108.800 0.137 0.000 2.507 42 G HA2 -0.490 3.471 3.960 0.001 0.000 0.240 42 G HA3 -0.490 3.471 3.960 0.001 0.000 0.240 42 G C 0.985 175.988 174.900 0.172 0.000 1.119 42 G CA 0.908 46.130 45.100 0.203 0.000 0.664 42 G HN 0.706 nan 8.290 nan 0.000 0.516 43 N N 0.829 119.604 118.700 0.127 0.000 2.120 43 N HA 0.113 4.854 4.740 0.001 0.000 0.188 43 N C 1.271 176.846 175.510 0.107 0.000 1.024 43 N CA 1.443 54.554 53.050 0.102 0.000 0.852 43 N CB -0.368 38.169 38.487 0.083 0.000 1.003 43 N HN 1.045 nan 8.380 nan 0.000 0.424 44 L N 1.133 122.438 121.223 0.137 0.000 2.513 44 L HA 0.258 4.598 4.340 0.001 0.000 0.272 44 L C -0.587 176.326 176.870 0.073 0.000 1.187 44 L CA 0.482 55.399 54.840 0.127 0.000 0.895 44 L CB -0.260 41.885 42.059 0.143 0.000 1.147 44 L HN 0.397 nan 8.230 nan 0.000 0.483 45 N N 4.607 123.359 118.700 0.086 0.000 2.722 45 N HA 0.070 4.810 4.740 0.001 0.000 0.242 45 N C -1.920 173.651 175.510 0.101 0.000 1.398 45 N CA -0.396 52.686 53.050 0.054 0.000 0.755 45 N CB 0.171 38.672 38.487 0.024 0.000 1.268 45 N HN 0.637 nan 8.380 nan 0.000 0.522 46 Y N 1.651 121.952 120.300 0.002 0.000 2.342 46 Y HA 0.577 5.128 4.550 0.001 0.000 0.334 46 Y C -0.394 175.516 175.900 0.016 0.000 1.067 46 Y CA -0.190 57.923 58.100 0.023 0.000 1.128 46 Y CB 1.511 40.008 38.460 0.061 0.000 1.200 46 Y HN 0.210 nan 8.280 nan 0.000 0.464 47 T N 7.404 121.656 114.554 -0.503 0.000 3.842 47 T HA 0.469 4.820 4.350 0.001 0.000 0.336 47 T C -1.985 172.388 174.700 -0.544 0.000 0.900 47 T CA -0.880 60.989 62.100 -0.386 0.000 1.022 47 T CB 0.021 68.774 68.868 -0.192 0.000 1.068 47 T HN 0.675 nan 8.240 nan 0.000 0.464 48 R N 3.277 123.413 120.500 -0.605 0.000 2.532 48 R HA 0.553 4.893 4.340 0.001 0.000 0.297 48 R C -0.834 174.991 176.300 -0.792 0.000 0.984 48 R CA -0.555 55.123 56.100 -0.704 0.000 0.884 48 R CB 0.989 30.827 30.300 -0.770 0.000 1.182 48 R HN 0.670 nan 8.270 nan 0.000 0.442 49 C N 3.058 121.908 119.300 -0.751 0.000 2.365 49 C HA 0.705 5.166 4.460 0.001 0.000 0.351 49 C C -0.429 174.087 174.990 -0.791 0.000 1.240 49 C CA -0.491 58.169 59.018 -0.598 0.000 2.062 49 C CB -0.374 27.172 27.740 -0.324 0.000 2.387 49 C HN 0.629 nan 8.230 nan 0.000 0.537 50 F N 1.510 121.416 119.950 -0.073 0.000 2.547 50 F HA 0.692 5.220 4.527 0.001 0.000 0.316 50 F C 0.733 176.546 175.800 0.021 0.000 1.121 50 F CA 0.544 58.541 58.000 -0.004 0.000 0.911 50 F CB 1.247 40.285 39.000 0.063 0.000 1.179 50 F HN 1.050 nan 8.300 nan 0.000 0.443 51 G N 1.265 110.191 108.800 0.211 0.000 2.642 51 G HA2 0.272 4.233 3.960 0.001 0.000 0.231 51 G HA3 0.272 4.233 3.960 0.001 0.000 0.231 51 G C -0.997 173.963 174.900 0.099 0.000 1.338 51 G CA -0.459 44.733 45.100 0.154 0.000 0.883 51 G HN 1.276 nan 8.290 nan 0.000 0.570 52 A N -0.471 122.408 122.820 0.098 0.000 2.320 52 A HA 0.787 5.108 4.320 0.001 0.000 0.334 52 A C 1.376 179.015 177.584 0.092 0.000 1.147 52 A CA 0.680 52.765 52.037 0.080 0.000 0.820 52 A CB 1.110 20.156 19.000 0.076 0.000 1.218 52 A HN 1.648 nan 8.150 nan 0.000 0.482 53 R N 0.297 120.845 120.500 0.081 0.000 2.240 53 R HA 0.061 4.402 4.340 0.001 0.000 0.203 53 R C 0.451 176.824 176.300 0.121 0.000 1.011 53 R CA 1.461 57.619 56.100 0.096 0.000 1.007 53 R CB -0.085 30.261 30.300 0.076 0.000 0.911 53 R HN 0.581 nan 8.270 nan 0.000 0.468 54 T N -1.060 113.564 114.554 0.118 0.000 2.804 54 T HA 0.339 4.690 4.350 0.001 0.000 0.290 54 T C 0.516 175.296 174.700 0.132 0.000 1.099 54 T CA -0.302 61.886 62.100 0.147 0.000 1.011 54 T CB 1.925 70.891 68.868 0.163 0.000 1.291 54 T HN -0.004 nan 8.240 nan 0.000 0.523 55 V N -0.344 119.665 119.914 0.159 0.000 3.621 55 V HA 0.532 4.653 4.120 0.001 0.000 0.263 55 V C 0.952 177.108 176.094 0.104 0.000 1.272 55 V CA 0.049 62.424 62.300 0.126 0.000 1.080 55 V CB -0.481 31.422 31.823 0.133 0.000 0.816 55 V HN 0.685 nan 8.190 nan 0.000 0.451 56 R N 2.293 122.862 120.500 0.114 0.000 2.267 56 R HA 0.345 4.686 4.340 0.001 0.000 0.319 56 R C -0.056 176.235 176.300 -0.014 0.000 1.067 56 R CA -0.467 55.630 56.100 -0.006 0.000 0.936 56 R CB 0.528 30.716 30.300 -0.186 0.000 1.006 56 R HN 0.485 nan 8.270 nan 0.000 0.452 57 R N 3.096 123.581 120.500 -0.025 0.000 2.491 57 R HA 0.007 4.348 4.340 0.001 0.000 0.283 57 R C 0.218 176.500 176.300 -0.030 0.000 1.072 57 R CA -0.460 55.632 56.100 -0.014 0.000 1.048 57 R CB 0.389 30.682 30.300 -0.011 0.000 0.983 57 R HN 0.729 nan 8.270 nan 0.000 0.450 58 D N 1.975 122.366 120.400 -0.015 0.000 2.314 58 D HA -0.080 4.561 4.640 0.001 0.000 0.252 58 D C 0.389 176.677 176.300 -0.019 0.000 1.295 58 D CA -0.185 53.805 54.000 -0.017 0.000 0.995 58 D CB 0.432 41.229 40.800 -0.005 0.000 1.125 58 D HN 0.442 nan 8.370 nan 0.000 0.537 59 E N -1.193 118.997 120.200 -0.016 0.000 2.265 59 E HA -0.138 4.213 4.350 0.001 0.000 0.196 59 E C 0.836 177.430 176.600 -0.011 0.000 0.996 59 E CA 1.280 57.671 56.400 -0.015 0.000 0.832 59 E CB -0.491 29.201 29.700 -0.012 0.000 0.756 59 E HN 0.490 nan 8.360 nan 0.000 0.491 60 N N 0.034 118.730 118.700 -0.007 0.000 2.230 60 N HA 0.097 4.837 4.740 0.001 0.000 0.202 60 N C -0.261 175.248 175.510 -0.002 0.000 1.119 60 N CA 0.005 53.052 53.050 -0.004 0.000 0.851 60 N CB 0.452 38.938 38.487 -0.002 0.000 0.990 60 N HN 0.000 nan 8.380 nan 0.000 0.497 61 N N 0.640 119.337 118.700 -0.004 0.000 2.782 61 N HA -0.193 4.547 4.740 0.001 0.000 0.251 61 N C -1.324 174.188 175.510 0.004 0.000 1.101 61 N CA 0.906 53.955 53.050 -0.002 0.000 0.764 61 N CB -0.803 37.684 38.487 -0.001 0.000 1.122 61 N HN 0.529 nan 8.380 nan 0.000 0.561 62 Q N -0.370 119.433 119.800 0.005 0.000 2.387 62 Q HA 0.661 5.002 4.340 0.001 0.000 0.273 62 Q C -0.837 175.171 176.000 0.013 0.000 1.089 62 Q CA -1.248 54.561 55.803 0.011 0.000 0.824 62 Q CB 1.549 30.294 28.738 0.010 0.000 1.367 62 Q HN 0.163 nan 8.270 nan 0.000 0.443 63 L N -0.796 120.440 121.223 0.021 0.000 2.280 63 L HA 0.557 4.898 4.340 0.001 0.000 0.287 63 L C -2.440 174.449 176.870 0.031 0.000 1.023 63 L CA -2.179 52.678 54.840 0.028 0.000 0.819 63 L CB 0.123 42.206 42.059 0.040 0.000 1.212 63 L HN 0.411 nan 8.230 nan 0.000 0.420 64 P HA 0.166 nan 4.420 nan 0.000 0.265 64 P C -2.617 174.701 177.300 0.030 0.000 1.193 64 P CA -0.675 62.440 63.100 0.024 0.000 0.765 64 P CB 0.004 31.717 31.700 0.022 0.000 0.823 65 P HA 0.156 nan 4.420 nan 0.000 0.282 65 P C -0.415 176.891 177.300 0.011 0.000 1.249 65 P CA -0.526 62.587 63.100 0.021 0.000 0.806 65 P CB 0.575 32.279 31.700 0.008 0.000 0.984 66 L N 0.626 121.859 121.223 0.016 0.000 2.439 66 L HA 0.612 4.953 4.340 0.001 0.000 0.261 66 L C 0.284 177.124 176.870 -0.050 0.000 1.153 66 L CA 0.063 54.900 54.840 -0.005 0.000 0.808 66 L CB -0.424 41.644 42.059 0.016 0.000 1.126 66 L HN 0.600 nan 8.230 nan 0.000 0.460 67 Q N 0.360 120.114 119.800 -0.077 0.000 2.738 67 Q HA 0.380 4.721 4.340 0.001 0.000 0.301 67 Q C 0.319 176.239 176.000 -0.132 0.000 0.901 67 Q CA -0.411 55.326 55.803 -0.110 0.000 0.756 67 Q CB 1.331 30.016 28.738 -0.088 0.000 1.463 67 Q HN 0.506 nan 8.270 nan 0.000 0.432 68 V N -2.339 117.489 119.914 -0.143 0.000 2.867 68 V HA -0.209 3.911 4.120 0.001 0.000 0.260 68 V C 1.019 177.035 176.094 -0.130 0.000 1.099 68 V CA 2.306 64.513 62.300 -0.155 0.000 1.122 68 V CB -1.315 30.428 31.823 -0.132 0.000 0.708 68 V HN 0.890 nan 8.190 nan 0.000 0.490 69 D N -0.636 119.707 120.400 -0.094 0.000 2.349 69 D HA 0.044 4.685 4.640 0.001 0.000 0.214 69 D C 0.650 176.918 176.300 -0.054 0.000 1.063 69 D CA 0.198 54.159 54.000 -0.065 0.000 0.847 69 D CB -0.510 40.263 40.800 -0.045 0.000 0.933 69 D HN 0.418 nan 8.370 nan 0.000 0.513 70 T N 2.572 117.085 114.554 -0.069 0.000 2.853 70 T HA 0.195 4.546 4.350 0.001 0.000 0.298 70 T C -2.442 172.252 174.700 -0.010 0.000 0.978 70 T CA -0.993 61.087 62.100 -0.034 0.000 1.152 70 T CB 1.091 69.941 68.868 -0.030 0.000 0.914 70 T HN 0.029 nan 8.240 nan 0.000 0.539 71 P HA 0.331 nan 4.420 nan 0.000 0.271 71 P C -0.840 176.612 177.300 0.254 0.000 1.226 71 P CA -0.409 62.771 63.100 0.133 0.000 0.765 71 P CB 0.197 31.952 31.700 0.091 0.000 0.835 72 C N 3.208 122.708 119.300 0.332 0.000 2.797 72 C HA 0.513 4.974 4.460 0.001 0.000 0.306 72 C C 0.207 175.281 174.990 0.140 0.000 1.207 72 C CA -1.060 58.161 59.018 0.339 0.000 1.507 72 C CB 1.644 29.593 27.740 0.349 0.000 2.028 72 C HN 0.595 nan 8.230 nan 0.000 0.475 73 R N 2.359 122.755 120.500 -0.173 0.000 2.296 73 R HA 0.338 4.678 4.340 0.001 0.000 0.323 73 R C 0.273 176.418 176.300 -0.258 0.000 1.067 73 R CA -0.320 55.357 56.100 -0.705 0.000 0.946 73 R CB 0.249 30.102 30.300 -0.745 0.000 0.991 73 R HN 0.826 nan 8.270 nan 0.000 0.448 74 L N 2.794 123.879 121.223 -0.230 0.000 2.141 74 L HA -0.122 4.218 4.340 0.001 0.000 0.209 74 L C 1.686 178.476 176.870 -0.133 0.000 1.094 74 L CA 1.209 55.961 54.840 -0.147 0.000 0.763 74 L CB -1.036 40.969 42.059 -0.089 0.000 0.908 74 L HN 1.091 nan 8.230 nan 0.000 0.437 75 A N 0.392 123.122 122.820 -0.149 0.000 5.479 75 A HA -0.374 3.946 4.320 0.001 0.000 0.301 75 A C 1.623 179.221 177.584 0.024 0.000 1.961 75 A CA 1.687 53.681 52.037 -0.073 0.000 0.716 75 A CB -1.870 17.087 19.000 -0.072 0.000 1.266 75 A HN 0.338 nan 8.150 nan 0.000 0.372 76 S N 0.465 116.192 115.700 0.044 0.000 2.537 76 S HA 0.207 4.677 4.470 0.001 0.000 0.240 76 S C 1.668 176.434 174.600 0.277 0.000 0.981 76 S CA 1.593 59.891 58.200 0.163 0.000 0.948 76 S CB -0.465 62.806 63.200 0.118 0.000 0.759 76 S HN 1.858 nan 8.310 nan 0.000 0.531 77 A N 1.174 124.103 122.820 0.183 0.000 2.238 77 A HA 0.117 4.437 4.320 0.001 0.000 0.208 77 A C 1.968 179.763 177.584 0.352 0.000 1.177 77 A CA 0.613 52.839 52.037 0.314 0.000 0.804 77 A CB -0.739 18.314 19.000 0.089 0.000 0.823 77 A HN 0.396 nan 8.150 nan 0.000 0.482 78 T N 0.383 115.091 114.554 0.256 0.000 2.915 78 T HA -0.090 4.260 4.350 0.001 0.000 0.269 78 T C 1.824 176.703 174.700 0.298 0.000 1.071 78 T CA 1.245 63.490 62.100 0.241 0.000 1.132 78 T CB -0.110 68.842 68.868 0.139 0.000 0.878 78 T HN 0.530 nan 8.240 nan 0.000 0.479 79 K N 0.957 121.568 120.400 0.352 0.000 2.074 79 K HA -0.110 4.211 4.320 0.001 0.000 0.209 79 K C 2.191 178.949 176.600 0.263 0.000 1.048 79 K CA 0.987 57.464 56.287 0.316 0.000 0.926 79 K CB -0.649 32.070 32.500 0.364 0.000 0.713 79 K HN 0.223 nan 8.250 nan 0.000 0.444 80 L N 2.032 123.438 121.223 0.305 0.000 2.013 80 L HA -0.214 4.127 4.340 0.001 0.000 0.212 80 L C 2.140 179.051 176.870 0.068 0.000 1.073 80 L CA 1.584 56.510 54.840 0.143 0.000 0.753 80 L CB -0.588 41.448 42.059 -0.038 0.000 0.890 80 L HN 0.137 nan 8.230 nan 0.000 0.432 81 L N -1.443 119.836 121.223 0.094 0.000 1.990 81 L HA -0.281 4.060 4.340 0.001 0.000 0.213 81 L C 2.362 179.311 176.870 0.132 0.000 1.072 81 L CA 2.130 57.021 54.840 0.084 0.000 0.755 81 L CB -1.642 40.493 42.059 0.127 0.000 0.889 81 L HN 0.316 nan 8.230 nan 0.000 0.432 82 T N -1.253 113.404 114.554 0.172 0.000 2.720 82 T HA -0.191 4.160 4.350 0.001 0.000 0.268 82 T C 1.904 176.667 174.700 0.106 0.000 1.037 82 T CA 1.956 64.151 62.100 0.158 0.000 1.144 82 T CB -0.423 68.550 68.868 0.175 0.000 0.864 82 T HN 0.335 nan 8.240 nan 0.000 0.444 83 T N 1.944 116.559 114.554 0.101 0.000 2.803 83 T HA 0.020 4.370 4.350 0.001 0.000 0.269 83 T C 1.930 176.665 174.700 0.059 0.000 1.052 83 T CA 0.795 62.940 62.100 0.074 0.000 1.136 83 T CB -0.417 68.500 68.868 0.083 0.000 0.864 83 T HN 0.342 nan 8.240 nan 0.000 0.467 84 I N 0.680 121.284 120.570 0.057 0.000 2.133 84 I HA -0.178 3.993 4.170 0.001 0.000 0.238 84 I C 2.448 178.619 176.117 0.090 0.000 1.074 84 I CA 1.445 62.778 61.300 0.055 0.000 1.342 84 I CB -0.336 37.684 38.000 0.034 0.000 1.053 84 I HN 0.240 nan 8.210 nan 0.000 0.404 85 M N 0.283 119.958 119.600 0.126 0.000 2.267 85 M HA -0.203 4.277 4.480 0.001 0.000 0.263 85 M C 2.364 178.694 176.300 0.050 0.000 1.063 85 M CA 1.814 57.217 55.300 0.172 0.000 1.090 85 M CB -0.488 32.217 32.600 0.175 0.000 1.392 85 M HN 0.341 nan 8.290 nan 0.000 0.422 86 A N 0.475 123.312 122.820 0.028 0.000 1.872 86 A HA -0.056 4.265 4.320 0.001 0.000 0.214 86 A C 2.053 179.649 177.584 0.020 0.000 1.187 86 A CA 1.158 53.196 52.037 0.002 0.000 0.614 86 A CB -0.775 18.230 19.000 0.008 0.000 0.826 86 A HN 0.456 nan 8.150 nan 0.000 0.442 87 L N -0.515 120.731 121.223 0.038 0.000 2.275 87 L HA -0.204 4.136 4.340 0.001 0.000 0.215 87 L C 2.763 179.665 176.870 0.053 0.000 1.119 87 L CA 0.939 55.803 54.840 0.041 0.000 0.790 87 L CB -0.519 41.566 42.059 0.043 0.000 0.919 87 L HN 0.503 nan 8.230 nan 0.000 0.443 88 Q N -0.724 119.124 119.800 0.081 0.000 2.046 88 Q HA -0.195 4.146 4.340 0.001 0.000 0.200 88 Q C 2.505 178.566 176.000 0.101 0.000 0.975 88 Q CA 1.837 57.707 55.803 0.110 0.000 0.836 88 Q CB -0.229 28.628 28.738 0.199 0.000 0.896 88 Q HN 0.589 nan 8.270 nan 0.000 0.428 89 C N 0.539 119.886 119.300 0.078 0.000 2.435 89 C HA -0.087 4.374 4.460 0.001 0.000 0.279 89 C C 2.633 177.640 174.990 0.028 0.000 1.321 89 C CA 0.326 59.370 59.018 0.042 0.000 1.752 89 C CB -0.805 26.924 27.740 -0.018 0.000 1.959 89 C HN 0.559 nan 8.230 nan 0.000 0.500 90 M N 1.231 120.844 119.600 0.023 0.000 2.086 90 M HA -0.149 4.332 4.480 0.001 0.000 0.261 90 M C 2.163 178.475 176.300 0.020 0.000 1.067 90 M CA 1.798 57.108 55.300 0.015 0.000 1.116 90 M CB -0.843 31.764 32.600 0.013 0.000 1.348 90 M HN 0.457 nan 8.290 nan 0.000 0.407 91 E N -0.098 120.119 120.200 0.029 0.000 2.033 91 E HA -0.237 4.114 4.350 0.001 0.000 0.199 91 E C 1.865 178.481 176.600 0.027 0.000 1.011 91 E CA 1.646 58.063 56.400 0.028 0.000 0.815 91 E CB -0.156 29.564 29.700 0.033 0.000 0.755 91 E HN 0.519 nan 8.360 nan 0.000 0.451 92 R N -0.874 119.648 120.500 0.037 0.000 2.357 92 R HA -0.038 4.303 4.340 0.001 0.000 0.202 92 R C 1.349 177.665 176.300 0.027 0.000 1.047 92 R CA 0.566 56.688 56.100 0.036 0.000 1.034 92 R CB 0.088 30.421 30.300 0.055 0.000 0.875 92 R HN 0.387 nan 8.270 nan 0.000 0.473 93 G N 0.167 108.979 108.800 0.020 0.000 2.194 93 G HA2 -0.280 3.680 3.960 0.001 0.000 0.236 93 G HA3 -0.280 3.680 3.960 0.001 0.000 0.236 93 G C 0.742 175.647 174.900 0.010 0.000 0.987 93 G CA 0.041 45.149 45.100 0.013 0.000 0.635 93 G HN 0.255 nan 8.290 nan 0.000 0.520 94 L N 0.180 121.411 121.223 0.013 0.000 2.201 94 L HA 0.254 4.595 4.340 0.001 0.000 0.212 94 L C 1.663 178.531 176.870 -0.003 0.000 1.105 94 L CA 1.651 56.495 54.840 0.007 0.000 0.775 94 L CB -0.375 41.691 42.059 0.010 0.000 0.913 94 L HN 0.636 nan 8.230 nan 0.000 0.440 95 V N -5.319 114.592 119.914 -0.004 0.000 3.112 95 V HA 0.694 4.815 4.120 0.001 0.000 0.310 95 V C -1.832 174.257 176.094 -0.010 0.000 1.364 95 V CA -1.022 61.271 62.300 -0.011 0.000 1.058 95 V CB 2.266 34.079 31.823 -0.016 0.000 1.079 95 V HN -0.083 nan 8.190 nan 0.000 0.463 96 D N -1.349 119.042 120.400 -0.016 0.000 2.927 96 D HA 0.490 5.130 4.640 0.001 0.000 0.219 96 D C 0.650 176.934 176.300 -0.026 0.000 1.248 96 D CA -0.552 53.438 54.000 -0.017 0.000 0.861 96 D CB 1.931 42.721 40.800 -0.017 0.000 1.677 96 D HN 0.604 nan 8.370 nan 0.000 0.511 97 L N 1.531 122.737 121.223 -0.027 0.000 2.089 97 L HA -0.127 4.214 4.340 0.001 0.000 0.213 97 L C 0.699 177.530 176.870 -0.065 0.000 1.079 97 L CA 1.293 56.108 54.840 -0.041 0.000 0.758 97 L CB -0.154 41.882 42.059 -0.038 0.000 0.891 97 L HN 0.502 nan 8.230 nan 0.000 0.433 98 D N -1.199 119.165 120.400 -0.060 0.000 2.369 98 D HA 0.008 4.648 4.640 0.001 0.000 0.211 98 D C 0.711 176.979 176.300 -0.053 0.000 1.077 98 D CA 0.048 54.004 54.000 -0.074 0.000 0.842 98 D CB 0.111 40.872 40.800 -0.066 0.000 0.947 98 D HN 0.349 nan 8.370 nan 0.000 0.509 99 E N 1.118 121.293 120.200 -0.042 0.000 2.413 99 E HA 0.017 4.368 4.350 0.001 0.000 0.263 99 E C -0.419 176.158 176.600 -0.039 0.000 1.015 99 E CA 0.108 56.486 56.400 -0.036 0.000 0.916 99 E CB 0.583 30.265 29.700 -0.031 0.000 0.947 99 E HN -0.167 nan 8.360 nan 0.000 0.440 100 T N 4.471 119.002 114.554 -0.038 0.000 2.784 100 T HA -0.047 4.304 4.350 0.001 0.000 0.291 100 T C 1.330 175.994 174.700 -0.060 0.000 0.942 100 T CA -0.262 61.811 62.100 -0.046 0.000 1.161 100 T CB 1.183 70.022 68.868 -0.048 0.000 0.885 100 T HN 0.529 nan 8.240 nan 0.000 0.534 101 V N 3.816 123.685 119.914 -0.075 0.000 2.311 101 V HA -0.327 3.793 4.120 0.001 0.000 0.256 101 V C 2.178 178.212 176.094 -0.099 0.000 1.077 101 V CA 2.816 65.058 62.300 -0.097 0.000 1.067 101 V CB -0.690 31.042 31.823 -0.152 0.000 0.659 101 V HN 1.063 nan 8.190 nan 0.000 0.451 102 D N -0.578 119.757 120.400 -0.109 0.000 2.315 102 D HA -0.268 4.373 4.640 0.001 0.000 0.211 102 D C 2.076 178.335 176.300 -0.068 0.000 0.977 102 D CA 1.587 55.526 54.000 -0.103 0.000 0.894 102 D CB -0.669 40.071 40.800 -0.100 0.000 0.910 102 D HN 0.583 nan 8.370 nan 0.000 0.490 103 R N 0.112 120.580 120.500 -0.054 0.000 2.082 103 R HA -0.100 4.240 4.340 0.001 0.000 0.234 103 R C 1.678 177.961 176.300 -0.029 0.000 1.136 103 R CA 1.095 57.173 56.100 -0.037 0.000 0.935 103 R CB -0.118 30.164 30.300 -0.031 0.000 0.842 103 R HN 0.189 nan 8.270 nan 0.000 0.430 104 L N 0.405 121.611 121.223 -0.029 0.000 2.307 104 L HA 0.126 4.467 4.340 0.001 0.000 0.211 104 L C 0.953 177.823 176.870 -0.000 0.000 1.099 104 L CA 0.879 55.712 54.840 -0.011 0.000 0.816 104 L CB -0.121 41.934 42.059 -0.008 0.000 0.952 104 L HN 0.235 nan 8.230 nan 0.000 0.455 105 L N 0.590 121.790 121.223 -0.038 0.000 2.637 105 L HA 0.212 4.553 4.340 0.001 0.000 0.241 105 L C -1.615 175.175 176.870 -0.135 0.000 1.398 105 L CA -1.006 53.797 54.840 -0.061 0.000 0.895 105 L CB 0.835 42.811 42.059 -0.138 0.000 1.183 105 L HN -0.088 nan 8.230 nan 0.000 0.497 106 P HA -0.156 nan 4.420 nan 0.000 0.216 106 P C 1.055 178.291 177.300 -0.107 0.000 1.153 106 P CA 1.214 64.262 63.100 -0.087 0.000 0.848 106 P CB 0.144 31.817 31.700 -0.046 0.000 0.787 107 D N -0.207 120.159 120.400 -0.057 0.000 2.182 107 D HA -0.181 4.460 4.640 0.001 0.000 0.201 107 D C 1.854 178.068 176.300 -0.142 0.000 0.986 107 D CA 0.969 54.954 54.000 -0.025 0.000 0.847 107 D CB -1.244 39.630 40.800 0.123 0.000 0.942 107 D HN 0.125 nan 8.370 nan 0.000 0.467 108 L N 0.226 121.190 121.223 -0.431 0.000 2.095 108 L HA 0.066 4.406 4.340 0.001 0.000 0.204 108 L C 2.256 178.842 176.870 -0.474 0.000 1.080 108 L CA 1.450 55.796 54.840 -0.824 0.000 0.759 108 L CB -0.878 40.221 42.059 -1.601 0.000 0.914 108 L HN 0.015 nan 8.230 nan 0.000 0.439 109 S N -0.930 114.560 115.700 -0.351 0.000 2.447 109 S HA -0.027 4.444 4.470 0.001 0.000 0.233 109 S C 2.032 176.517 174.600 -0.192 0.000 1.006 109 S CA 0.875 58.924 58.200 -0.250 0.000 0.957 109 S CB -0.302 62.784 63.200 -0.191 0.000 0.773 109 S HN 0.648 nan 8.310 nan 0.000 0.507 110 A N 1.588 124.305 122.820 -0.172 0.000 1.968 110 A HA 0.185 4.506 4.320 0.001 0.000 0.217 110 A C 1.017 178.518 177.584 -0.138 0.000 1.169 110 A CA 0.587 52.543 52.037 -0.134 0.000 0.638 110 A CB -0.367 18.568 19.000 -0.110 0.000 0.812 110 A HN 0.452 nan 8.150 nan 0.000 0.446 111 M N 1.096 120.604 119.600 -0.153 0.000 2.240 111 M HA 0.085 4.566 4.480 0.001 0.000 0.346 111 M C -2.103 174.108 176.300 -0.148 0.000 1.236 111 M CA -1.428 53.791 55.300 -0.136 0.000 0.986 111 M CB -0.783 31.733 32.600 -0.141 0.000 1.786 111 M HN 0.175 nan 8.290 nan 0.000 0.457 112 P HA 0.350 nan 4.420 nan 0.000 0.281 112 P C -0.868 176.329 177.300 -0.171 0.000 1.281 112 P CA -0.635 62.379 63.100 -0.144 0.000 0.811 112 P CB 1.175 32.799 31.700 -0.126 0.000 1.154 113 V N 1.507 121.318 119.914 -0.172 0.000 2.427 113 V HA 0.303 4.424 4.120 0.001 0.000 0.286 113 V C -0.171 175.801 176.094 -0.204 0.000 1.034 113 V CA -1.132 61.052 62.300 -0.192 0.000 0.893 113 V CB 0.690 32.410 31.823 -0.172 0.000 0.982 113 V HN 0.410 nan 8.190 nan 0.000 0.452 114 L N 5.626 126.698 121.223 -0.252 0.000 2.315 114 L HA 0.382 4.723 4.340 0.001 0.000 0.283 114 L C 1.140 177.889 176.870 -0.202 0.000 1.089 114 L CA 0.159 54.831 54.840 -0.280 0.000 0.833 114 L CB 0.996 42.809 42.059 -0.410 0.000 1.170 114 L HN 0.950 nan 8.230 nan 0.000 0.442 115 E N 3.585 123.678 120.200 -0.178 0.000 2.060 115 E HA 0.185 4.536 4.350 0.001 0.000 0.189 115 E C 0.609 177.160 176.600 -0.082 0.000 0.974 115 E CA 0.748 57.081 56.400 -0.113 0.000 0.808 115 E CB 0.353 29.997 29.700 -0.093 0.000 0.768 115 E HN 0.891 nan 8.360 nan 0.000 0.453 116 G N -1.192 107.522 108.800 -0.142 0.000 2.341 116 G HA2 0.361 4.322 3.960 0.001 0.000 0.299 116 G HA3 0.361 4.322 3.960 0.001 0.000 0.299 116 G C -1.636 173.125 174.900 -0.232 0.000 1.274 116 G CA -0.884 44.171 45.100 -0.074 0.000 0.853 116 G HN 0.064 nan 8.290 nan 0.000 0.493 117 F N 1.060 121.055 119.950 0.075 0.000 2.579 117 F HA 0.537 5.065 4.527 0.001 0.000 0.324 117 F C 0.466 176.301 175.800 0.058 0.000 1.058 117 F CA -0.442 57.608 58.000 0.084 0.000 0.944 117 F CB 2.239 41.297 39.000 0.098 0.000 1.245 117 F HN 0.661 nan 8.300 nan 0.000 0.477 118 D N -0.421 120.128 120.400 0.247 0.000 2.496 118 D HA 0.119 4.759 4.640 0.001 0.000 0.283 118 D C 0.131 176.511 176.300 0.133 0.000 1.214 118 D CA -0.151 53.936 54.000 0.146 0.000 1.089 118 D CB 0.280 41.140 40.800 0.099 0.000 1.141 118 D HN 0.423 nan 8.370 nan 0.000 0.580 119 D N -0.618 119.834 120.400 0.088 0.000 2.201 119 D HA 0.037 4.678 4.640 0.001 0.000 0.209 119 D C 1.819 178.155 176.300 0.059 0.000 0.961 119 D CA 1.189 55.228 54.000 0.065 0.000 0.861 119 D CB -0.505 40.323 40.800 0.046 0.000 0.997 119 D HN 0.509 nan 8.370 nan 0.000 0.486 120 A N 0.528 123.386 122.820 0.062 0.000 2.178 120 A HA 0.164 4.484 4.320 0.001 0.000 0.218 120 A C 1.950 179.582 177.584 0.079 0.000 1.157 120 A CA 1.845 53.918 52.037 0.059 0.000 0.689 120 A CB -0.593 18.441 19.000 0.057 0.000 0.787 120 A HN 0.360 nan 8.150 nan 0.000 0.465 121 G N -1.370 107.498 108.800 0.113 0.000 2.195 121 G HA2 -0.261 3.700 3.960 0.001 0.000 0.246 121 G HA3 -0.261 3.700 3.960 0.001 0.000 0.246 121 G C 0.119 175.193 174.900 0.290 0.000 0.984 121 G CA 0.083 45.271 45.100 0.146 0.000 0.633 121 G HN 0.523 nan 8.290 nan 0.000 0.525 122 N N 1.324 120.168 118.700 0.239 0.000 2.345 122 N HA 0.372 5.113 4.740 0.001 0.000 0.243 122 N C 0.811 176.513 175.510 0.319 0.000 1.246 122 N CA 0.900 54.104 53.050 0.258 0.000 0.863 122 N CB 0.575 39.139 38.487 0.129 0.000 1.096 122 N HN 0.933 nan 8.380 nan 0.000 0.446 123 A N 2.322 125.299 122.820 0.262 0.000 2.515 123 A HA 0.033 4.354 4.320 0.001 0.000 0.263 123 A C 0.783 178.315 177.584 -0.086 0.000 1.096 123 A CA -0.023 52.030 52.037 0.027 0.000 0.769 123 A CB -0.199 18.791 19.000 -0.017 0.000 1.040 123 A HN 0.679 nan 8.150 nan 0.000 0.505 124 R N 2.682 123.065 120.500 -0.195 0.000 2.265 124 R HA 0.609 4.950 4.340 0.001 0.000 0.319 124 R C -1.415 174.788 176.300 -0.162 0.000 1.006 124 R CA -0.402 55.621 56.100 -0.130 0.000 0.880 124 R CB 0.458 30.706 30.300 -0.086 0.000 1.077 124 R HN 0.562 nan 8.270 nan 0.000 0.454 125 L N 3.521 124.676 121.223 -0.115 0.000 2.388 125 L HA 0.616 4.957 4.340 0.001 0.000 0.264 125 L C -0.952 175.858 176.870 -0.100 0.000 0.998 125 L CA -0.587 54.181 54.840 -0.120 0.000 0.817 125 L CB 1.963 43.964 42.059 -0.097 0.000 1.338 125 L HN 0.782 nan 8.230 nan 0.000 0.414 126 R N 2.106 122.540 120.500 -0.110 0.000 2.668 126 R HA 0.479 4.820 4.340 0.001 0.000 0.272 126 R C -1.209 175.030 176.300 -0.103 0.000 1.019 126 R CA -0.637 55.406 56.100 -0.096 0.000 0.894 126 R CB 1.819 32.064 30.300 -0.091 0.000 1.228 126 R HN 0.754 nan 8.270 nan 0.000 0.460 127 E N 3.653 123.799 120.200 -0.091 0.000 2.374 127 E HA 0.129 4.480 4.350 0.001 0.000 0.260 127 E C -0.859 175.680 176.600 -0.101 0.000 1.101 127 E CA -0.714 55.628 56.400 -0.096 0.000 0.907 127 E CB 1.116 30.766 29.700 -0.083 0.000 1.014 127 E HN 0.460 nan 8.360 nan 0.000 0.427 128 R N 2.243 122.676 120.500 -0.112 0.000 2.267 128 R HA 0.125 4.466 4.340 0.001 0.000 0.319 128 R C -0.313 175.924 176.300 -0.104 0.000 1.067 128 R CA -0.301 55.726 56.100 -0.122 0.000 0.936 128 R CB 0.518 30.732 30.300 -0.143 0.000 1.006 128 R HN 0.525 nan 8.270 nan 0.000 0.452 129 R N 2.636 123.077 120.500 -0.098 0.000 2.347 129 R HA 0.267 4.608 4.340 0.001 0.000 0.304 129 R C 0.175 176.419 176.300 -0.092 0.000 1.072 129 R CA 0.863 56.914 56.100 -0.082 0.000 0.980 129 R CB 1.209 31.466 30.300 -0.070 0.000 0.986 129 R HN 1.001 nan 8.270 nan 0.000 0.448 130 G N 1.902 110.656 108.800 -0.078 0.000 2.710 130 G HA2 -0.160 3.801 3.960 0.001 0.000 0.668 130 G HA3 -0.160 3.801 3.960 0.001 0.000 0.668 130 G C -1.182 173.665 174.900 -0.088 0.000 1.320 130 G CA -0.832 44.222 45.100 -0.078 0.000 0.860 130 G HN 0.392 nan 8.290 nan 0.000 0.538 131 K N -1.067 119.290 120.400 -0.073 0.000 2.466 131 K HA 0.786 5.107 4.320 0.001 0.000 0.260 131 K C -0.763 175.806 176.600 -0.051 0.000 1.011 131 K CA -0.833 55.409 56.287 -0.074 0.000 0.871 131 K CB 2.348 34.818 32.500 -0.051 0.000 1.404 131 K HN 0.988 nan 8.250 nan 0.000 0.450 132 I N 1.020 121.559 120.570 -0.052 0.000 2.499 132 I HA 0.380 4.551 4.170 0.001 0.000 0.288 132 I C -0.611 175.530 176.117 0.039 0.000 1.048 132 I CA -0.195 61.089 61.300 -0.028 0.000 1.062 132 I CB 1.794 39.691 38.000 -0.171 0.000 1.238 132 I HN 0.714 nan 8.210 nan 0.000 0.426 133 T N 4.468 119.142 114.554 0.200 0.000 2.926 133 T HA 0.300 4.651 4.350 0.001 0.000 0.289 133 T C 0.877 175.567 174.700 -0.016 0.000 1.054 133 T CA -0.862 61.253 62.100 0.026 0.000 1.015 133 T CB 1.680 70.505 68.868 -0.072 0.000 1.167 133 T HN 0.573 nan 8.240 nan 0.000 0.526 134 L N 0.477 121.670 121.223 -0.050 0.000 2.083 134 L HA -0.025 4.316 4.340 0.001 0.000 0.209 134 L C 2.610 179.450 176.870 -0.050 0.000 1.083 134 L CA 1.762 56.575 54.840 -0.044 0.000 0.752 134 L CB -0.784 41.253 42.059 -0.036 0.000 0.899 134 L HN 0.898 nan 8.230 nan 0.000 0.433 135 R N -0.925 119.521 120.500 -0.089 0.000 2.091 135 R HA -0.225 4.115 4.340 0.001 0.000 0.238 135 R C 2.153 178.399 176.300 -0.089 0.000 1.136 135 R CA 1.931 57.968 56.100 -0.104 0.000 0.959 135 R CB -0.369 29.827 30.300 -0.172 0.000 0.856 135 R HN 0.536 nan 8.270 nan 0.000 0.437 136 H N -0.038 118.995 119.070 -0.061 0.000 2.353 136 H HA -0.112 4.445 4.556 0.001 0.000 0.300 136 H C 2.161 177.404 175.328 -0.142 0.000 1.090 136 H CA 1.736 57.730 56.048 -0.091 0.000 1.327 136 H CB 0.042 29.737 29.762 -0.110 0.000 1.383 136 H HN 0.151 nan 8.280 nan 0.000 0.508 137 L N 0.253 121.463 121.223 -0.021 0.000 1.994 137 L HA -0.207 4.134 4.340 0.001 0.000 0.208 137 L C 2.230 178.974 176.870 -0.211 0.000 1.071 137 L CA 1.143 55.906 54.840 -0.128 0.000 0.745 137 L CB -0.522 41.489 42.059 -0.080 0.000 0.892 137 L HN 0.354 nan 8.230 nan 0.000 0.431 138 L N -0.269 120.889 121.223 -0.108 0.000 2.265 138 L HA -0.141 4.200 4.340 0.001 0.000 0.215 138 L C 2.183 179.051 176.870 -0.003 0.000 1.117 138 L CA 1.597 56.398 54.840 -0.064 0.000 0.782 138 L CB -0.822 41.249 42.059 0.021 0.000 0.914 138 L HN 0.490 nan 8.230 nan 0.000 0.441 139 T N -5.837 108.704 114.554 -0.023 0.000 3.105 139 T HA 0.068 4.419 4.350 0.001 0.000 0.253 139 T C 0.632 175.257 174.700 -0.126 0.000 1.047 139 T CA -0.392 61.749 62.100 0.069 0.000 0.944 139 T CB -0.114 68.851 68.868 0.162 0.000 1.016 139 T HN 0.300 nan 8.240 nan 0.000 0.544 140 H N 0.507 119.399 119.070 -0.296 0.000 2.791 140 H HA -0.117 4.439 4.556 0.001 0.000 0.302 140 H C -0.095 174.906 175.328 -0.545 0.000 1.198 140 H CA 1.236 56.950 56.048 -0.556 0.000 1.145 140 H CB -2.270 26.904 29.762 -0.979 0.000 1.385 140 H HN 0.476 nan 8.280 nan 0.000 0.409 141 T N -1.212 113.231 114.554 -0.186 0.000 3.182 141 T HA 0.053 4.404 4.350 0.001 0.000 0.277 141 T C 1.602 176.190 174.700 -0.185 0.000 1.013 141 T CA 0.518 62.556 62.100 -0.103 0.000 0.900 141 T CB 0.256 69.187 68.868 0.105 0.000 1.098 141 T HN 0.517 nan 8.240 nan 0.000 0.543 142 S N 1.013 116.579 115.700 -0.225 0.000 2.507 142 S HA 0.201 4.672 4.470 0.001 0.000 0.235 142 S C 2.095 176.509 174.600 -0.310 0.000 0.988 142 S CA 0.572 58.608 58.200 -0.273 0.000 0.944 142 S CB -0.535 62.520 63.200 -0.243 0.000 0.762 142 S HN 0.752 nan 8.310 nan 0.000 0.526 143 G N 0.418 109.044 108.800 -0.289 0.000 2.143 143 G HA2 -0.218 3.743 3.960 0.001 0.000 0.249 143 G HA3 -0.218 3.743 3.960 0.001 0.000 0.249 143 G C -0.200 174.532 174.900 -0.280 0.000 0.981 143 G CA 0.416 45.353 45.100 -0.272 0.000 0.665 143 G HN 1.130 nan 8.290 nan 0.000 0.528 144 L N -1.184 119.867 121.223 -0.287 0.000 2.319 144 L HA 1.015 5.356 4.340 0.001 0.000 0.267 144 L C -0.095 176.587 176.870 -0.313 0.000 1.011 144 L CA -0.391 54.281 54.840 -0.280 0.000 0.818 144 L CB 2.117 44.034 42.059 -0.237 0.000 1.316 144 L HN 0.487 nan 8.230 nan 0.000 0.432 145 S N 0.183 115.705 115.700 -0.296 0.000 2.704 145 S HA 0.699 5.170 4.470 0.001 0.000 0.296 145 S C -1.267 173.171 174.600 -0.269 0.000 1.138 145 S CA -0.480 57.557 58.200 -0.271 0.000 0.875 145 S CB 0.755 63.844 63.200 -0.186 0.000 1.151 145 S HN 0.523 nan 8.310 nan 0.000 0.500 146 Y N 1.160 121.396 120.300 -0.106 0.000 2.301 146 Y HA 0.291 4.842 4.550 0.001 0.000 0.325 146 Y C 1.592 177.461 175.900 -0.052 0.000 1.203 146 Y CA -0.275 57.767 58.100 -0.097 0.000 1.255 146 Y CB 0.846 39.261 38.460 -0.075 0.000 1.232 146 Y HN 0.407 nan 8.280 nan 0.000 0.501 147 V N 1.876 121.811 119.914 0.034 0.000 2.255 147 V HA -0.312 3.809 4.120 0.001 0.000 0.247 147 V C 1.328 177.457 176.094 0.058 0.000 1.051 147 V CA 1.809 64.053 62.300 -0.094 0.000 1.018 147 V CB -0.575 30.979 31.823 -0.448 0.000 0.641 147 V HN 0.637 nan 8.190 nan 0.000 0.445 148 F N -0.308 119.732 119.950 0.149 0.000 2.693 148 F HA 0.289 4.816 4.527 0.001 0.000 0.303 148 F C 1.476 177.361 175.800 0.143 0.000 1.143 148 F CA 0.045 58.119 58.000 0.122 0.000 1.389 148 F CB -0.790 38.260 39.000 0.084 0.000 1.060 148 F HN 0.077 nan 8.300 nan 0.000 0.535 149 L N -1.929 119.499 121.223 0.340 0.000 2.537 149 L HA 0.163 4.503 4.340 0.001 0.000 0.224 149 L C 0.169 177.215 176.870 0.294 0.000 1.065 149 L CA 0.124 55.153 54.840 0.314 0.000 0.860 149 L CB 0.010 42.275 42.059 0.342 0.000 1.086 149 L HN -0.030 nan 8.230 nan 0.000 0.482 150 H N 0.681 119.855 119.070 0.173 0.000 2.457 150 H HA 0.251 4.807 4.556 0.001 0.000 0.335 150 H C -1.945 173.471 175.328 0.147 0.000 1.115 150 H CA -1.848 54.278 56.048 0.130 0.000 1.219 150 H CB 2.011 31.817 29.762 0.074 0.000 1.471 150 H HN -0.254 nan 8.280 nan 0.000 0.491 151 P HA -0.124 nan 4.420 nan 0.000 0.220 151 P C 1.143 178.492 177.300 0.082 0.000 1.148 151 P CA 1.055 64.108 63.100 -0.078 0.000 0.803 151 P CB 0.419 32.023 31.700 -0.161 0.000 0.782 152 L N -1.440 119.892 121.223 0.181 0.000 2.023 152 L HA -0.102 4.239 4.340 0.001 0.000 0.205 152 L C 2.504 179.657 176.870 0.472 0.000 1.073 152 L CA 1.215 56.312 54.840 0.429 0.000 0.745 152 L CB -1.126 41.182 42.059 0.415 0.000 0.900 152 L HN -0.095 nan 8.230 nan 0.000 0.435 153 L N -0.622 120.819 121.223 0.364 0.000 2.079 153 L HA -0.214 4.127 4.340 0.001 0.000 0.210 153 L C 2.977 180.048 176.870 0.336 0.000 1.081 153 L CA 0.838 55.861 54.840 0.305 0.000 0.752 153 L CB -0.621 41.548 42.059 0.185 0.000 0.896 153 L HN 0.290 nan 8.230 nan 0.000 0.433 154 R N 0.239 120.916 120.500 0.295 0.000 2.112 154 R HA -0.257 4.084 4.340 0.001 0.000 0.242 154 R C 2.079 178.497 176.300 0.197 0.000 1.137 154 R CA 1.881 58.143 56.100 0.270 0.000 0.944 154 R CB -0.744 29.664 30.300 0.179 0.000 0.857 154 R HN 0.491 nan 8.270 nan 0.000 0.435 155 E N -0.834 119.446 120.200 0.133 0.000 2.112 155 E HA -0.153 4.198 4.350 0.001 0.000 0.190 155 E C 1.844 178.488 176.600 0.073 0.000 0.979 155 E CA 0.316 56.674 56.400 -0.069 0.000 0.814 155 E CB -0.142 29.267 29.700 -0.486 0.000 0.762 155 E HN 0.257 nan 8.360 nan 0.000 0.460 156 Y N 0.684 121.207 120.300 0.372 0.000 2.102 156 Y HA -0.332 4.219 4.550 0.001 0.000 0.280 156 Y C 2.293 178.285 175.900 0.153 0.000 1.178 156 Y CA 2.020 60.393 58.100 0.456 0.000 1.146 156 Y CB -0.133 38.574 38.460 0.410 0.000 0.968 156 Y HN 0.136 nan 8.280 nan 0.000 0.504 157 M N -0.473 119.284 119.600 0.262 0.000 2.117 157 M HA -0.186 4.295 4.480 0.001 0.000 0.262 157 M C 2.361 178.689 176.300 0.046 0.000 1.065 157 M CA 1.915 57.306 55.300 0.150 0.000 1.114 157 M CB -1.133 31.615 32.600 0.248 0.000 1.361 157 M HN 0.399 nan 8.290 nan 0.000 0.408 158 A N 0.377 123.215 122.820 0.031 0.000 1.892 158 A HA -0.233 4.088 4.320 0.001 0.000 0.218 158 A C 1.863 179.367 177.584 -0.133 0.000 1.188 158 A CA 1.691 53.700 52.037 -0.046 0.000 0.631 158 A CB -0.726 18.229 19.000 -0.075 0.000 0.822 158 A HN 0.633 nan 8.150 nan 0.000 0.447 159 Q N -1.607 118.045 119.800 -0.247 0.000 2.167 159 Q HA 0.082 4.423 4.340 0.001 0.000 0.202 159 Q C 1.320 177.064 176.000 -0.427 0.000 0.970 159 Q CA 1.122 56.678 55.803 -0.411 0.000 0.855 159 Q CB -0.657 27.607 28.738 -0.790 0.000 0.911 159 Q HN 1.293 nan 8.270 nan 0.000 0.438 160 G N 0.949 109.521 108.800 -0.380 0.000 2.270 160 G HA2 -0.189 3.772 3.960 0.001 0.000 0.224 160 G HA3 -0.189 3.772 3.960 0.001 0.000 0.224 160 G C 0.119 174.907 174.900 -0.187 0.000 1.079 160 G CA 0.126 45.104 45.100 -0.204 0.000 0.807 160 G HN 0.329 nan 8.290 nan 0.000 0.492 161 H N -0.420 118.490 119.070 -0.266 0.000 2.548 161 H HA 0.232 4.788 4.556 0.001 0.000 0.268 161 H C 2.539 177.780 175.328 -0.145 0.000 0.975 161 H CA 0.733 56.558 56.048 -0.371 0.000 1.195 161 H CB 0.189 29.319 29.762 -1.053 0.000 1.397 161 H HN 0.523 nan 8.280 nan 0.000 0.572 162 L N 0.069 121.320 121.223 0.048 0.000 2.509 162 L HA -0.034 4.306 4.340 0.001 0.000 0.222 162 L C 2.032 178.958 176.870 0.093 0.000 1.123 162 L CA 0.323 55.238 54.840 0.125 0.000 0.856 162 L CB -0.092 42.040 42.059 0.122 0.000 0.985 162 L HN 0.163 nan 8.230 nan 0.000 0.456 163 Q N -0.100 119.739 119.800 0.065 0.000 2.135 163 Q HA -0.165 4.176 4.340 0.001 0.000 0.204 163 Q C 2.253 178.294 176.000 0.068 0.000 0.981 163 Q CA 1.740 57.575 55.803 0.054 0.000 0.856 163 Q CB -0.160 28.599 28.738 0.035 0.000 0.902 163 Q HN 0.384 nan 8.270 nan 0.000 0.425 164 S N 0.733 116.492 115.700 0.100 0.000 2.474 164 S HA -0.062 4.409 4.470 0.001 0.000 0.235 164 S C 1.985 176.687 174.600 0.170 0.000 0.997 164 S CA 0.585 58.858 58.200 0.121 0.000 0.949 164 S CB -0.173 63.139 63.200 0.186 0.000 0.766 164 S HN 0.476 nan 8.310 nan 0.000 0.517 165 A N 2.118 125.050 122.820 0.186 0.000 1.948 165 A HA -0.250 4.071 4.320 0.001 0.000 0.220 165 A C 1.936 179.610 177.584 0.150 0.000 1.177 165 A CA 1.782 53.951 52.037 0.221 0.000 0.636 165 A CB -0.658 18.429 19.000 0.146 0.000 0.815 165 A HN 0.580 nan 8.150 nan 0.000 0.449 166 E N -0.093 120.146 120.200 0.065 0.000 2.136 166 E HA -0.283 4.068 4.350 0.001 0.000 0.202 166 E C 1.980 178.547 176.600 -0.056 0.000 1.019 166 E CA 1.870 58.277 56.400 0.013 0.000 0.819 166 E CB -0.262 29.436 29.700 -0.002 0.000 0.739 166 E HN 0.679 nan 8.360 nan 0.000 0.458 167 K N -0.145 120.144 120.400 -0.184 0.000 2.147 167 K HA -0.120 4.201 4.320 0.001 0.000 0.205 167 K C 1.219 177.493 176.600 -0.543 0.000 1.049 167 K CA 1.101 57.113 56.287 -0.458 0.000 0.936 167 K CB -0.051 31.971 32.500 -0.796 0.000 0.722 167 K HN 0.140 nan 8.250 nan 0.000 0.446 168 F N -0.158 119.808 119.950 0.027 0.000 2.639 168 F HA 0.287 4.815 4.527 0.001 0.000 0.302 168 F C 1.100 176.918 175.800 0.030 0.000 1.097 168 F CA -0.255 57.762 58.000 0.028 0.000 1.294 168 F CB 0.461 39.480 39.000 0.032 0.000 1.027 168 F HN 0.058 nan 8.300 nan 0.000 0.550 169 G N 1.679 110.551 108.800 0.119 0.000 2.283 169 G HA2 -0.318 3.643 3.960 0.001 0.000 0.280 169 G HA3 -0.318 3.643 3.960 0.001 0.000 0.280 169 G C 0.190 175.158 174.900 0.113 0.000 1.029 169 G CA -0.044 45.111 45.100 0.092 0.000 0.840 169 G HN 0.399 nan 8.290 nan 0.000 0.505 170 I N 0.704 121.360 120.570 0.143 0.000 2.371 170 I HA 0.155 4.326 4.170 0.001 0.000 0.290 170 I C 0.792 176.957 176.117 0.081 0.000 1.028 170 I CA -0.785 60.587 61.300 0.120 0.000 1.345 170 I CB 0.947 39.035 38.000 0.147 0.000 1.407 170 I HN 0.118 nan 8.210 nan 0.000 0.501 171 Q N 3.894 123.729 119.800 0.057 0.000 2.315 171 Q HA -0.034 4.306 4.340 0.001 0.000 0.289 171 Q C 1.375 177.358 176.000 -0.029 0.000 1.044 171 Q CA 0.182 56.023 55.803 0.064 0.000 0.920 171 Q CB 0.891 29.722 28.738 0.155 0.000 1.214 171 Q HN 0.833 nan 8.270 nan 0.000 0.392 172 S N 3.279 118.975 115.700 -0.007 0.000 2.372 172 S HA -0.265 4.206 4.470 0.001 0.000 0.227 172 S C 1.652 176.171 174.600 -0.135 0.000 1.044 172 S CA 1.813 59.990 58.200 -0.039 0.000 1.050 172 S CB 0.030 63.226 63.200 -0.007 0.000 0.901 172 S HN 0.668 nan 8.310 nan 0.000 0.447 173 R N -0.592 119.734 120.500 -0.290 0.000 2.189 173 R HA 0.104 4.445 4.340 0.001 0.000 0.218 173 R C 1.521 177.562 176.300 -0.431 0.000 1.074 173 R CA 0.938 56.797 56.100 -0.402 0.000 0.991 173 R CB -0.171 29.730 30.300 -0.665 0.000 0.883 173 R HN 0.394 nan 8.270 nan 0.000 0.457 174 L N -0.454 120.493 121.223 -0.460 0.000 2.558 174 L HA 0.179 4.520 4.340 0.001 0.000 0.225 174 L C 1.961 178.789 176.870 -0.071 0.000 1.128 174 L CA 0.768 55.354 54.840 -0.423 0.000 0.868 174 L CB -0.001 41.659 42.059 -0.665 0.000 1.006 174 L HN 0.116 nan 8.230 nan 0.000 0.454 175 A N 0.119 122.906 122.820 -0.054 0.000 1.898 175 A HA 0.027 4.348 4.320 0.001 0.000 0.216 175 A C -1.141 176.480 177.584 0.062 0.000 1.181 175 A CA 0.620 52.681 52.037 0.040 0.000 0.620 175 A CB -1.782 17.249 19.000 0.051 0.000 0.819 175 A HN 0.253 nan 8.150 nan 0.000 0.442 176 P HA 0.283 nan 4.420 nan 0.000 0.269 176 P C -2.705 174.559 177.300 -0.059 0.000 1.209 176 P CA -1.003 62.100 63.100 0.005 0.000 0.776 176 P CB -0.010 31.668 31.700 -0.037 0.000 0.876 177 P HA 0.190 nan 4.420 nan 0.000 0.274 177 P C -0.299 176.863 177.300 -0.231 0.000 1.246 177 P CA -0.284 62.679 63.100 -0.229 0.000 0.795 177 P CB 0.340 31.797 31.700 -0.406 0.000 1.006 178 A N 0.961 123.648 122.820 -0.222 0.000 2.366 178 A HA 0.317 4.637 4.320 0.001 0.000 0.249 178 A C 0.922 178.351 177.584 -0.258 0.000 1.084 178 A CA 0.113 52.009 52.037 -0.236 0.000 0.794 178 A CB -0.278 18.584 19.000 -0.230 0.000 1.034 178 A HN 0.496 nan 8.150 nan 0.000 0.491 179 V N -1.499 118.244 119.914 -0.285 0.000 3.380 179 V HA 0.393 4.514 4.120 0.001 0.000 0.307 179 V C 0.107 176.043 176.094 -0.263 0.000 1.434 179 V CA 0.341 62.456 62.300 -0.309 0.000 1.075 179 V CB -1.107 30.398 31.823 -0.530 0.000 0.954 179 V HN 0.811 nan 8.190 nan 0.000 0.444 180 N N -0.314 118.247 118.700 -0.233 0.000 3.261 180 N HA 0.248 4.989 4.740 0.001 0.000 0.248 180 N C -1.959 173.437 175.510 -0.189 0.000 1.498 180 N CA -0.316 52.621 53.050 -0.187 0.000 0.884 180 N CB 2.011 40.388 38.487 -0.183 0.000 1.428 180 N HN 0.181 nan 8.380 nan 0.000 0.517 181 D N 0.699 121.000 120.400 -0.166 0.000 2.329 181 D HA 0.380 5.021 4.640 0.001 0.000 0.246 181 D C -2.173 173.988 176.300 -0.232 0.000 1.111 181 D CA -0.801 53.091 54.000 -0.180 0.000 0.941 181 D CB 0.469 41.186 40.800 -0.139 0.000 1.169 181 D HN 0.247 nan 8.370 nan 0.000 0.441 182 P HA 0.112 nan 4.420 nan 0.000 0.269 182 P C 0.831 177.875 177.300 -0.427 0.000 1.209 182 P CA 0.415 63.209 63.100 -0.511 0.000 0.776 182 P CB 0.552 31.843 31.700 -0.681 0.000 0.876 183 G N 1.437 110.000 108.800 -0.395 0.000 2.184 183 G HA2 -0.322 3.639 3.960 0.001 0.000 0.264 183 G HA3 -0.322 3.639 3.960 0.001 0.000 0.264 183 G C 1.020 175.897 174.900 -0.037 0.000 0.975 183 G CA 0.541 45.600 45.100 -0.068 0.000 0.642 183 G HN 0.689 nan 8.290 nan 0.000 0.536 184 A N -0.400 122.368 122.820 -0.088 0.000 1.850 184 A HA 0.554 4.874 4.320 0.001 0.000 0.212 184 A C 1.041 178.611 177.584 -0.024 0.000 1.208 184 A CA 1.731 53.734 52.037 -0.056 0.000 0.609 184 A CB 0.105 19.053 19.000 -0.085 0.000 0.860 184 A HN 0.579 nan 8.150 nan 0.000 0.448 185 E N -2.913 117.261 120.200 -0.044 0.000 2.359 185 E HA 0.351 4.701 4.350 0.001 0.000 0.266 185 E C -1.711 174.904 176.600 0.026 0.000 0.920 185 E CA -0.901 55.500 56.400 0.001 0.000 0.788 185 E CB 1.498 31.174 29.700 -0.040 0.000 1.279 185 E HN 0.438 nan 8.360 nan 0.000 0.438 186 W N 2.895 124.146 121.300 -0.080 0.000 2.322 186 W HA 0.445 5.106 4.660 0.002 0.000 0.307 186 W C -1.066 175.380 176.519 -0.121 0.000 1.220 186 W CA -0.041 57.243 57.345 -0.101 0.000 1.210 186 W CB 0.345 29.748 29.460 -0.095 0.000 1.223 186 W HN 0.326 nan 8.180 nan 0.000 0.511 187 I N 8.074 128.162 120.570 -0.803 0.000 2.563 187 I HA 0.019 4.189 4.170 0.001 0.000 0.285 187 I C -1.067 174.534 176.117 -0.861 0.000 1.123 187 I CA -1.230 59.681 61.300 -0.648 0.000 1.059 187 I CB 1.123 38.898 38.000 -0.374 0.000 1.229 187 I HN 0.222 nan 8.210 nan 0.000 0.442 188 Y N 5.815 125.518 120.300 -0.995 0.000 2.677 188 Y HA 0.462 5.012 4.550 0.001 0.000 0.335 188 Y C 0.535 176.331 175.900 -0.173 0.000 1.162 188 Y CA 0.374 58.086 58.100 -0.647 0.000 1.483 188 Y CB 0.343 38.739 38.460 -0.108 0.000 1.209 188 Y HN 0.622 nan 8.280 nan 0.000 0.528 189 G N 2.843 111.314 108.800 -0.547 0.000 2.727 189 G HA2 0.496 4.456 3.960 0.001 0.000 0.289 189 G HA3 0.496 4.456 3.960 0.001 0.000 0.289 189 G C -0.435 173.624 174.900 -1.401 0.000 1.418 189 G CA -0.448 44.073 45.100 -0.964 0.000 0.818 189 G HN 0.756 nan 8.290 nan 0.000 0.486 190 A N -0.290 121.701 122.820 -1.381 0.000 2.258 190 A HA 0.063 4.383 4.320 0.001 0.000 0.206 190 A C 1.499 178.873 177.584 -0.350 0.000 1.222 190 A CA 0.921 52.447 52.037 -0.853 0.000 0.822 190 A CB -1.008 17.656 19.000 -0.560 0.000 0.804 190 A HN 0.693 nan 8.150 nan 0.000 0.483 191 N N -0.441 118.077 118.700 -0.302 0.000 2.567 191 N HA -0.018 4.723 4.740 0.001 0.000 0.195 191 N C 0.695 176.138 175.510 -0.112 0.000 1.242 191 N CA -0.061 52.915 53.050 -0.122 0.000 0.884 191 N CB 0.111 38.468 38.487 -0.217 0.000 1.007 191 N HN 0.297 nan 8.380 nan 0.000 0.450 192 L N 0.625 121.786 121.223 -0.104 0.000 2.638 192 L HA 0.159 4.500 4.340 0.001 0.000 0.232 192 L C 0.500 177.391 176.870 0.035 0.000 1.099 192 L CA 0.892 55.721 54.840 -0.018 0.000 0.883 192 L CB 0.052 42.136 42.059 0.041 0.000 1.136 192 L HN -0.003 nan 8.230 nan 0.000 0.492 193 D N -1.682 118.697 120.400 -0.034 0.000 2.213 193 D HA -0.162 4.478 4.640 0.001 0.000 0.205 193 D C 1.825 178.079 176.300 -0.075 0.000 0.961 193 D CA 0.958 54.920 54.000 -0.065 0.000 0.853 193 D CB -0.003 40.613 40.800 -0.308 0.000 0.967 193 D HN 0.202 nan 8.370 nan 0.000 0.496 194 W N 1.840 123.105 121.300 -0.058 0.000 2.355 194 W HA -0.081 4.579 4.660 0.001 0.000 0.309 194 W C 2.612 179.105 176.519 -0.043 0.000 1.206 194 W CA 0.966 58.278 57.345 -0.056 0.000 1.284 194 W CB -0.312 29.087 29.460 -0.102 0.000 1.145 194 W HN -0.068 nan 8.180 nan 0.000 0.502 195 A N 0.861 123.785 122.820 0.174 0.000 1.903 195 A HA -0.211 4.110 4.320 0.001 0.000 0.219 195 A C 2.199 179.821 177.584 0.063 0.000 1.191 195 A CA 2.417 54.504 52.037 0.083 0.000 0.638 195 A CB -1.663 17.364 19.000 0.045 0.000 0.823 195 A HN 0.357 nan 8.150 nan 0.000 0.451 196 G N -0.410 108.432 108.800 0.070 0.000 2.476 196 G HA2 -0.277 3.684 3.960 0.001 0.000 0.218 196 G HA3 -0.277 3.684 3.960 0.001 0.000 0.218 196 G C 1.658 176.564 174.900 0.010 0.000 1.164 196 G CA 1.284 46.410 45.100 0.042 0.000 0.768 196 G HN 0.426 nan 8.290 nan 0.000 0.560 197 K N 0.203 120.636 120.400 0.054 0.000 2.009 197 K HA -0.009 4.312 4.320 0.001 0.000 0.210 197 K C 2.480 179.109 176.600 0.048 0.000 1.049 197 K CA 0.899 57.222 56.287 0.059 0.000 0.929 197 K CB -1.127 31.455 32.500 0.137 0.000 0.714 197 K HN 0.380 nan 8.250 nan 0.000 0.440 198 L N 1.148 122.418 121.223 0.079 0.000 2.034 198 L HA -0.270 4.071 4.340 0.001 0.000 0.217 198 L C 2.236 179.085 176.870 -0.034 0.000 1.077 198 L CA 1.418 56.278 54.840 0.033 0.000 0.769 198 L CB -0.278 41.800 42.059 0.031 0.000 0.890 198 L HN -0.086 nan 8.230 nan 0.000 0.435 199 V N -0.173 119.692 119.914 -0.081 0.000 2.295 199 V HA -0.308 3.813 4.120 0.001 0.000 0.246 199 V C 2.404 178.385 176.094 -0.188 0.000 1.049 199 V CA 2.236 64.419 62.300 -0.195 0.000 1.024 199 V CB -0.641 30.993 31.823 -0.315 0.000 0.648 199 V HN 0.517 nan 8.190 nan 0.000 0.447 200 E N -0.213 119.908 120.200 -0.132 0.000 2.130 200 E HA -0.232 4.119 4.350 0.001 0.000 0.196 200 E C 2.442 179.009 176.600 -0.055 0.000 0.998 200 E CA 1.190 57.533 56.400 -0.094 0.000 0.806 200 E CB -0.137 29.516 29.700 -0.078 0.000 0.738 200 E HN 0.549 nan 8.360 nan 0.000 0.459 201 R N -0.102 120.376 120.500 -0.037 0.000 2.112 201 R HA 0.114 4.455 4.340 0.001 0.000 0.216 201 R C 2.263 178.552 176.300 -0.018 0.000 1.080 201 R CA 0.847 56.939 56.100 -0.013 0.000 0.996 201 R CB -0.181 30.125 30.300 0.009 0.000 0.902 201 R HN 0.066 nan 8.270 nan 0.000 0.449 202 A N 1.323 124.124 122.820 -0.033 0.000 1.969 202 A HA -0.110 4.211 4.320 0.001 0.000 0.218 202 A C 2.005 179.578 177.584 -0.019 0.000 1.169 202 A CA 1.851 53.870 52.037 -0.029 0.000 0.635 202 A CB -0.381 18.593 19.000 -0.042 0.000 0.810 202 A HN 0.441 nan 8.150 nan 0.000 0.445 203 T N -5.092 109.443 114.554 -0.032 0.000 3.044 203 T HA 0.411 4.762 4.350 0.001 0.000 0.260 203 T C 1.266 175.985 174.700 0.032 0.000 1.019 203 T CA 0.989 63.099 62.100 0.017 0.000 0.921 203 T CB -0.013 68.872 68.868 0.028 0.000 1.053 203 T HN 1.536 nan 8.240 nan 0.000 0.533 204 G N 1.671 110.475 108.800 0.008 0.000 2.337 204 G HA2 -0.228 3.732 3.960 0.001 0.000 0.290 204 G HA3 -0.228 3.732 3.960 0.001 0.000 0.290 204 G C -0.126 174.785 174.900 0.019 0.000 1.003 204 G CA 0.740 45.846 45.100 0.011 0.000 0.825 204 G HN 0.658 nan 8.290 nan 0.000 0.509 205 L N 0.469 121.706 121.223 0.023 0.000 2.381 205 L HA 0.401 4.742 4.340 0.001 0.000 0.268 205 L C 0.083 176.953 176.870 0.000 0.000 0.997 205 L CA -1.295 53.570 54.840 0.041 0.000 0.818 205 L CB 1.667 43.805 42.059 0.130 0.000 1.310 205 L HN 0.312 nan 8.230 nan 0.000 0.416 206 D N 2.445 122.834 120.400 -0.018 0.000 2.362 206 D HA 0.070 4.710 4.640 0.001 0.000 0.242 206 D C 0.719 176.983 176.300 -0.059 0.000 1.132 206 D CA -0.488 53.467 54.000 -0.074 0.000 0.907 206 D CB 1.389 42.130 40.800 -0.098 0.000 1.195 206 D HN 0.334 nan 8.370 nan 0.000 0.429 207 L N -1.168 119.963 121.223 -0.154 0.000 2.610 207 L HA 0.174 4.514 4.340 0.001 0.000 0.232 207 L C 1.754 178.588 176.870 -0.060 0.000 1.149 207 L CA 0.658 55.441 54.840 -0.095 0.000 0.872 207 L CB -1.611 40.356 42.059 -0.153 0.000 0.992 207 L HN 0.412 nan 8.230 nan 0.000 0.447 208 E N 0.942 121.070 120.200 -0.119 0.000 2.028 208 E HA -0.241 4.110 4.350 0.001 0.000 0.191 208 E C 2.203 178.871 176.600 0.112 0.000 0.988 208 E CA 1.637 58.076 56.400 0.065 0.000 0.799 208 E CB -0.253 29.474 29.700 0.045 0.000 0.755 208 E HN 0.675 nan 8.360 nan 0.000 0.447 209 Q N -1.153 118.689 119.800 0.071 0.000 2.020 209 Q HA -0.225 4.116 4.340 0.001 0.000 0.202 209 Q C 2.134 178.192 176.000 0.097 0.000 0.982 209 Q CA 1.790 57.636 55.803 0.072 0.000 0.838 209 Q CB -0.444 28.326 28.738 0.053 0.000 0.899 209 Q HN 0.477 nan 8.270 nan 0.000 0.423 210 Y N 0.550 120.861 120.300 0.018 0.000 2.256 210 Y HA -0.277 4.274 4.550 0.001 0.000 0.288 210 Y C 1.933 177.868 175.900 0.057 0.000 1.155 210 Y CA 1.454 59.572 58.100 0.029 0.000 1.203 210 Y CB -0.114 38.357 38.460 0.019 0.000 0.980 210 Y HN 0.286 nan 8.280 nan 0.000 0.530 211 L N 0.190 121.552 121.223 0.232 0.000 2.027 211 L HA -0.223 4.118 4.340 0.001 0.000 0.206 211 L C 2.159 179.074 176.870 0.075 0.000 1.074 211 L CA 1.810 56.774 54.840 0.207 0.000 0.745 211 L CB -0.844 41.410 42.059 0.325 0.000 0.898 211 L HN 0.195 nan 8.230 nan 0.000 0.433 212 Q N -0.175 119.664 119.800 0.065 0.000 2.119 212 Q HA -0.212 4.128 4.340 0.001 0.000 0.201 212 Q C 2.210 178.190 176.000 -0.034 0.000 0.972 212 Q CA 1.851 57.670 55.803 0.027 0.000 0.847 212 Q CB -0.327 28.433 28.738 0.037 0.000 0.903 212 Q HN 0.673 nan 8.270 nan 0.000 0.433 213 E N 0.361 120.508 120.200 -0.088 0.000 2.072 213 E HA -0.046 4.305 4.350 0.001 0.000 0.190 213 E C 1.365 177.843 176.600 -0.203 0.000 0.982 213 E CA 0.599 56.912 56.400 -0.144 0.000 0.803 213 E CB 0.166 29.757 29.700 -0.182 0.000 0.755 213 E HN 0.373 nan 8.360 nan 0.000 0.453 214 N N -0.764 117.748 118.700 -0.313 0.000 2.220 214 N HA 0.164 4.905 4.740 0.001 0.000 0.195 214 N C 1.157 176.588 175.510 -0.131 0.000 1.123 214 N CA 0.299 53.160 53.050 -0.314 0.000 0.874 214 N CB 1.239 39.313 38.487 -0.688 0.000 0.995 214 N HN 0.135 nan 8.380 nan 0.000 0.498 215 I N -0.957 119.568 120.570 -0.074 0.000 4.079 215 I HA 0.004 4.175 4.170 0.001 0.000 0.276 215 I C 1.542 177.650 176.117 -0.015 0.000 1.146 215 I CA 0.162 61.448 61.300 -0.022 0.000 1.324 215 I CB 0.295 38.308 38.000 0.022 0.000 1.638 215 I HN 0.003 nan 8.210 nan 0.000 0.436 216 C N 1.324 120.623 119.300 -0.003 0.000 2.473 216 C HA -0.026 4.434 4.460 0.001 0.000 0.279 216 C C 3.055 178.041 174.990 -0.006 0.000 1.250 216 C CA 1.176 60.198 59.018 0.005 0.000 1.713 216 C CB -1.090 26.664 27.740 0.024 0.000 2.066 216 C HN 0.594 nan 8.230 nan 0.000 0.474 217 A N 2.003 124.813 122.820 -0.017 0.000 1.884 217 A HA -0.174 4.146 4.320 0.001 0.000 0.219 217 A C 0.266 177.838 177.584 -0.021 0.000 1.197 217 A CA 2.399 54.424 52.037 -0.020 0.000 0.637 217 A CB -2.080 16.901 19.000 -0.032 0.000 0.827 217 A HN 0.472 nan 8.150 nan 0.000 0.450 218 P HA -0.115 nan 4.420 nan 0.000 0.217 218 P C 0.923 178.213 177.300 -0.016 0.000 1.148 218 P CA 1.003 64.088 63.100 -0.025 0.000 0.828 218 P CB -0.075 31.606 31.700 -0.032 0.000 0.783 219 L N -2.739 118.476 121.223 -0.013 0.000 2.700 219 L HA 0.346 4.687 4.340 0.001 0.000 0.234 219 L C 0.807 177.678 176.870 0.001 0.000 1.156 219 L CA -0.011 54.826 54.840 -0.005 0.000 0.946 219 L CB -0.721 41.335 42.059 -0.005 0.000 1.216 219 L HN 0.038 nan 8.230 nan 0.000 0.493 220 G N 2.039 110.837 108.800 -0.002 0.000 2.370 220 G HA2 -0.278 3.683 3.960 0.001 0.000 0.293 220 G HA3 -0.278 3.683 3.960 0.001 0.000 0.293 220 G C -0.215 174.688 174.900 0.004 0.000 0.992 220 G CA 0.108 45.209 45.100 0.001 0.000 1.247 220 G HN 0.321 nan 8.290 nan 0.000 0.505 221 I N 0.007 120.581 120.570 0.007 0.000 2.460 221 I HA 0.530 4.700 4.170 0.001 0.000 0.298 221 I C 1.286 177.414 176.117 0.017 0.000 0.989 221 I CA -0.248 61.060 61.300 0.014 0.000 1.173 221 I CB 2.014 40.026 38.000 0.019 0.000 1.338 221 I HN 0.247 nan 8.210 nan 0.000 0.456 222 T N -1.857 112.708 114.554 0.019 0.000 3.058 222 T HA 0.110 4.461 4.350 0.001 0.000 0.278 222 T C 0.275 174.992 174.700 0.028 0.000 0.974 222 T CA -0.273 61.840 62.100 0.021 0.000 0.893 222 T CB -0.181 68.695 68.868 0.013 0.000 1.138 222 T HN 0.648 nan 8.240 nan 0.000 0.529 223 D N 0.560 120.980 120.400 0.033 0.000 2.424 223 D HA 0.384 5.025 4.640 0.001 0.000 0.220 223 D C 0.113 176.456 176.300 0.071 0.000 1.150 223 D CA -0.483 53.543 54.000 0.043 0.000 0.831 223 D CB -0.040 40.777 40.800 0.029 0.000 0.981 223 D HN 0.267 nan 8.370 nan 0.000 0.500 224 M N 1.098 120.741 119.600 0.072 0.000 2.113 224 M HA 0.463 4.944 4.480 0.001 0.000 0.352 224 M C -0.884 175.473 176.300 0.096 0.000 1.170 224 M CA 0.287 55.640 55.300 0.088 0.000 1.053 224 M CB 1.545 34.193 32.600 0.079 0.000 1.601 224 M HN -0.022 nan 8.290 nan 0.000 0.459 225 T N 3.112 117.728 114.554 0.103 0.000 2.957 225 T HA 0.392 4.743 4.350 0.001 0.000 0.336 225 T C -0.173 174.602 174.700 0.124 0.000 1.462 225 T CA -0.533 61.650 62.100 0.138 0.000 1.073 225 T CB 0.548 69.497 68.868 0.135 0.000 1.319 225 T HN 0.525 nan 8.240 nan 0.000 0.485 226 F N 1.885 121.922 119.950 0.144 0.000 2.219 226 F HA 0.348 4.876 4.527 0.001 0.000 0.294 226 F C 1.763 177.649 175.800 0.143 0.000 1.086 226 F CA 0.565 58.656 58.000 0.152 0.000 1.330 226 F CB 0.359 39.418 39.000 0.098 0.000 1.047 226 F HN 0.248 nan 8.300 nan 0.000 0.495 227 K N 2.232 122.806 120.400 0.290 0.000 2.265 227 K HA 0.126 4.447 4.320 0.001 0.000 0.242 227 K C 1.042 177.699 176.600 0.095 0.000 1.137 227 K CA 0.001 56.387 56.287 0.164 0.000 1.082 227 K CB 0.834 33.403 32.500 0.115 0.000 1.731 227 K HN 0.222 nan 8.250 nan 0.000 0.392 228 L N 2.385 123.643 121.223 0.058 0.000 2.109 228 L HA -0.191 4.149 4.340 0.001 0.000 0.207 228 L C 1.933 178.759 176.870 -0.072 0.000 1.086 228 L CA 1.902 56.704 54.840 -0.063 0.000 0.760 228 L CB -0.220 41.653 42.059 -0.311 0.000 0.910 228 L HN 0.541 nan 8.230 nan 0.000 0.437 229 Q N -0.547 119.226 119.800 -0.045 0.000 2.308 229 Q HA -0.254 4.086 4.340 0.001 0.000 0.209 229 Q C 1.510 177.503 176.000 -0.012 0.000 0.985 229 Q CA 1.647 57.433 55.803 -0.028 0.000 0.881 229 Q CB -0.560 28.177 28.738 -0.001 0.000 0.917 229 Q HN 0.525 nan 8.270 nan 0.000 0.443 230 Q N -0.056 119.745 119.800 0.002 0.000 2.228 230 Q HA 0.176 4.516 4.340 0.001 0.000 0.211 230 Q C -0.406 175.597 176.000 0.004 0.000 0.890 230 Q CA -0.179 55.629 55.803 0.009 0.000 0.953 230 Q CB 0.631 29.383 28.738 0.023 0.000 1.053 230 Q HN 0.137 nan 8.270 nan 0.000 0.471 231 R N 0.470 120.964 120.500 -0.010 0.000 2.639 231 R HA 0.172 4.513 4.340 0.001 0.000 0.273 231 R C -2.186 174.101 176.300 -0.022 0.000 1.732 231 R CA -1.584 54.509 56.100 -0.011 0.000 1.586 231 R CB 0.861 31.156 30.300 -0.009 0.000 1.263 231 R HN 0.078 nan 8.270 nan 0.000 0.615 232 P HA -0.238 nan 4.420 nan 0.000 0.215 232 P C 0.512 177.802 177.300 -0.017 0.000 1.157 232 P CA 1.650 64.740 63.100 -0.017 0.000 0.874 232 P CB 0.270 31.964 31.700 -0.010 0.000 0.790 233 D N 1.168 121.560 120.400 -0.012 0.000 2.192 233 D HA -0.252 4.388 4.640 0.001 0.000 0.189 233 D C 2.059 178.350 176.300 -0.014 0.000 1.007 233 D CA 2.251 56.245 54.000 -0.010 0.000 0.859 233 D CB -1.457 39.340 40.800 -0.006 0.000 0.936 233 D HN 0.348 nan 8.370 nan 0.000 0.447 234 M N -1.355 118.234 119.600 -0.019 0.000 2.516 234 M HA 0.290 4.771 4.480 0.001 0.000 0.259 234 M C 2.130 178.402 176.300 -0.046 0.000 1.146 234 M CA 0.167 55.453 55.300 -0.024 0.000 1.122 234 M CB 0.019 32.610 32.600 -0.015 0.000 1.341 234 M HN 0.094 nan 8.290 nan 0.000 0.478 235 L N 1.758 122.943 121.223 -0.064 0.000 2.042 235 L HA -0.142 4.199 4.340 0.001 0.000 0.210 235 L C 2.793 179.630 176.870 -0.055 0.000 1.076 235 L CA 1.861 56.646 54.840 -0.092 0.000 0.749 235 L CB -0.371 41.638 42.059 -0.082 0.000 0.893 235 L HN 0.492 nan 8.230 nan 0.000 0.432 236 A N 0.570 123.371 122.820 -0.031 0.000 1.972 236 A HA -0.220 4.101 4.320 0.001 0.000 0.219 236 A C 2.093 179.673 177.584 -0.006 0.000 1.169 236 A CA 1.776 53.804 52.037 -0.015 0.000 0.635 236 A CB -0.531 18.463 19.000 -0.011 0.000 0.810 236 A HN 0.705 nan 8.150 nan 0.000 0.446 237 R N 0.073 120.568 120.500 -0.008 0.000 2.468 237 R HA 0.163 4.503 4.340 0.001 0.000 0.280 237 R C 0.565 176.875 176.300 0.015 0.000 0.963 237 R CA -0.403 55.699 56.100 0.004 0.000 1.083 237 R CB -0.219 30.080 30.300 -0.001 0.000 1.200 237 R HN 0.580 nan 8.270 nan 0.000 0.541 238 R N 0.810 121.316 120.500 0.009 0.000 2.827 238 R HA 0.316 4.657 4.340 0.001 0.000 0.269 238 R C -0.580 175.772 176.300 0.087 0.000 1.048 238 R CA 0.100 56.222 56.100 0.036 0.000 1.173 238 R CB 0.378 30.662 30.300 -0.027 0.000 1.070 238 R HN 0.067 nan 8.270 nan 0.000 0.498 239 A N 2.266 125.172 122.820 0.143 0.000 2.362 239 A HA 0.172 4.493 4.320 0.001 0.000 0.276 239 A C -0.649 177.047 177.584 0.187 0.000 1.153 239 A CA -0.709 51.423 52.037 0.159 0.000 0.813 239 A CB 0.316 19.424 19.000 0.179 0.000 1.081 239 A HN 0.773 nan 8.150 nan 0.000 0.507 240 D N 1.908 122.416 120.400 0.180 0.000 2.341 240 D HA 0.162 4.802 4.640 0.001 0.000 0.245 240 D C 0.252 176.642 176.300 0.151 0.000 1.106 240 D CA 0.198 54.318 54.000 0.200 0.000 0.905 240 D CB 0.701 41.694 40.800 0.322 0.000 1.202 240 D HN 0.467 nan 8.370 nan 0.000 0.426 241 Q N 0.632 120.479 119.800 0.079 0.000 2.373 241 Q HA 0.208 4.548 4.340 0.001 0.000 0.255 241 Q C -0.248 175.753 176.000 0.002 0.000 0.980 241 Q CA 0.445 56.272 55.803 0.041 0.000 0.882 241 Q CB 1.011 29.755 28.738 0.011 0.000 1.249 241 Q HN 0.335 nan 8.270 nan 0.000 0.438 242 T N 2.373 116.958 114.554 0.051 0.000 2.863 242 T HA 0.323 4.673 4.350 0.001 0.000 0.285 242 T C -0.894 173.847 174.700 0.069 0.000 1.009 242 T CA -0.505 61.632 62.100 0.062 0.000 0.989 242 T CB 1.106 70.023 68.868 0.081 0.000 1.004 242 T HN 0.365 nan 8.240 nan 0.000 0.455 243 H N 2.198 121.257 119.070 -0.018 0.000 2.667 243 H HA 0.455 5.012 4.556 0.001 0.000 0.353 243 H C -0.610 174.710 175.328 -0.013 0.000 1.072 243 H CA -0.722 55.313 56.048 -0.020 0.000 1.214 243 H CB 1.555 31.298 29.762 -0.032 0.000 1.600 243 H HN 0.556 nan 8.280 nan 0.000 0.527 244 R N 4.411 124.775 120.500 -0.227 0.000 2.349 244 R HA 0.267 4.608 4.340 0.001 0.000 0.299 244 R C -0.736 175.595 176.300 0.052 0.000 1.027 244 R CA -0.612 55.441 56.100 -0.078 0.000 0.958 244 R CB 0.716 30.918 30.300 -0.163 0.000 1.047 244 R HN 0.648 nan 8.270 nan 0.000 0.468 245 N N 1.934 120.682 118.700 0.081 0.000 2.530 245 N HA 0.033 4.773 4.740 0.001 0.000 0.277 245 N C 0.323 175.854 175.510 0.035 0.000 1.168 245 N CA -0.335 52.769 53.050 0.090 0.000 0.979 245 N CB 1.658 40.179 38.487 0.057 0.000 1.141 245 N HN 0.597 nan 8.380 nan 0.000 0.459 246 S N 1.173 116.896 115.700 0.039 0.000 2.383 246 S HA -0.138 4.333 4.470 0.001 0.000 0.227 246 S C 2.020 176.618 174.600 -0.003 0.000 1.026 246 S CA 0.982 59.187 58.200 0.008 0.000 0.981 246 S CB -0.193 63.014 63.200 0.012 0.000 0.818 246 S HN 0.742 nan 8.310 nan 0.000 0.472 247 A N 2.241 125.063 122.820 0.002 0.000 1.873 247 A HA -0.137 4.184 4.320 0.001 0.000 0.215 247 A C 1.778 179.357 177.584 -0.008 0.000 1.186 247 A CA 1.857 53.892 52.037 -0.004 0.000 0.616 247 A CB -0.663 18.337 19.000 -0.001 0.000 0.823 247 A HN 0.420 nan 8.150 nan 0.000 0.442 248 D N -2.325 118.072 120.400 -0.004 0.000 2.202 248 D HA 0.313 4.954 4.640 0.001 0.000 0.214 248 D C 1.589 177.878 176.300 -0.018 0.000 0.967 248 D CA 1.748 55.743 54.000 -0.008 0.000 0.871 248 D CB -0.252 40.548 40.800 0.000 0.000 1.020 248 D HN 0.649 nan 8.370 nan 0.000 0.474 249 G N -0.090 108.697 108.800 -0.021 0.000 2.194 249 G HA2 -0.270 3.691 3.960 0.001 0.000 0.236 249 G HA3 -0.270 3.691 3.960 0.001 0.000 0.236 249 G C 0.450 175.330 174.900 -0.033 0.000 0.987 249 G CA -0.097 44.980 45.100 -0.038 0.000 0.635 249 G HN 0.246 nan 8.290 nan 0.000 0.520 250 R N -0.289 120.203 120.500 -0.013 0.000 2.543 250 R HA 0.695 5.036 4.340 0.001 0.000 0.268 250 R C 0.185 176.492 176.300 0.012 0.000 1.067 250 R CA -0.410 55.689 56.100 -0.002 0.000 1.142 250 R CB 0.508 30.813 30.300 0.007 0.000 1.110 250 R HN 0.321 nan 8.270 nan 0.000 0.549 251 L N -0.485 120.753 121.223 0.024 0.000 2.342 251 L HA 0.688 5.029 4.340 0.001 0.000 0.271 251 L C -0.316 176.597 176.870 0.071 0.000 1.008 251 L CA -0.887 53.978 54.840 0.042 0.000 0.818 251 L CB 1.509 43.584 42.059 0.027 0.000 1.296 251 L HN 0.605 nan 8.230 nan 0.000 0.427 252 R N 0.252 120.811 120.500 0.099 0.000 2.867 252 R HA 0.558 4.899 4.340 0.001 0.000 0.268 252 R C -1.095 175.296 176.300 0.153 0.000 1.014 252 R CA -0.951 55.223 56.100 0.123 0.000 0.946 252 R CB 1.000 31.364 30.300 0.107 0.000 1.208 252 R HN 0.617 nan 8.270 nan 0.000 0.477 253 Y N 0.864 121.201 120.300 0.061 0.000 2.511 253 Y HA 0.234 4.785 4.550 0.001 0.000 0.347 253 Y C -0.494 175.448 175.900 0.069 0.000 1.257 253 Y CA 1.039 59.178 58.100 0.064 0.000 1.469 253 Y CB 0.801 39.291 38.460 0.049 0.000 1.353 253 Y HN 0.835 nan 8.280 nan 0.000 0.617 267 F N 1.773 121.713 119.950 -0.017 0.000 2.375 267 F HA 0.569 5.096 4.527 0.001 0.000 0.333 267 F C 1.466 177.332 175.800 0.110 0.000 1.104 267 F CA 1.077 59.057 58.000 -0.034 0.000 1.149 267 F CB 0.652 39.634 39.000 -0.031 0.000 1.190 267 F HN 0.414 nan 8.300 nan 0.000 0.533 268 G N 0.257 109.213 108.800 0.260 0.000 2.716 268 G HA2 0.386 4.346 3.960 0.001 0.000 0.251 268 G HA3 0.386 4.346 3.960 0.001 0.000 0.251 268 G C 0.944 176.026 174.900 0.303 0.000 1.224 268 G CA -0.014 45.284 45.100 0.330 0.000 0.891 268 G HN 1.305 nan 8.290 nan 0.000 0.561 269 G N -1.306 107.660 108.800 0.277 0.000 2.363 269 G HA2 -0.069 3.892 3.960 0.001 0.000 0.238 269 G HA3 -0.069 3.892 3.960 0.001 0.000 0.238 269 G C 0.291 175.340 174.900 0.248 0.000 1.062 269 G CA 1.447 46.689 45.100 0.237 0.000 0.629 269 G HN 1.556 nan 8.290 nan 0.000 0.514 270 Q N -2.042 117.908 119.800 0.250 0.000 2.633 270 Q HA 0.610 4.950 4.340 0.001 0.000 0.289 270 Q C 0.287 176.401 176.000 0.189 0.000 0.940 270 Q CA 0.119 56.033 55.803 0.186 0.000 0.785 270 Q CB 1.084 29.904 28.738 0.136 0.000 1.467 270 Q HN 2.002 nan 8.270 nan 0.000 0.401 271 G N -0.747 108.089 108.800 0.059 0.000 2.215 271 G HA2 -0.049 3.912 3.960 0.001 0.000 0.198 271 G HA3 -0.049 3.912 3.960 0.001 0.000 0.198 271 G C -0.766 174.055 174.900 -0.132 0.000 1.047 271 G CA -0.193 44.927 45.100 0.033 0.000 0.747 271 G HN 0.578 nan 8.290 nan 0.000 0.495 272 V N 0.254 119.986 119.914 -0.303 0.000 2.532 272 V HA 0.762 4.883 4.120 0.001 0.000 0.295 272 V C -0.035 175.914 176.094 -0.242 0.000 1.041 272 V CA -0.689 61.364 62.300 -0.411 0.000 0.926 272 V CB 1.584 33.144 31.823 -0.437 0.000 0.992 272 V HN 0.242 nan 8.190 nan 0.000 0.457 273 F N 3.252 123.156 119.950 -0.076 0.000 2.427 273 F HA 0.658 5.185 4.527 0.001 0.000 0.346 273 F C 0.411 176.228 175.800 0.028 0.000 1.120 273 F CA 0.077 58.085 58.000 0.013 0.000 1.033 273 F CB 1.940 40.956 39.000 0.026 0.000 1.126 273 F HN 0.527 nan 8.300 nan 0.000 0.462 274 S N 2.424 118.252 115.700 0.214 0.000 2.579 274 S HA 0.773 5.244 4.470 0.001 0.000 0.272 274 S C -0.512 174.138 174.600 0.083 0.000 1.141 274 S CA -0.740 57.556 58.200 0.158 0.000 0.843 274 S CB 1.438 64.745 63.200 0.178 0.000 1.122 274 S HN 0.887 nan 8.310 nan 0.000 0.468 275 G N 2.012 110.826 108.800 0.024 0.000 2.406 275 G HA2 0.462 4.423 3.960 0.001 0.000 0.251 275 G HA3 0.462 4.423 3.960 0.001 0.000 0.251 275 G C -1.275 173.517 174.900 -0.181 0.000 1.271 275 G CA -1.429 43.617 45.100 -0.090 0.000 0.859 275 G HN 0.598 nan 8.290 nan 0.000 0.540 276 P HA -0.102 nan 4.420 nan 0.000 0.220 276 P C 1.848 179.051 177.300 -0.162 0.000 1.148 276 P CA 1.369 64.085 63.100 -0.639 0.000 0.803 276 P CB 0.167 31.187 31.700 -1.134 0.000 0.782 277 G N 0.125 108.843 108.800 -0.136 0.000 2.422 277 G HA2 -0.209 3.751 3.960 0.001 0.000 0.218 277 G HA3 -0.209 3.751 3.960 0.001 0.000 0.218 277 G C 1.754 176.657 174.900 0.006 0.000 1.146 277 G CA 0.786 45.853 45.100 -0.055 0.000 0.769 277 G HN 0.236 nan 8.290 nan 0.000 0.547 278 S N -0.535 115.178 115.700 0.021 0.000 2.371 278 S HA -0.059 4.412 4.470 0.001 0.000 0.224 278 S C 1.956 176.608 174.600 0.087 0.000 1.029 278 S CA 0.706 58.935 58.200 0.047 0.000 0.978 278 S CB -0.428 62.800 63.200 0.047 0.000 0.833 278 S HN 0.447 nan 8.310 nan 0.000 0.466 279 Y N 1.701 122.018 120.300 0.028 0.000 2.193 279 Y HA -0.250 4.301 4.550 0.001 0.000 0.285 279 Y C 2.397 178.332 175.900 0.059 0.000 1.166 279 Y CA 1.790 59.930 58.100 0.067 0.000 1.181 279 Y CB -0.332 38.235 38.460 0.177 0.000 0.976 279 Y HN 0.193 nan 8.280 nan 0.000 0.520 280 M N 0.717 120.435 119.600 0.197 0.000 2.065 280 M HA -0.238 4.243 4.480 0.001 0.000 0.259 280 M C 1.968 178.301 176.300 0.054 0.000 1.069 280 M CA 1.914 57.289 55.300 0.126 0.000 1.110 280 M CB -0.545 32.109 32.600 0.090 0.000 1.328 280 M HN 0.090 nan 8.290 nan 0.000 0.405 281 K N -0.897 119.527 120.400 0.040 0.000 2.077 281 K HA -0.223 4.098 4.320 0.001 0.000 0.213 281 K C 1.851 178.471 176.600 0.034 0.000 1.051 281 K CA 2.012 58.333 56.287 0.056 0.000 0.929 281 K CB -0.884 31.635 32.500 0.031 0.000 0.715 281 K HN 0.308 nan 8.250 nan 0.000 0.451 282 V N 1.753 121.627 119.914 -0.067 0.000 2.261 282 V HA -0.249 3.872 4.120 0.001 0.000 0.246 282 V C 2.271 178.289 176.094 -0.128 0.000 1.047 282 V CA 1.697 63.909 62.300 -0.147 0.000 1.015 282 V CB -0.423 31.199 31.823 -0.335 0.000 0.642 282 V HN 0.286 nan 8.190 nan 0.000 0.446 283 L N -0.774 120.364 121.223 -0.142 0.000 2.127 283 L HA -0.234 4.106 4.340 0.001 0.000 0.211 283 L C 2.563 179.490 176.870 0.096 0.000 1.089 283 L CA 1.666 56.477 54.840 -0.048 0.000 0.757 283 L CB -0.729 41.349 42.059 0.032 0.000 0.899 283 L HN 0.446 nan 8.230 nan 0.000 0.434 284 H N 0.086 119.149 119.070 -0.013 0.000 2.276 284 H HA -0.137 4.420 4.556 0.001 0.000 0.301 284 H C 2.526 177.851 175.328 -0.005 0.000 1.073 284 H CA 1.591 57.642 56.048 0.005 0.000 1.311 284 H CB -0.296 29.471 29.762 0.008 0.000 1.379 284 H HN 0.343 nan 8.280 nan 0.000 0.494 285 S N 0.381 116.078 115.700 -0.004 0.000 2.374 285 S HA -0.192 4.279 4.470 0.001 0.000 0.227 285 S C 2.426 176.990 174.600 -0.059 0.000 1.037 285 S CA 1.623 59.774 58.200 -0.081 0.000 1.024 285 S CB -0.939 62.235 63.200 -0.044 0.000 0.861 285 S HN 0.407 nan 8.310 nan 0.000 0.456 286 L N 0.459 121.672 121.223 -0.016 0.000 1.994 286 L HA -0.081 4.260 4.340 0.001 0.000 0.208 286 L C 2.736 179.616 176.870 0.018 0.000 1.071 286 L CA 1.546 56.400 54.840 0.023 0.000 0.745 286 L CB -0.777 41.319 42.059 0.063 0.000 0.892 286 L HN 0.347 nan 8.230 nan 0.000 0.431 287 L N 1.150 122.395 121.223 0.036 0.000 2.013 287 L HA -0.229 4.111 4.340 0.001 0.000 0.212 287 L C 2.019 178.853 176.870 -0.059 0.000 1.073 287 L CA 1.993 56.842 54.840 0.016 0.000 0.753 287 L CB -0.584 41.525 42.059 0.084 0.000 0.890 287 L HN 0.315 nan 8.230 nan 0.000 0.432 288 K N 0.014 120.355 120.400 -0.099 0.000 2.811 288 K HA 0.184 4.505 4.320 0.001 0.000 0.217 288 K C 0.253 176.788 176.600 -0.107 0.000 1.115 288 K CA -0.095 56.117 56.287 -0.126 0.000 1.179 288 K CB -0.022 32.343 32.500 -0.226 0.000 0.994 288 K HN 0.410 nan 8.250 nan 0.000 0.464 289 R N 0.618 121.069 120.500 -0.082 0.000 3.973 289 R HA -0.250 4.091 4.340 0.001 0.000 0.322 289 R C 0.186 176.452 176.300 -0.057 0.000 1.238 289 R CA 1.929 57.991 56.100 -0.063 0.000 0.937 289 R CB -2.705 27.558 30.300 -0.061 0.000 1.340 289 R HN 0.704 nan 8.270 nan 0.000 0.552 290 D N 0.620 120.976 120.400 -0.073 0.000 2.350 290 D HA -0.053 4.588 4.640 0.001 0.000 0.216 290 D C 1.449 177.723 176.300 -0.044 0.000 0.968 290 D CA 1.487 55.446 54.000 -0.069 0.000 0.894 290 D CB -0.519 40.223 40.800 -0.097 0.000 0.909 290 D HN 0.735 nan 8.370 nan 0.000 0.520 291 G N 0.147 108.926 108.800 -0.035 0.000 2.168 291 G HA2 -0.324 3.637 3.960 0.001 0.000 0.263 291 G HA3 -0.324 3.637 3.960 0.001 0.000 0.263 291 G C 0.884 175.772 174.900 -0.019 0.000 0.977 291 G CA 0.589 45.676 45.100 -0.021 0.000 0.659 291 G HN 0.387 nan 8.290 nan 0.000 0.533 292 L N -0.513 120.695 121.223 -0.025 0.000 2.156 292 L HA 0.192 4.532 4.340 0.001 0.000 0.208 292 L C 2.473 179.331 176.870 -0.019 0.000 1.095 292 L CA 2.525 57.352 54.840 -0.023 0.000 0.770 292 L CB -0.176 41.867 42.059 -0.026 0.000 0.914 292 L HN 0.565 nan 8.230 nan 0.000 0.439 293 L N -5.310 115.903 121.223 -0.016 0.000 2.878 293 L HA 0.472 4.813 4.340 0.001 0.000 0.253 293 L C 0.033 176.907 176.870 0.006 0.000 1.135 293 L CA 0.170 55.004 54.840 -0.010 0.000 0.943 293 L CB -0.074 41.976 42.059 -0.015 0.000 1.307 293 L HN -0.123 nan 8.230 nan 0.000 0.545 294 L N -0.491 120.735 121.223 0.006 0.000 2.510 294 L HA 0.612 4.953 4.340 0.001 0.000 0.252 294 L C -1.212 175.666 176.870 0.013 0.000 1.091 294 L CA -0.260 54.591 54.840 0.019 0.000 0.888 294 L CB 2.028 44.103 42.059 0.027 0.000 1.507 294 L HN 0.161 nan 8.230 nan 0.000 0.407 295 Q N 0.987 120.799 119.800 0.019 0.000 2.339 295 Q HA 0.372 4.712 4.340 0.001 0.000 0.268 295 Q C -1.995 174.014 176.000 0.015 0.000 1.027 295 Q CA -1.735 54.076 55.803 0.013 0.000 0.759 295 Q CB 2.028 30.774 28.738 0.014 0.000 1.244 295 Q HN 0.281 nan 8.270 nan 0.000 0.464 296 P HA -0.314 nan 4.420 nan 0.000 0.226 296 P C 0.581 177.887 177.300 0.009 0.000 1.154 296 P CA 1.607 64.706 63.100 -0.001 0.000 0.901 296 P CB 0.395 32.087 31.700 -0.014 0.000 0.788 297 Q N -1.485 118.322 119.800 0.011 0.000 2.061 297 Q HA -0.148 4.192 4.340 0.001 0.000 0.204 297 Q C 2.261 178.281 176.000 0.034 0.000 0.984 297 Q CA 2.510 58.323 55.803 0.018 0.000 0.846 297 Q CB -1.496 27.251 28.738 0.014 0.000 0.902 297 Q HN 0.423 nan 8.270 nan 0.000 0.421 298 T N -2.855 111.721 114.554 0.036 0.000 2.985 298 T HA -0.008 4.343 4.350 0.001 0.000 0.266 298 T C 1.832 176.576 174.700 0.074 0.000 1.076 298 T CA 0.857 62.985 62.100 0.047 0.000 1.135 298 T CB -0.353 68.539 68.868 0.039 0.000 0.890 298 T HN 0.040 nan 8.240 nan 0.000 0.480 299 V N 2.418 122.379 119.914 0.080 0.000 2.358 299 V HA -0.126 3.995 4.120 0.001 0.000 0.246 299 V C 2.572 178.794 176.094 0.213 0.000 1.047 299 V CA 2.005 64.387 62.300 0.138 0.000 1.035 299 V CB -0.614 31.267 31.823 0.097 0.000 0.658 299 V HN 0.473 nan 8.190 nan 0.000 0.452 300 D N 0.087 120.556 120.400 0.116 0.000 2.158 300 D HA -0.179 4.461 4.640 0.001 0.000 0.197 300 D C 2.174 178.579 176.300 0.174 0.000 0.995 300 D CA 1.164 55.231 54.000 0.111 0.000 0.846 300 D CB -0.249 40.576 40.800 0.041 0.000 0.941 300 D HN 0.315 nan 8.370 nan 0.000 0.456 301 L N 0.200 121.500 121.223 0.129 0.000 2.012 301 L HA -0.191 4.150 4.340 0.001 0.000 0.210 301 L C 2.608 179.548 176.870 0.117 0.000 1.073 301 L CA 1.001 55.904 54.840 0.105 0.000 0.748 301 L CB -0.314 41.787 42.059 0.070 0.000 0.891 301 L HN 0.087 nan 8.230 nan 0.000 0.431 302 M N -1.309 118.369 119.600 0.130 0.000 2.143 302 M HA -0.279 4.202 4.480 0.001 0.000 0.258 302 M C 1.925 178.184 176.300 -0.069 0.000 1.071 302 M CA 1.967 57.283 55.300 0.028 0.000 1.088 302 M CB -0.421 32.178 32.600 -0.000 0.000 1.360 302 M HN 0.117 nan 8.290 nan 0.000 0.404 303 F N -0.253 119.710 119.950 0.021 0.000 2.780 303 F HA 0.025 4.553 4.527 0.001 0.000 0.299 303 F C 1.018 176.823 175.800 0.010 0.000 1.146 303 F CA 0.129 58.138 58.000 0.014 0.000 1.428 303 F CB -0.150 38.862 39.000 0.020 0.000 1.115 303 F HN 0.037 nan 8.300 nan 0.000 0.583 304 Q N 1.844 121.739 119.800 0.160 0.000 2.297 304 Q HA 0.162 4.503 4.340 0.001 0.000 0.267 304 Q C -2.328 173.712 176.000 0.067 0.000 1.006 304 Q CA -2.396 53.466 55.803 0.099 0.000 0.896 304 Q CB 0.032 28.818 28.738 0.080 0.000 1.186 304 Q HN 0.017 nan 8.270 nan 0.000 0.392 305 P HA 0.051 nan 4.420 nan 0.000 0.269 305 P C -0.139 177.200 177.300 0.065 0.000 1.263 305 P CA 0.182 63.312 63.100 0.050 0.000 0.813 305 P CB 0.531 32.253 31.700 0.037 0.000 0.868 306 A N 5.183 128.059 122.820 0.094 0.000 2.119 306 A HA 0.005 4.326 4.320 0.001 0.000 0.216 306 A C 0.984 178.626 177.584 0.096 0.000 1.152 306 A CA 0.586 52.681 52.037 0.096 0.000 0.708 306 A CB -0.392 18.684 19.000 0.127 0.000 0.805 306 A HN 0.410 nan 8.150 nan 0.000 0.460 307 L N 1.973 123.261 121.223 0.108 0.000 2.418 307 L HA 0.129 4.470 4.340 0.001 0.000 0.274 307 L C 0.056 176.965 176.870 0.065 0.000 1.135 307 L CA 0.202 55.100 54.840 0.097 0.000 0.870 307 L CB -0.133 41.976 42.059 0.084 0.000 1.154 307 L HN 0.404 nan 8.230 nan 0.000 0.462 308 E N 5.515 125.753 120.200 0.064 0.000 2.438 308 E HA -0.050 4.301 4.350 0.001 0.000 0.261 308 E C -1.455 175.170 176.600 0.041 0.000 1.103 308 E CA -0.747 55.681 56.400 0.048 0.000 0.959 308 E CB 0.181 29.910 29.700 0.048 0.000 0.958 308 E HN 0.400 nan 8.360 nan 0.000 0.447 309 P HA -0.233 nan 4.420 nan 0.000 0.215 309 P C 1.186 178.502 177.300 0.027 0.000 1.157 309 P CA 1.340 64.455 63.100 0.026 0.000 0.868 309 P CB 0.133 31.846 31.700 0.021 0.000 0.788 310 R N 0.330 120.847 120.500 0.029 0.000 2.115 310 R HA -0.014 4.327 4.340 0.001 0.000 0.226 310 R C 1.991 178.314 176.300 0.039 0.000 1.100 310 R CA 1.298 57.416 56.100 0.030 0.000 0.980 310 R CB -1.463 28.853 30.300 0.027 0.000 0.875 310 R HN 0.230 nan 8.270 nan 0.000 0.445 311 L N 1.433 122.684 121.223 0.047 0.000 2.027 311 L HA -0.149 4.192 4.340 0.001 0.000 0.206 311 L C 2.637 179.541 176.870 0.056 0.000 1.074 311 L CA 2.039 56.918 54.840 0.065 0.000 0.745 311 L CB -0.414 41.696 42.059 0.085 0.000 0.898 311 L HN 0.341 nan 8.230 nan 0.000 0.433 312 E N -0.686 119.536 120.200 0.036 0.000 2.268 312 E HA -0.239 4.112 4.350 0.001 0.000 0.195 312 E C 1.924 178.522 176.600 -0.003 0.000 0.995 312 E CA 0.957 57.359 56.400 0.004 0.000 0.836 312 E CB -0.126 29.577 29.700 0.004 0.000 0.763 312 E HN 0.339 nan 8.360 nan 0.000 0.491 313 E N 1.140 121.350 120.200 0.016 0.000 2.051 313 E HA -0.194 4.157 4.350 0.001 0.000 0.189 313 E C 2.206 178.826 176.600 0.032 0.000 0.979 313 E CA 1.550 57.961 56.400 0.018 0.000 0.803 313 E CB -0.032 29.682 29.700 0.022 0.000 0.761 313 E HN 0.604 nan 8.360 nan 0.000 0.451 314 Q N 0.279 120.108 119.800 0.049 0.000 2.181 314 Q HA -0.145 4.196 4.340 0.001 0.000 0.205 314 Q C 2.176 178.241 176.000 0.108 0.000 0.980 314 Q CA 1.915 57.764 55.803 0.078 0.000 0.862 314 Q CB -0.528 28.258 28.738 0.079 0.000 0.905 314 Q HN 0.221 nan 8.270 nan 0.000 0.429 315 M N 0.413 120.053 119.600 0.067 0.000 2.064 315 M HA -0.164 4.317 4.480 0.001 0.000 0.260 315 M C 1.344 177.634 176.300 -0.017 0.000 1.073 315 M CA 1.800 57.109 55.300 0.015 0.000 1.124 315 M CB -0.233 32.246 32.600 -0.202 0.000 1.326 315 M HN 0.308 nan 8.290 nan 0.000 0.410 316 N N 0.630 119.303 118.700 -0.045 0.000 2.094 316 N HA -0.230 4.511 4.740 0.001 0.000 0.191 316 N C 1.682 177.197 175.510 0.008 0.000 1.023 316 N CA 1.649 54.676 53.050 -0.038 0.000 0.857 316 N CB -0.582 37.887 38.487 -0.030 0.000 1.013 316 N HN 0.571 nan 8.380 nan 0.000 0.426 317 Q N -0.220 119.609 119.800 0.048 0.000 2.050 317 Q HA -0.197 4.144 4.340 0.001 0.000 0.202 317 Q C 1.979 178.049 176.000 0.116 0.000 0.980 317 Q CA 1.448 57.296 55.803 0.074 0.000 0.840 317 Q CB -0.373 28.416 28.738 0.085 0.000 0.898 317 Q HN 0.574 nan 8.270 nan 0.000 0.424 318 H N 0.752 119.862 119.070 0.066 0.000 2.290 318 H HA -0.068 4.489 4.556 0.001 0.000 0.298 318 H C 1.968 177.369 175.328 0.121 0.000 1.087 318 H CA 2.007 58.123 56.048 0.113 0.000 1.291 318 H CB -0.181 29.677 29.762 0.159 0.000 1.369 318 H HN 0.098 nan 8.280 nan 0.000 0.492 319 M N 0.054 119.580 119.600 -0.124 0.000 2.159 319 M HA -0.136 4.345 4.480 0.001 0.000 0.263 319 M C 1.531 177.780 176.300 -0.086 0.000 1.063 319 M CA 1.560 56.773 55.300 -0.144 0.000 1.110 319 M CB -0.161 32.390 32.600 -0.081 0.000 1.374 319 M HN 0.327 nan 8.290 nan 0.000 0.411 320 D N 0.951 121.324 120.400 -0.044 0.000 2.117 320 D HA -0.063 4.577 4.640 0.001 0.000 0.198 320 D C 1.964 178.254 176.300 -0.016 0.000 0.982 320 D CA 1.552 55.538 54.000 -0.022 0.000 0.828 320 D CB -0.181 40.617 40.800 -0.002 0.000 0.967 320 D HN 0.326 nan 8.370 nan 0.000 0.464 321 A N 0.528 123.349 122.820 0.001 0.000 2.121 321 A HA -0.038 4.282 4.320 0.001 0.000 0.218 321 A C 1.154 178.756 177.584 0.030 0.000 1.154 321 A CA 0.885 52.945 52.037 0.038 0.000 0.679 321 A CB -0.154 18.900 19.000 0.090 0.000 0.795 321 A HN 0.216 nan 8.150 nan 0.000 0.458 322 S N -0.715 114.936 115.700 -0.083 0.000 2.252 322 S HA 0.434 4.905 4.470 0.001 0.000 0.180 322 S C -1.826 172.602 174.600 -0.286 0.000 1.534 322 S CA -1.012 57.057 58.200 -0.219 0.000 1.141 322 S CB 1.197 64.188 63.200 -0.348 0.000 1.122 322 S HN 0.295 nan 8.310 nan 0.000 0.475 323 P HA -0.089 nan 4.420 nan 0.000 0.230 323 P C 1.397 178.635 177.300 -0.103 0.000 1.168 323 P CA 0.798 63.841 63.100 -0.094 0.000 0.793 323 P CB -0.236 31.456 31.700 -0.014 0.000 0.851 324 H N -0.226 118.819 119.070 -0.043 0.000 2.457 324 H HA 0.045 4.602 4.556 0.001 0.000 0.294 324 H C 1.804 177.108 175.328 -0.040 0.000 1.064 324 H CA 0.685 56.709 56.048 -0.040 0.000 1.330 324 H CB -0.931 28.818 29.762 -0.022 0.000 1.395 324 H HN 0.161 nan 8.280 nan 0.000 0.541 325 I N 0.712 120.969 120.570 -0.523 0.000 2.385 325 I HA -0.146 4.025 4.170 0.001 0.000 0.244 325 I C 0.404 176.386 176.117 -0.225 0.000 1.089 325 I CA 0.589 61.647 61.300 -0.404 0.000 1.410 325 I CB -0.376 37.204 38.000 -0.700 0.000 1.117 325 I HN 0.150 nan 8.210 nan 0.000 0.429 326 N N 0.737 119.283 118.700 -0.258 0.000 2.573 326 N HA -0.254 4.486 4.740 0.001 0.000 0.280 326 N C 0.149 175.700 175.510 0.068 0.000 1.187 326 N CA 0.350 53.358 53.050 -0.070 0.000 0.717 326 N CB -1.228 37.221 38.487 -0.064 0.000 0.899 326 N HN 0.307 nan 8.380 nan 0.000 0.546 327 Y N -0.317 119.986 120.300 0.006 0.000 2.333 327 Y HA -0.007 4.543 4.550 0.001 0.000 0.290 327 Y C 2.358 178.237 175.900 -0.034 0.000 1.144 327 Y CA 1.352 59.403 58.100 -0.083 0.000 1.228 327 Y CB -0.243 38.160 38.460 -0.095 0.000 0.985 327 Y HN 0.523 nan 8.280 nan 0.000 0.542 328 G N -0.607 108.271 108.800 0.130 0.000 2.422 328 G HA2 0.111 4.072 3.960 0.001 0.000 0.218 328 G HA3 0.111 4.072 3.960 0.001 0.000 0.218 328 G C 1.606 176.526 174.900 0.034 0.000 1.146 328 G CA 1.064 46.186 45.100 0.038 0.000 0.769 328 G HN 0.678 nan 8.290 nan 0.000 0.547 329 G N 0.525 109.359 108.800 0.058 0.000 3.031 329 G HA2 -0.293 3.667 3.960 0.001 0.000 0.289 329 G HA3 -0.293 3.667 3.960 0.001 0.000 0.289 329 G C -0.557 174.273 174.900 -0.116 0.000 1.393 329 G CA 0.822 45.877 45.100 -0.074 0.000 1.010 329 G HN 0.498 nan 8.290 nan 0.000 0.579 330 P HA 0.207 nan 4.420 nan 0.000 0.245 330 P C 1.145 178.567 177.300 0.203 0.000 1.199 330 P CA 1.159 64.309 63.100 0.084 0.000 0.807 330 P CB -0.032 31.782 31.700 0.190 0.000 1.002 331 M N -1.030 118.617 119.600 0.079 0.000 2.288 331 M HA 0.597 5.077 4.480 0.001 0.000 0.334 331 M C -2.509 173.808 176.300 0.027 0.000 1.150 331 M CA -2.407 52.893 55.300 -0.000 0.000 1.118 331 M CB -0.264 32.193 32.600 -0.238 0.000 1.501 331 M HN -0.386 nan 8.290 nan 0.000 0.462 332 P HA -0.101 nan 4.420 nan 0.000 0.264 332 P C 0.523 177.826 177.300 0.004 0.000 1.156 332 P CA 0.371 63.501 63.100 0.049 0.000 0.756 332 P CB 0.281 32.004 31.700 0.038 0.000 0.764 333 M N 2.088 121.690 119.600 0.004 0.000 2.117 333 M HA -0.058 4.423 4.480 0.001 0.000 0.262 333 M C 0.632 176.923 176.300 -0.015 0.000 1.065 333 M CA 1.537 56.829 55.300 -0.013 0.000 1.114 333 M CB -0.603 31.988 32.600 -0.016 0.000 1.361 333 M HN 0.044 nan 8.290 nan 0.000 0.408 334 V N 2.001 121.910 119.914 -0.009 0.000 2.383 334 V HA 0.481 4.601 4.120 0.001 0.000 0.275 334 V C -0.091 175.993 176.094 -0.016 0.000 1.036 334 V CA -0.348 61.946 62.300 -0.011 0.000 0.889 334 V CB 1.894 33.715 31.823 -0.004 0.000 0.985 334 V HN 0.274 nan 8.190 nan 0.000 0.459 335 L N 4.480 125.687 121.223 -0.027 0.000 2.622 335 L HA 0.575 4.915 4.340 0.001 0.000 0.258 335 L C -0.697 176.148 176.870 -0.042 0.000 0.996 335 L CA -0.885 53.931 54.840 -0.039 0.000 0.858 335 L CB 2.624 44.647 42.059 -0.061 0.000 1.449 335 L HN 0.619 nan 8.230 nan 0.000 0.411 336 R N 2.572 123.047 120.500 -0.042 0.000 2.196 336 R HA 0.553 4.894 4.340 0.001 0.000 0.340 336 R C -1.171 175.097 176.300 -0.054 0.000 1.043 336 R CA -0.354 55.722 56.100 -0.040 0.000 0.883 336 R CB 0.673 30.957 30.300 -0.027 0.000 1.078 336 R HN 0.532 nan 8.270 nan 0.000 0.462 337 R N 1.740 122.201 120.500 -0.066 0.000 2.912 337 R HA 0.546 4.887 4.340 0.001 0.000 0.262 337 R C -0.782 175.473 176.300 -0.075 0.000 1.057 337 R CA -0.812 55.240 56.100 -0.080 0.000 0.981 337 R CB 1.788 32.024 30.300 -0.107 0.000 1.201 337 R HN 0.488 nan 8.270 nan 0.000 0.484 338 S N -0.769 114.890 115.700 -0.068 0.000 2.971 338 S HA 0.734 5.205 4.470 0.001 0.000 0.320 338 S C -1.706 172.885 174.600 -0.014 0.000 1.111 338 S CA -0.590 57.586 58.200 -0.041 0.000 0.870 338 S CB 0.751 63.949 63.200 -0.004 0.000 1.331 338 S HN 0.347 nan 8.310 nan 0.000 0.635 339 F N -0.299 119.581 119.950 -0.117 0.000 2.599 339 F HA 0.730 5.258 4.527 0.001 0.000 0.311 339 F C 0.407 176.207 175.800 0.001 0.000 1.076 339 F CA 0.074 58.030 58.000 -0.072 0.000 0.937 339 F CB 1.678 40.635 39.000 -0.071 0.000 1.282 339 F HN 0.695 nan 8.300 nan 0.000 0.460 340 G N 2.540 111.238 108.800 -0.171 0.000 3.341 340 G HA2 0.452 4.412 3.960 0.001 0.000 0.177 340 G HA3 0.452 4.412 3.960 0.001 0.000 0.177 340 G C -1.323 173.651 174.900 0.124 0.000 1.236 340 G CA -0.717 44.369 45.100 -0.024 0.000 0.888 340 G HN 0.528 nan 8.290 nan 0.000 0.644 341 L N 1.106 122.331 121.223 0.003 0.000 2.435 341 L HA 0.575 4.915 4.340 0.001 0.000 0.253 341 L C 0.853 177.739 176.870 0.028 0.000 1.087 341 L CA 0.241 55.134 54.840 0.089 0.000 0.950 341 L CB 1.003 43.099 42.059 0.062 0.000 1.304 341 L HN 0.976 nan 8.230 nan 0.000 0.453 342 G N 0.908 109.754 108.800 0.077 0.000 2.624 342 G HA2 0.042 4.003 3.960 0.001 0.000 0.190 342 G HA3 0.042 4.003 3.960 0.001 0.000 0.190 342 G C 0.165 175.072 174.900 0.012 0.000 1.008 342 G CA -0.162 44.991 45.100 0.088 0.000 0.731 342 G HN 0.884 nan 8.290 nan 0.000 0.478 343 G N -0.643 107.869 108.800 -0.479 0.000 2.490 343 G HA2 0.561 4.522 3.960 0.001 0.000 0.308 343 G HA3 0.561 4.522 3.960 0.001 0.000 0.308 343 G C -1.127 172.974 174.900 -1.332 0.000 1.286 343 G CA -0.369 44.311 45.100 -0.701 0.000 0.825 343 G HN 0.559 nan 8.290 nan 0.000 0.479 344 I N 0.645 120.883 120.570 -0.553 0.000 2.581 344 I HA 0.424 4.595 4.170 0.001 0.000 0.288 344 I C -0.070 175.868 176.117 -0.300 0.000 1.047 344 I CA -0.227 60.849 61.300 -0.373 0.000 1.374 344 I CB 1.038 38.980 38.000 -0.095 0.000 1.423 344 I HN 0.258 nan 8.210 nan 0.000 0.549 345 I N 3.818 124.256 120.570 -0.221 0.000 2.418 345 I HA 0.323 4.494 4.170 0.001 0.000 0.287 345 I C 0.318 176.379 176.117 -0.092 0.000 1.008 345 I CA -0.779 60.441 61.300 -0.134 0.000 1.104 345 I CB 1.898 39.840 38.000 -0.098 0.000 1.264 345 I HN 0.630 nan 8.210 nan 0.000 0.438 346 A N 7.101 129.870 122.820 -0.086 0.000 2.473 346 A HA 0.257 4.578 4.320 0.001 0.000 0.282 346 A C 1.084 178.634 177.584 -0.057 0.000 1.163 346 A CA -0.007 51.974 52.037 -0.093 0.000 0.827 346 A CB 0.022 18.943 19.000 -0.133 0.000 1.098 346 A HN 0.895 nan 8.150 nan 0.000 0.515 347 L N 1.517 122.710 121.223 -0.051 0.000 2.109 347 L HA -0.041 4.300 4.340 0.001 0.000 0.207 347 L C 1.742 178.597 176.870 -0.025 0.000 1.086 347 L CA 1.244 56.067 54.840 -0.029 0.000 0.760 347 L CB -0.170 41.873 42.059 -0.026 0.000 0.910 347 L HN 0.950 nan 8.230 nan 0.000 0.437 348 E N -0.885 119.293 120.200 -0.037 0.000 2.446 348 E HA 0.130 4.481 4.350 0.001 0.000 0.251 348 E C -0.829 175.744 176.600 -0.046 0.000 1.087 348 E CA -0.880 55.501 56.400 -0.030 0.000 0.937 348 E CB 1.072 30.757 29.700 -0.024 0.000 1.254 348 E HN -0.119 nan 8.360 nan 0.000 0.479 349 D N 0.358 120.738 120.400 -0.034 0.000 2.277 349 D HA 0.102 4.743 4.640 0.001 0.000 0.249 349 D C 0.889 177.152 176.300 -0.061 0.000 1.134 349 D CA -0.243 53.733 54.000 -0.040 0.000 0.863 349 D CB 1.494 42.291 40.800 -0.006 0.000 1.143 349 D HN 0.332 nan 8.370 nan 0.000 0.458 350 L N 2.673 123.817 121.223 -0.131 0.000 2.093 350 L HA -0.082 4.258 4.340 0.001 0.000 0.208 350 L C 0.936 177.812 176.870 0.010 0.000 1.085 350 L CA 1.459 56.192 54.840 -0.178 0.000 0.755 350 L CB -0.078 41.649 42.059 -0.554 0.000 0.904 350 L HN 0.435 nan 8.230 nan 0.000 0.435 351 D N -1.400 119.040 120.400 0.068 0.000 2.881 351 D HA 0.364 5.005 4.640 0.001 0.000 0.238 351 D C 0.405 176.765 176.300 0.100 0.000 1.368 351 D CA 0.597 54.674 54.000 0.129 0.000 0.871 351 D CB -0.207 40.736 40.800 0.237 0.000 1.516 351 D HN 0.222 nan 8.370 nan 0.000 0.544 352 G N 2.782 111.622 108.800 0.067 0.000 2.614 352 G HA2 -0.353 3.608 3.960 0.001 0.000 0.303 352 G HA3 -0.353 3.608 3.960 0.001 0.000 0.303 352 G C 0.699 175.646 174.900 0.077 0.000 1.270 352 G CA 0.580 45.718 45.100 0.062 0.000 0.988 352 G HN 0.442 nan 8.290 nan 0.000 0.551 353 E N 1.262 121.512 120.200 0.084 0.000 2.465 353 E HA 0.208 4.559 4.350 0.001 0.000 0.191 353 E C 2.015 178.705 176.600 0.150 0.000 1.053 353 E CA 0.456 56.922 56.400 0.109 0.000 0.869 353 E CB 0.050 29.801 29.700 0.085 0.000 0.977 353 E HN 0.435 nan 8.360 nan 0.000 0.483 354 N N -0.580 118.202 118.700 0.138 0.000 2.250 354 N HA -0.037 4.704 4.740 0.001 0.000 0.181 354 N C 0.103 175.718 175.510 0.176 0.000 1.017 354 N CA 0.687 53.819 53.050 0.137 0.000 0.866 354 N CB 0.101 38.641 38.487 0.088 0.000 0.985 354 N HN 0.159 nan 8.380 nan 0.000 0.429 355 W N 0.927 122.133 121.300 -0.156 0.000 3.564 355 W HA 0.477 5.137 4.660 0.001 0.000 0.499 355 W C -0.255 175.993 176.519 -0.453 0.000 1.284 355 W CA -1.196 55.833 57.345 -0.527 0.000 0.898 355 W CB -0.171 28.943 29.460 -0.575 0.000 2.588 355 W HN -0.373 nan 8.180 nan 0.000 0.680 356 R N 1.946 121.982 120.500 -0.773 0.000 2.756 356 R HA 0.157 4.498 4.340 0.001 0.000 0.264 356 R C -0.118 176.089 176.300 -0.155 0.000 1.026 356 R CA 0.003 55.822 56.100 -0.469 0.000 1.121 356 R CB 0.265 30.128 30.300 -0.727 0.000 0.999 356 R HN 0.031 nan 8.270 nan 0.000 0.449 357 R N 1.889 122.386 120.500 -0.006 0.000 2.664 357 R HA 0.178 4.518 4.340 0.001 0.000 0.286 357 R C -0.414 175.882 176.300 -0.008 0.000 0.967 357 R CA -1.100 55.010 56.100 0.015 0.000 0.933 357 R CB 0.877 31.221 30.300 0.072 0.000 1.146 357 R HN 0.532 nan 8.270 nan 0.000 0.468 358 K N 0.644 121.038 120.400 -0.010 0.000 2.513 358 K HA -0.139 4.181 4.320 0.001 0.000 0.275 358 K C 0.627 177.243 176.600 0.026 0.000 1.025 358 K CA 1.822 58.107 56.287 -0.003 0.000 1.125 358 K CB -0.108 32.394 32.500 0.003 0.000 0.843 358 K HN 0.820 nan 8.250 nan 0.000 0.486 359 G N 2.117 110.942 108.800 0.041 0.000 2.284 359 G HA2 -0.296 3.664 3.960 0.001 0.000 0.216 359 G HA3 -0.296 3.664 3.960 0.001 0.000 0.216 359 G C -0.049 174.963 174.900 0.186 0.000 1.009 359 G CA 0.140 45.301 45.100 0.101 0.000 0.625 359 G HN 1.011 nan 8.290 nan 0.000 0.501 360 S N 0.496 116.274 115.700 0.130 0.000 2.558 360 S HA 0.487 4.958 4.470 0.001 0.000 0.288 360 S C -0.055 174.624 174.600 0.132 0.000 1.318 360 S CA 0.397 58.705 58.200 0.180 0.000 1.056 360 S CB 1.907 65.155 63.200 0.079 0.000 0.853 360 S HN 1.539 nan 8.310 nan 0.000 0.505 361 L N 2.953 124.286 121.223 0.183 0.000 2.316 361 L HA 0.614 4.955 4.340 0.001 0.000 0.280 361 L C -0.043 176.860 176.870 0.055 0.000 1.006 361 L CA 0.093 54.916 54.840 -0.030 0.000 0.836 361 L CB 1.696 43.504 42.059 -0.417 0.000 1.221 361 L HN 0.953 nan 8.230 nan 0.000 0.418 362 T N 3.998 118.470 114.554 -0.136 0.000 2.918 362 T HA 0.738 5.089 4.350 0.001 0.000 0.286 362 T C -1.189 173.138 174.700 -0.621 0.000 1.026 362 T CA -0.180 61.700 62.100 -0.366 0.000 1.031 362 T CB 0.754 69.479 68.868 -0.238 0.000 1.046 362 T HN 0.451 nan 8.240 nan 0.000 0.479 363 F N 0.459 119.456 119.950 -1.588 0.000 2.985 363 F HA 0.747 5.274 4.527 0.001 0.000 0.322 363 F C -0.154 175.012 175.800 -1.056 0.000 1.187 363 F CA 0.170 57.557 58.000 -1.022 0.000 0.910 363 F CB 1.381 40.046 39.000 -0.559 0.000 1.411 363 F HN 0.888 nan 8.300 nan 0.000 0.492 364 G N -0.391 107.847 108.800 -0.937 0.000 2.606 364 G HA2 0.559 4.519 3.960 0.001 0.000 0.300 364 G HA3 0.559 4.519 3.960 0.001 0.000 0.300 364 G C -1.697 172.954 174.900 -0.415 0.000 1.360 364 G CA -0.193 44.627 45.100 -0.467 0.000 0.783 364 G HN 1.078 nan 8.290 nan 0.000 0.484 365 G N -1.585 107.099 108.800 -0.194 0.000 2.569 365 G HA2 0.602 4.562 3.960 0.001 0.000 0.300 365 G HA3 0.602 4.562 3.960 0.001 0.000 0.300 365 G C 1.099 175.920 174.900 -0.132 0.000 1.269 365 G CA 0.508 45.503 45.100 -0.176 0.000 0.959 365 G HN 1.497 nan 8.290 nan 0.000 0.478 366 G N 0.972 109.691 108.800 -0.135 0.000 2.808 366 G HA2 -0.229 3.731 3.960 0.001 0.000 0.225 366 G HA3 -0.229 3.731 3.960 0.001 0.000 0.225 366 G C -0.773 174.215 174.900 0.146 0.000 1.210 366 G CA 1.339 46.424 45.100 -0.025 0.000 0.777 366 G HN 0.562 nan 8.290 nan 0.000 0.640 367 P HA 0.158 nan 4.420 nan 0.000 0.261 367 P C -0.143 177.203 177.300 0.076 0.000 1.650 367 P CA -0.082 63.056 63.100 0.063 0.000 0.846 367 P CB -0.602 31.119 31.700 0.035 0.000 1.758 368 N N -1.142 117.650 118.700 0.154 0.000 2.725 368 N HA -0.174 4.566 4.740 0.001 0.000 0.249 368 N C -0.234 175.352 175.510 0.127 0.000 1.103 368 N CA 0.685 53.753 53.050 0.030 0.000 0.707 368 N CB -1.428 36.883 38.487 -0.293 0.000 1.043 368 N HN 0.385 nan 8.380 nan 0.000 0.553 369 I N 0.878 121.492 120.570 0.073 0.000 2.416 369 I HA 0.222 4.393 4.170 0.001 0.000 0.288 369 I C 0.615 176.760 176.117 0.046 0.000 1.051 369 I CA -0.270 60.958 61.300 -0.121 0.000 1.375 369 I CB 1.487 39.203 38.000 -0.474 0.000 1.407 369 I HN -0.160 nan 8.210 nan 0.000 0.516 370 V N 8.635 128.602 119.914 0.090 0.000 2.569 370 V HA 0.534 4.655 4.120 0.001 0.000 0.301 370 V C -0.960 175.265 176.094 0.219 0.000 1.044 370 V CA -0.327 62.028 62.300 0.091 0.000 0.874 370 V CB 1.542 33.431 31.823 0.109 0.000 1.002 370 V HN 0.834 nan 8.190 nan 0.000 0.424 371 W N 5.591 127.016 121.300 0.209 0.000 2.671 371 W HA 0.889 5.550 4.660 0.001 0.000 0.360 371 W C -1.238 175.427 176.519 0.243 0.000 1.128 371 W CA -0.825 56.683 57.345 0.271 0.000 1.184 371 W CB 1.624 31.298 29.460 0.356 0.000 1.415 371 W HN 0.739 nan 8.180 nan 0.000 0.604 372 Q N 0.829 121.022 119.800 0.656 0.000 2.403 372 Q HA 0.524 4.865 4.340 0.001 0.000 0.267 372 Q C -1.986 174.314 176.000 0.500 0.000 0.991 372 Q CA -0.664 55.425 55.803 0.477 0.000 0.906 372 Q CB 1.921 30.793 28.738 0.223 0.000 1.422 372 Q HN 0.466 nan 8.270 nan 0.000 0.400 373 I N 2.244 123.110 120.570 0.493 0.000 2.389 373 I HA 0.430 4.601 4.170 0.001 0.000 0.288 373 I C -0.882 175.471 176.117 0.394 0.000 0.999 373 I CA -0.554 61.006 61.300 0.434 0.000 1.129 373 I CB 1.675 40.012 38.000 0.562 0.000 1.288 373 I HN 0.797 nan 8.210 nan 0.000 0.444 374 D N 9.194 129.746 120.400 0.253 0.000 2.464 374 D HA 0.342 4.982 4.640 0.001 0.000 0.243 374 D C -1.946 174.396 176.300 0.069 0.000 1.104 374 D CA -2.014 52.096 54.000 0.183 0.000 0.883 374 D CB 2.253 43.178 40.800 0.209 0.000 1.050 374 D HN 0.150 nan 8.370 nan 0.000 0.524 375 P HA -0.062 nan 4.420 nan 0.000 0.217 375 P C 1.254 178.524 177.300 -0.050 0.000 1.151 375 P CA 0.879 63.912 63.100 -0.112 0.000 0.828 375 P CB 0.477 31.996 31.700 -0.302 0.000 0.788 376 K N 0.037 120.430 120.400 -0.012 0.000 2.148 376 K HA -0.011 4.310 4.320 0.001 0.000 0.204 376 K C 1.828 178.449 176.600 0.034 0.000 1.050 376 K CA 1.239 57.533 56.287 0.010 0.000 0.942 376 K CB -0.479 32.036 32.500 0.025 0.000 0.724 376 K HN -0.042 nan 8.250 nan 0.000 0.446 377 A N 0.030 122.877 122.820 0.044 0.000 2.208 377 A HA 0.208 4.529 4.320 0.001 0.000 0.209 377 A C 1.330 178.903 177.584 -0.017 0.000 1.161 377 A CA 0.691 52.746 52.037 0.031 0.000 0.782 377 A CB -0.397 18.617 19.000 0.023 0.000 0.816 377 A HN 0.506 nan 8.150 nan 0.000 0.477 378 G N -1.262 107.523 108.800 -0.026 0.000 2.179 378 G HA2 -0.226 3.735 3.960 0.001 0.000 0.257 378 G HA3 -0.226 3.735 3.960 0.001 0.000 0.257 378 G C -0.025 174.768 174.900 -0.179 0.000 1.010 378 G CA 0.790 45.867 45.100 -0.038 0.000 0.736 378 G HN 0.497 nan 8.290 nan 0.000 0.513 379 L N -1.035 120.059 121.223 -0.215 0.000 2.309 379 L HA 0.849 5.189 4.340 0.001 0.000 0.261 379 L C 0.479 177.324 176.870 -0.041 0.000 1.021 379 L CA -0.821 53.851 54.840 -0.281 0.000 0.823 379 L CB 2.580 44.316 42.059 -0.538 0.000 1.366 379 L HN 0.670 nan 8.230 nan 0.000 0.423 380 C N -0.674 118.636 119.300 0.017 0.000 2.752 380 C HA 0.818 5.279 4.460 0.001 0.000 0.360 380 C C -0.218 174.893 174.990 0.202 0.000 1.081 380 C CA -0.485 58.631 59.018 0.163 0.000 1.272 380 C CB 0.559 28.415 27.740 0.194 0.000 1.754 380 C HN 0.894 nan 8.230 nan 0.000 0.483 381 T N 1.189 115.927 114.554 0.308 0.000 2.924 381 T HA 0.816 5.166 4.350 0.001 0.000 0.291 381 T C -1.069 173.927 174.700 0.493 0.000 1.045 381 T CA -0.623 61.713 62.100 0.395 0.000 1.015 381 T CB 1.775 70.879 68.868 0.394 0.000 1.103 381 T HN 1.821 nan 8.240 nan 0.000 0.496 382 L N 1.701 123.242 121.223 0.530 0.000 2.491 382 L HA 0.789 5.130 4.340 0.001 0.000 0.267 382 L C -0.708 176.372 176.870 0.350 0.000 0.971 382 L CA -0.528 54.598 54.840 0.476 0.000 0.857 382 L CB 1.284 43.618 42.059 0.458 0.000 1.226 382 L HN 1.112 nan 8.230 nan 0.000 0.408 383 A N 4.363 127.357 122.820 0.291 0.000 2.274 383 A HA 0.720 5.041 4.320 0.001 0.000 0.309 383 A C -1.327 176.332 177.584 0.126 0.000 1.226 383 A CA -0.214 51.873 52.037 0.084 0.000 0.853 383 A CB 0.302 19.420 19.000 0.197 0.000 1.146 383 A HN 0.614 nan 8.150 nan 0.000 0.518 384 F N 2.840 122.694 119.950 -0.161 0.000 2.496 384 F HA 0.688 5.215 4.527 0.001 0.000 0.341 384 F C -1.139 174.501 175.800 -0.268 0.000 1.134 384 F CA -0.855 57.085 58.000 -0.099 0.000 0.968 384 F CB 1.003 39.958 39.000 -0.076 0.000 1.205 384 F HN 0.524 nan 8.300 nan 0.000 0.436 385 F N 2.576 122.576 119.950 0.083 0.000 2.618 385 F HA 0.519 5.047 4.527 0.001 0.000 0.332 385 F C 0.246 176.110 175.800 0.107 0.000 1.061 385 F CA -0.669 57.403 58.000 0.120 0.000 0.974 385 F CB 1.544 40.563 39.000 0.030 0.000 1.310 385 F HN 0.147 nan 8.300 nan 0.000 0.491 386 Q N 2.160 122.160 119.800 0.333 0.000 2.506 386 Q HA 0.298 4.638 4.340 0.001 0.000 0.380 386 Q C -1.573 174.518 176.000 0.152 0.000 0.867 386 Q CA -0.229 55.703 55.803 0.215 0.000 1.093 386 Q CB 1.514 30.383 28.738 0.219 0.000 1.388 386 Q HN 0.478 nan 8.270 nan 0.000 0.400 387 L N -0.042 121.250 121.223 0.115 0.000 2.385 387 L HA 0.535 4.876 4.340 0.001 0.000 0.273 387 L C -0.689 176.153 176.870 -0.047 0.000 0.990 387 L CA -0.089 54.762 54.840 0.018 0.000 0.821 387 L CB 1.611 43.652 42.059 -0.030 0.000 1.279 387 L HN -0.075 nan 8.230 nan 0.000 0.412 388 E N 5.671 125.820 120.200 -0.085 0.000 2.212 388 E HA 0.553 4.904 4.350 0.001 0.000 0.270 388 E C -2.623 173.715 176.600 -0.437 0.000 0.956 388 E CA -1.716 54.601 56.400 -0.137 0.000 0.825 388 E CB 1.918 31.625 29.700 0.012 0.000 1.167 388 E HN 0.459 nan 8.360 nan 0.000 0.400 389 P HA 0.077 nan 4.420 nan 0.000 0.281 389 P C 0.031 177.295 177.300 -0.059 0.000 1.281 389 P CA -0.665 62.366 63.100 -0.115 0.000 0.811 389 P CB 0.938 32.601 31.700 -0.062 0.000 1.154 390 W N 1.657 122.867 121.300 -0.151 0.000 2.253 390 W HA -0.102 4.559 4.660 0.001 0.000 0.348 390 W C 0.307 176.717 176.519 -0.181 0.000 1.267 390 W CA 0.960 58.202 57.345 -0.171 0.000 1.298 390 W CB -0.508 28.851 29.460 -0.169 0.000 1.181 390 W HN 0.657 nan 8.180 nan 0.000 0.585 391 N N 2.880 120.772 118.700 -1.348 0.000 2.708 391 N HA -0.245 4.495 4.740 0.001 0.000 0.255 391 N C -1.063 174.110 175.510 -0.561 0.000 1.046 391 N CA 1.206 53.617 53.050 -1.066 0.000 0.715 391 N CB -1.149 36.854 38.487 -0.806 0.000 0.895 391 N HN 0.444 nan 8.380 nan 0.000 0.545 392 D N 0.058 120.141 120.400 -0.527 0.000 2.256 392 D HA 0.270 4.911 4.640 0.001 0.000 0.250 392 D C -1.346 174.740 176.300 -0.357 0.000 1.093 392 D CA -1.965 51.804 54.000 -0.386 0.000 0.882 392 D CB 1.275 41.839 40.800 -0.393 0.000 1.185 392 D HN 0.134 nan 8.370 nan 0.000 0.437 393 P HA -0.160 nan 4.420 nan 0.000 0.215 393 P C 1.553 178.710 177.300 -0.239 0.000 1.157 393 P CA 1.290 64.254 63.100 -0.227 0.000 0.868 393 P CB 0.083 31.677 31.700 -0.176 0.000 0.788 394 V N -3.174 116.588 119.914 -0.253 0.000 2.453 394 V HA -0.205 3.916 4.120 0.001 0.000 0.247 394 V C 2.137 178.028 176.094 -0.337 0.000 1.048 394 V CA 1.835 63.978 62.300 -0.260 0.000 1.049 394 V CB -1.848 29.837 31.823 -0.230 0.000 0.672 394 V HN 0.098 nan 8.190 nan 0.000 0.457 395 C N 0.194 119.217 119.300 -0.463 0.000 2.453 395 C HA -0.032 4.429 4.460 0.001 0.000 0.277 395 C C 2.940 177.695 174.990 -0.392 0.000 1.262 395 C CA 1.590 60.199 59.018 -0.683 0.000 1.718 395 C CB -1.263 25.848 27.740 -1.048 0.000 2.031 395 C HN 0.665 nan 8.230 nan 0.000 0.480 396 R N 1.024 121.315 120.500 -0.348 0.000 2.091 396 R HA -0.185 4.156 4.340 0.001 0.000 0.238 396 R C 1.813 178.032 176.300 -0.134 0.000 1.136 396 R CA 2.320 58.282 56.100 -0.230 0.000 0.959 396 R CB -0.539 29.604 30.300 -0.261 0.000 0.856 396 R HN 0.541 nan 8.270 nan 0.000 0.437 397 D N -0.385 119.913 120.400 -0.170 0.000 2.117 397 D HA -0.142 4.499 4.640 0.001 0.000 0.197 397 D C 1.712 177.937 176.300 -0.124 0.000 0.987 397 D CA 0.941 54.853 54.000 -0.147 0.000 0.829 397 D CB 0.113 40.812 40.800 -0.169 0.000 0.961 397 D HN 0.132 nan 8.370 nan 0.000 0.460 398 L N 0.114 121.238 121.223 -0.165 0.000 2.072 398 L HA -0.031 4.310 4.340 0.001 0.000 0.205 398 L C 2.544 179.518 176.870 0.172 0.000 1.079 398 L CA 1.387 56.108 54.840 -0.199 0.000 0.752 398 L CB -1.088 40.591 42.059 -0.633 0.000 0.906 398 L HN 0.067 nan 8.230 nan 0.000 0.436 399 T N -0.984 113.706 114.554 0.226 0.000 2.674 399 T HA -0.181 4.170 4.350 0.001 0.000 0.265 399 T C 2.076 177.004 174.700 0.380 0.000 1.039 399 T CA 0.965 63.315 62.100 0.418 0.000 1.150 399 T CB -0.148 68.908 68.868 0.314 0.000 0.864 399 T HN 0.168 nan 8.240 nan 0.000 0.427 400 R N 0.922 121.535 120.500 0.189 0.000 2.136 400 R HA -0.158 4.183 4.340 0.001 0.000 0.242 400 R C 2.863 179.203 176.300 0.067 0.000 1.131 400 R CA 2.245 58.396 56.100 0.086 0.000 0.937 400 R CB -1.346 28.920 30.300 -0.057 0.000 0.863 400 R HN 0.630 nan 8.270 nan 0.000 0.435 401 T N -1.823 112.750 114.554 0.031 0.000 3.055 401 T HA -0.070 4.281 4.350 0.001 0.000 0.265 401 T C 1.651 176.473 174.700 0.202 0.000 1.111 401 T CA 0.549 62.650 62.100 0.002 0.000 1.118 401 T CB -0.301 68.541 68.868 -0.043 0.000 0.909 401 T HN 0.219 nan 8.240 nan 0.000 0.501 402 F N 2.721 122.799 119.950 0.213 0.000 2.060 402 F HA 0.079 4.606 4.527 0.001 0.000 0.295 402 F C 2.185 178.091 175.800 0.177 0.000 1.120 402 F CA 1.333 59.488 58.000 0.258 0.000 1.205 402 F CB -0.438 38.786 39.000 0.373 0.000 0.986 402 F HN 0.134 nan 8.300 nan 0.000 0.470 403 E N -0.569 119.560 120.200 -0.119 0.000 2.031 403 E HA -0.267 4.084 4.350 0.001 0.000 0.193 403 E C 2.049 178.536 176.600 -0.188 0.000 0.994 403 E CA 1.790 58.063 56.400 -0.212 0.000 0.800 403 E CB -0.694 29.115 29.700 0.182 0.000 0.752 403 E HN 0.561 nan 8.360 nan 0.000 0.447 404 H N 0.570 119.380 119.070 -0.433 0.000 2.330 404 H HA -0.219 4.338 4.556 0.001 0.000 0.290 404 H C 1.999 177.237 175.328 -0.151 0.000 1.111 404 H CA 2.117 57.918 56.048 -0.412 0.000 1.226 404 H CB -0.232 29.267 29.762 -0.437 0.000 1.355 404 H HN 0.260 nan 8.280 nan 0.000 0.485 405 A N 0.376 123.196 122.820 0.000 0.000 1.840 405 A HA -0.091 4.230 4.320 0.001 0.000 0.214 405 A C 2.229 179.776 177.584 -0.063 0.000 1.198 405 A CA 1.667 53.697 52.037 -0.012 0.000 0.608 405 A CB -0.567 18.441 19.000 0.013 0.000 0.839 405 A HN 0.421 nan 8.150 nan 0.000 0.443 406 I N -3.126 117.334 120.570 -0.183 0.000 2.493 406 I HA -0.137 4.033 4.170 0.001 0.000 0.254 406 I C 2.113 178.190 176.117 -0.066 0.000 1.160 406 I CA 1.000 62.164 61.300 -0.226 0.000 1.445 406 I CB -1.389 36.348 38.000 -0.438 0.000 1.086 406 I HN 0.268 nan 8.210 nan 0.000 0.433 407 Y N 1.590 121.813 120.300 -0.128 0.000 2.224 407 Y HA -0.074 4.476 4.550 0.001 0.000 0.289 407 Y C 2.736 178.655 175.900 0.032 0.000 1.146 407 Y CA 1.689 59.779 58.100 -0.017 0.000 1.182 407 Y CB -0.635 37.832 38.460 0.012 0.000 0.983 407 Y HN 0.241 nan 8.280 nan 0.000 0.524 408 A N -0.435 122.470 122.820 0.141 0.000 1.872 408 A HA -0.191 4.130 4.320 0.001 0.000 0.214 408 A C 2.226 179.845 177.584 0.058 0.000 1.187 408 A CA 1.498 53.591 52.037 0.092 0.000 0.614 408 A CB -0.762 18.275 19.000 0.062 0.000 0.826 408 A HN 0.460 nan 8.150 nan 0.000 0.442 409 Q N -0.861 118.961 119.800 0.037 0.000 1.927 409 Q HA -0.275 4.065 4.340 0.001 0.000 0.210 409 Q C 2.048 178.073 176.000 0.041 0.000 1.001 409 Q CA 2.529 58.346 55.803 0.023 0.000 0.862 409 Q CB -0.704 28.032 28.738 -0.004 0.000 0.934 409 Q HN 0.701 nan 8.270 nan 0.000 0.420 410 Y N 1.588 121.840 120.300 -0.079 0.000 2.069 410 Y HA -0.334 4.216 4.550 0.001 0.000 0.278 410 Y C 2.562 178.424 175.900 -0.064 0.000 1.175 410 Y CA 3.051 61.103 58.100 -0.081 0.000 1.134 410 Y CB -0.365 38.019 38.460 -0.128 0.000 0.965 410 Y HN 0.457 nan 8.280 nan 0.000 0.498 411 Q N -0.765 119.040 119.800 0.008 0.000 2.200 411 Q HA -0.101 4.240 4.340 0.001 0.000 0.197 411 Q C 2.014 177.968 176.000 -0.077 0.000 0.953 411 Q CA 1.153 56.902 55.803 -0.090 0.000 0.851 411 Q CB -0.393 28.419 28.738 0.124 0.000 0.938 411 Q HN 0.533 nan 8.270 nan 0.000 0.488 412 Q N 0.621 120.414 119.800 -0.012 0.000 2.425 412 Q HA 0.238 4.578 4.340 0.001 0.000 0.204 412 Q C 0.236 176.220 176.000 -0.027 0.000 0.933 412 Q CA 0.722 56.519 55.803 -0.009 0.000 0.939 412 Q CB 1.129 29.880 28.738 0.023 0.000 1.044 412 Q HN 0.462 nan 8.270 nan 0.000 0.513 413 G N 0.000 108.774 108.800 -0.043 0.000 5.446 413 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 413 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 413 G CA 0.000 45.075 45.100 -0.042 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925