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 3hqq_1_F DATA FIRST_RESID 1 DATA SEQUENCE SQLAHNLTLS IFDPVANYRA ARIICTIGPS TQSVEALKGL IQSGMSVARM DATA SEQUENCE NFSHGSHEYH QTTINNVRQA AAELGVNIAI ALDTKGPEIR TGQFVGGDAV DATA SEQUENCE MERGATCYVT TDPAFADKGT KDKFYIDYQN LSKVVRPGNY IYIDDGILIL DATA SEQUENCE QVQSHEDEQT LECTVTNSHT ISDRRGVNLP GCDVDLPAVS AKDRVDLQFG DATA SEQUENCE VEQGVDMIFA SFIRSAEQVG DVRKALGPKG RDIMIICKIE NHQGVQNIDS DATA SEQUENCE IIEESDGIMV ARGDLGVEIP AEKVVVAQKI LISKCNVAGK PVICATQMLE DATA SEQUENCE SMTYNPRPTR AEVSDVANAV FNGADCVMLS GETAKGKYPN EVVQYMARIC DATA SEQUENCE LEAQSALNEY VFFNSIKKLQ HIPMSADEAV CSSAVNSVYE TKAKAMVVLS DATA SEQUENCE NTGRSARLVA KYRPNCPIVC VTTRLQTCRQ LNITQGVESV FFDADKLGHD DATA SEQUENCE EGKEHRVAAG VEFAKSKGYV QTGDYCVVIH ADHKVKGYAN QTRILLVE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.599 174.600 -0.001 0.000 1.055 1 S CA 0.000 58.194 58.200 -0.009 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 2 Q N 0.603 120.386 119.800 -0.029 0.000 2.224 2 Q HA 0.163 4.504 4.340 0.001 0.000 0.203 2 Q C 1.608 177.621 176.000 0.023 0.000 0.970 2 Q CA 1.785 57.572 55.803 -0.028 0.000 0.865 2 Q CB -0.371 28.323 28.738 -0.074 0.000 0.922 2 Q HN 0.720 nan 8.270 nan 0.000 0.445 3 L N -0.567 120.661 121.223 0.008 0.000 1.994 3 L HA -0.148 4.193 4.340 0.001 0.000 0.208 3 L C 2.139 179.025 176.870 0.026 0.000 1.071 3 L CA 1.403 56.249 54.840 0.009 0.000 0.745 3 L CB -0.648 41.410 42.059 -0.002 0.000 0.892 3 L HN 0.413 nan 8.230 nan 0.000 0.431 4 A N -0.917 121.926 122.820 0.040 0.000 1.877 4 A HA -0.337 3.983 4.320 0.001 0.000 0.216 4 A C 2.023 179.637 177.584 0.050 0.000 1.186 4 A CA 1.973 54.033 52.037 0.039 0.000 0.620 4 A CB -1.041 17.985 19.000 0.043 0.000 0.822 4 A HN 0.655 nan 8.150 nan 0.000 0.443 5 H N 0.449 119.511 119.070 -0.013 0.000 2.390 5 H HA -0.140 4.417 4.556 0.002 0.000 0.298 5 H C 1.896 177.213 175.328 -0.018 0.000 1.106 5 H CA 2.064 58.106 56.048 -0.010 0.000 1.297 5 H CB -0.089 29.666 29.762 -0.012 0.000 1.375 5 H HN 0.420 nan 8.280 nan 0.000 0.509 6 N N 0.173 118.874 118.700 0.001 0.000 2.272 6 N HA -0.126 4.615 4.740 0.001 0.000 0.185 6 N C 1.851 177.302 175.510 -0.097 0.000 1.014 6 N CA 1.100 54.113 53.050 -0.063 0.000 0.870 6 N CB -0.158 38.314 38.487 -0.024 0.000 0.975 6 N HN 0.450 nan 8.380 nan 0.000 0.433 7 L N 0.324 121.503 121.223 -0.073 0.000 2.217 7 L HA -0.064 4.277 4.340 0.001 0.000 0.211 7 L C 2.181 179.005 176.870 -0.076 0.000 1.107 7 L CA 1.216 56.022 54.840 -0.056 0.000 0.783 7 L CB -0.577 41.465 42.059 -0.028 0.000 0.919 7 L HN 0.264 nan 8.230 nan 0.000 0.442 8 T N -2.486 111.990 114.554 -0.131 0.000 3.100 8 T HA 0.139 4.490 4.350 0.001 0.000 0.253 8 T C 0.772 175.385 174.700 -0.144 0.000 1.118 8 T CA -0.173 61.849 62.100 -0.131 0.000 1.058 8 T CB -0.310 68.465 68.868 -0.154 0.000 0.953 8 T HN 0.041 nan 8.240 nan 0.000 0.515 9 L N 1.851 122.972 121.223 -0.171 0.000 2.452 9 L HA 0.525 4.866 4.340 0.001 0.000 0.267 9 L C 0.496 177.339 176.870 -0.044 0.000 1.188 9 L CA -0.544 54.230 54.840 -0.110 0.000 0.821 9 L CB 0.920 42.919 42.059 -0.100 0.000 1.102 9 L HN 0.151 nan 8.230 nan 0.000 0.470 10 S N 0.998 116.693 115.700 -0.009 0.000 2.541 10 S HA 0.383 4.854 4.470 0.001 0.000 0.280 10 S C 0.712 175.324 174.600 0.021 0.000 1.112 10 S CA -0.899 57.309 58.200 0.012 0.000 0.925 10 S CB 1.427 64.657 63.200 0.050 0.000 1.067 10 S HN 0.611 nan 8.310 nan 0.000 0.479 11 I N 1.139 121.692 120.570 -0.028 0.000 2.454 11 I HA 0.057 4.228 4.170 0.001 0.000 0.254 11 I C 0.697 176.822 176.117 0.013 0.000 1.156 11 I CA 1.591 62.855 61.300 -0.060 0.000 1.433 11 I CB -0.286 37.611 38.000 -0.171 0.000 1.082 11 I HN 0.510 nan 8.210 nan 0.000 0.432 12 F N 2.277 122.231 119.950 0.008 0.000 2.773 12 F HA 0.222 4.749 4.527 0.000 0.000 0.304 12 F C 0.450 176.255 175.800 0.008 0.000 1.129 12 F CA -1.045 56.959 58.000 0.007 0.000 1.378 12 F CB -0.908 38.094 39.000 0.004 0.000 1.095 12 F HN 0.095 nan 8.300 nan 0.000 0.565 13 D N 2.561 123.073 120.400 0.186 0.000 2.424 13 D HA 0.091 4.732 4.640 0.001 0.000 0.244 13 D C -1.966 174.394 176.300 0.101 0.000 1.134 13 D CA -1.113 52.954 54.000 0.113 0.000 0.881 13 D CB 0.289 41.137 40.800 0.079 0.000 1.191 13 D HN 0.072 nan 8.370 nan 0.000 0.445 14 P HA 0.045 nan 4.420 nan 0.000 0.275 14 P C -0.009 177.320 177.300 0.050 0.000 1.227 14 P CA -0.535 62.597 63.100 0.054 0.000 0.781 14 P CB 0.809 32.529 31.700 0.035 0.000 0.906 15 V N 0.634 120.573 119.914 0.041 0.000 3.385 15 V HA 0.642 4.763 4.120 0.001 0.000 0.301 15 V C 0.452 176.558 176.094 0.020 0.000 1.082 15 V CA -0.707 61.608 62.300 0.025 0.000 1.085 15 V CB -0.183 31.647 31.823 0.011 0.000 1.152 15 V HN 0.754 nan 8.190 nan 0.000 0.465 16 A N 1.720 124.534 122.820 -0.011 0.000 2.346 16 A HA 0.305 4.625 4.320 0.001 0.000 0.252 16 A C 1.119 178.730 177.584 0.046 0.000 1.089 16 A CA 0.035 52.069 52.037 -0.005 0.000 0.797 16 A CB -0.321 18.592 19.000 -0.146 0.000 1.047 16 A HN 1.128 nan 8.150 nan 0.000 0.494 17 N N -0.926 117.863 118.700 0.148 0.000 2.461 17 N HA 0.079 4.820 4.740 0.001 0.000 0.188 17 N C -0.339 175.365 175.510 0.323 0.000 1.134 17 N CA 0.333 53.512 53.050 0.216 0.000 0.878 17 N CB -0.041 38.594 38.487 0.247 0.000 0.972 17 N HN 0.740 nan 8.380 nan 0.000 0.456 18 Y N -1.304 119.030 120.300 0.056 0.000 2.534 18 Y HA 0.498 5.049 4.550 0.001 0.000 0.345 18 Y C -1.098 174.815 175.900 0.022 0.000 1.031 18 Y CA -1.626 56.498 58.100 0.040 0.000 1.022 18 Y CB 1.249 39.651 38.460 -0.097 0.000 1.292 18 Y HN -0.228 nan 8.280 nan 0.000 0.459 19 R N 2.771 123.267 120.500 -0.006 0.000 2.265 19 R HA 0.681 5.022 4.340 0.001 0.000 0.328 19 R C 0.167 176.464 176.300 -0.005 0.000 0.969 19 R CA 0.231 56.276 56.100 -0.092 0.000 0.832 19 R CB 1.432 31.724 30.300 -0.013 0.000 1.139 19 R HN 1.071 nan 8.270 nan 0.000 0.457 20 A N 4.408 127.173 122.820 -0.092 0.000 1.873 20 A HA 0.050 4.370 4.320 0.001 0.000 0.215 20 A C 0.988 178.595 177.584 0.037 0.000 1.186 20 A CA 1.267 53.330 52.037 0.042 0.000 0.616 20 A CB -0.340 18.670 19.000 0.017 0.000 0.823 20 A HN 0.772 nan 8.150 nan 0.000 0.442 21 A N 0.200 123.021 122.820 0.003 0.000 2.386 21 A HA 0.530 4.851 4.320 0.001 0.000 0.248 21 A C 0.297 177.896 177.584 0.026 0.000 1.082 21 A CA -0.369 51.674 52.037 0.009 0.000 0.789 21 A CB 0.207 19.201 19.000 -0.010 0.000 1.025 21 A HN 0.413 nan 8.150 nan 0.000 0.490 22 R N 0.741 121.260 120.500 0.031 0.000 2.589 22 R HA 0.581 4.922 4.340 0.001 0.000 0.293 22 R C -1.152 175.173 176.300 0.042 0.000 0.963 22 R CA -0.444 55.683 56.100 0.044 0.000 0.905 22 R CB 1.343 31.674 30.300 0.053 0.000 1.144 22 R HN 0.675 nan 8.270 nan 0.000 0.459 23 I N 3.435 124.035 120.570 0.050 0.000 2.377 23 I HA 0.431 4.602 4.170 0.001 0.000 0.293 23 I C 0.149 176.306 176.117 0.067 0.000 0.987 23 I CA -0.587 60.744 61.300 0.052 0.000 1.185 23 I CB 1.498 39.527 38.000 0.048 0.000 1.341 23 I HN 0.296 nan 8.210 nan 0.000 0.455 24 I N 5.049 125.664 120.570 0.075 0.000 2.404 24 I HA 0.439 4.610 4.170 0.001 0.000 0.293 24 I C -0.827 175.349 176.117 0.097 0.000 0.992 24 I CA -0.473 60.890 61.300 0.105 0.000 1.149 24 I CB 1.697 39.782 38.000 0.142 0.000 1.315 24 I HN 0.514 nan 8.210 nan 0.000 0.446 25 C N 3.430 122.791 119.300 0.101 0.000 2.408 25 C HA 0.495 4.956 4.460 0.001 0.000 0.321 25 C C 0.456 175.509 174.990 0.106 0.000 1.245 25 C CA -0.578 58.494 59.018 0.090 0.000 1.523 25 C CB 1.489 29.272 27.740 0.072 0.000 2.178 25 C HN 0.697 nan 8.230 nan 0.000 0.488 26 T N 4.581 119.199 114.554 0.106 0.000 2.817 26 T HA 0.408 4.759 4.350 0.001 0.000 0.293 26 T C 0.037 174.804 174.700 0.112 0.000 0.964 26 T CA -0.163 62.012 62.100 0.124 0.000 1.085 26 T CB 0.288 69.229 68.868 0.123 0.000 0.921 26 T HN 0.382 nan 8.240 nan 0.000 0.502 27 I N 3.423 124.076 120.570 0.139 0.000 2.312 27 I HA 0.548 4.719 4.170 0.001 0.000 0.290 27 I C 0.840 177.066 176.117 0.181 0.000 1.008 27 I CA -0.233 61.148 61.300 0.134 0.000 1.226 27 I CB 0.496 38.568 38.000 0.121 0.000 1.371 27 I HN 0.791 nan 8.210 nan 0.000 0.468 28 G N 6.975 115.860 108.800 0.142 0.000 3.222 28 G HA2 0.548 4.509 3.960 0.001 0.000 0.263 28 G HA3 0.548 4.509 3.960 0.001 0.000 0.263 28 G C -2.406 172.583 174.900 0.149 0.000 1.312 28 G CA -0.622 44.571 45.100 0.154 0.000 0.934 28 G HN 0.251 nan 8.290 nan 0.000 0.577 29 P HA -0.015 nan 4.420 nan 0.000 0.216 29 P C 2.056 179.386 177.300 0.050 0.000 1.150 29 P CA 1.551 64.707 63.100 0.093 0.000 0.837 29 P CB 0.153 31.873 31.700 0.034 0.000 0.786 30 S N -1.154 114.563 115.700 0.028 0.000 2.419 30 S HA -0.082 4.389 4.470 0.001 0.000 0.233 30 S C 1.452 176.063 174.600 0.019 0.000 1.016 30 S CA 1.868 60.074 58.200 0.011 0.000 0.974 30 S CB -0.923 62.274 63.200 -0.005 0.000 0.786 30 S HN 0.375 nan 8.310 nan 0.000 0.492 31 T N -1.628 112.948 114.554 0.035 0.000 3.091 31 T HA 0.300 4.651 4.350 0.001 0.000 0.277 31 T C 1.107 175.823 174.700 0.026 0.000 0.996 31 T CA -0.359 61.761 62.100 0.032 0.000 0.897 31 T CB 0.230 69.122 68.868 0.040 0.000 1.109 31 T HN 0.177 nan 8.240 nan 0.000 0.534 32 Q N 2.241 122.054 119.800 0.020 0.000 2.167 32 Q HA -0.002 4.339 4.340 0.001 0.000 0.202 32 Q C 1.177 177.158 176.000 -0.031 0.000 0.970 32 Q CA 0.802 56.592 55.803 -0.022 0.000 0.855 32 Q CB 0.021 28.716 28.738 -0.071 0.000 0.911 32 Q HN 0.669 nan 8.270 nan 0.000 0.438 33 S N -1.082 114.610 115.700 -0.015 0.000 2.572 33 S HA 0.037 4.508 4.470 0.001 0.000 0.279 33 S C 1.239 175.835 174.600 -0.008 0.000 1.341 33 S CA -0.510 57.681 58.200 -0.014 0.000 1.043 33 S CB 1.485 64.681 63.200 -0.006 0.000 0.887 33 S HN 0.113 nan 8.310 nan 0.000 0.516 34 V N 2.250 122.158 119.914 -0.009 0.000 2.407 34 V HA -0.117 4.004 4.120 0.001 0.000 0.248 34 V C 2.787 178.882 176.094 0.002 0.000 1.055 34 V CA 2.376 64.673 62.300 -0.004 0.000 1.049 34 V CB -1.159 30.660 31.823 -0.006 0.000 0.662 34 V HN 0.957 nan 8.190 nan 0.000 0.455 35 E N 0.318 120.519 120.200 0.002 0.000 2.077 35 E HA -0.150 4.201 4.350 0.001 0.000 0.193 35 E C 2.218 178.825 176.600 0.010 0.000 0.989 35 E CA 1.505 57.909 56.400 0.006 0.000 0.800 35 E CB -0.529 29.174 29.700 0.005 0.000 0.746 35 E HN 0.547 nan 8.360 nan 0.000 0.452 36 A N 0.184 123.010 122.820 0.010 0.000 1.902 36 A HA -0.140 4.181 4.320 0.001 0.000 0.217 36 A C 2.262 179.858 177.584 0.019 0.000 1.181 36 A CA 1.246 53.292 52.037 0.015 0.000 0.623 36 A CB -0.683 18.325 19.000 0.013 0.000 0.818 36 A HN 0.295 nan 8.150 nan 0.000 0.443 37 L N -1.181 120.052 121.223 0.016 0.000 2.083 37 L HA -0.186 4.155 4.340 0.001 0.000 0.209 37 L C 2.594 179.477 176.870 0.022 0.000 1.083 37 L CA 1.712 56.565 54.840 0.020 0.000 0.752 37 L CB -0.354 41.713 42.059 0.015 0.000 0.899 37 L HN 0.323 nan 8.230 nan 0.000 0.433 38 K N -0.025 120.386 120.400 0.018 0.000 2.097 38 K HA -0.115 4.206 4.320 0.001 0.000 0.206 38 K C 2.055 178.669 176.600 0.024 0.000 1.049 38 K CA 1.274 57.573 56.287 0.020 0.000 0.933 38 K CB -0.423 32.086 32.500 0.015 0.000 0.717 38 K HN 0.348 nan 8.250 nan 0.000 0.442 39 G N 0.507 109.321 108.800 0.025 0.000 2.418 39 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 39 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 39 G C 1.299 176.219 174.900 0.034 0.000 1.158 39 G CA 0.514 45.631 45.100 0.029 0.000 0.771 39 G HN 0.092 nan 8.290 nan 0.000 0.545 40 L N 0.470 121.714 121.223 0.035 0.000 2.046 40 L HA 0.107 4.448 4.340 0.001 0.000 0.208 40 L C 2.790 179.684 176.870 0.041 0.000 1.077 40 L CA 1.084 55.949 54.840 0.040 0.000 0.747 40 L CB -0.520 41.563 42.059 0.041 0.000 0.896 40 L HN 0.205 nan 8.230 nan 0.000 0.432 41 I N -1.253 119.340 120.570 0.038 0.000 2.226 41 I HA -0.332 3.839 4.170 0.001 0.000 0.245 41 I C 2.452 178.593 176.117 0.041 0.000 1.100 41 I CA 1.142 62.466 61.300 0.040 0.000 1.374 41 I CB -0.203 37.818 38.000 0.035 0.000 1.057 41 I HN 0.368 nan 8.210 nan 0.000 0.413 42 Q N -0.238 119.583 119.800 0.036 0.000 2.167 42 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 42 Q C 2.304 178.325 176.000 0.035 0.000 0.970 42 Q CA 1.498 57.321 55.803 0.035 0.000 0.855 42 Q CB -0.084 28.671 28.738 0.029 0.000 0.911 42 Q HN 0.407 nan 8.270 nan 0.000 0.438 43 S N -1.058 114.665 115.700 0.037 0.000 2.453 43 S HA 0.031 4.502 4.470 0.001 0.000 0.231 43 S C 1.168 175.792 174.600 0.040 0.000 1.005 43 S CA 0.910 59.133 58.200 0.038 0.000 0.949 43 S CB 0.396 63.623 63.200 0.044 0.000 0.774 43 S HN 0.656 nan 8.310 nan 0.000 0.510 44 G N 1.074 109.900 108.800 0.044 0.000 2.174 44 G HA2 -0.156 3.805 3.960 0.001 0.000 0.140 44 G HA3 -0.156 3.805 3.960 0.001 0.000 0.140 44 G C -0.046 174.885 174.900 0.052 0.000 1.031 44 G CA -0.201 44.928 45.100 0.048 0.000 0.728 44 G HN 0.408 nan 8.290 nan 0.000 0.496 45 M N 1.350 120.981 119.600 0.052 0.000 2.188 45 M HA 0.599 5.080 4.480 0.001 0.000 0.354 45 M C 0.940 177.274 176.300 0.056 0.000 1.342 45 M CA 0.427 55.760 55.300 0.055 0.000 1.117 45 M CB 0.996 33.629 32.600 0.053 0.000 1.670 45 M HN -0.031 nan 8.290 nan 0.000 0.466 46 S N 3.315 119.052 115.700 0.061 0.000 2.506 46 S HA 0.231 4.702 4.470 0.001 0.000 0.219 46 S C -0.046 174.589 174.600 0.059 0.000 1.031 46 S CA -0.316 57.920 58.200 0.060 0.000 0.911 46 S CB 0.495 63.734 63.200 0.064 0.000 0.812 46 S HN 0.642 nan 8.310 nan 0.000 0.497 47 V N 1.626 121.582 119.914 0.070 0.000 2.638 47 V HA 0.779 4.900 4.120 0.001 0.000 0.306 47 V C -0.666 175.472 176.094 0.074 0.000 1.052 47 V CA -1.129 61.215 62.300 0.073 0.000 0.885 47 V CB 1.458 33.350 31.823 0.116 0.000 0.999 47 V HN 0.259 nan 8.190 nan 0.000 0.424 48 A N 4.588 127.438 122.820 0.050 0.000 2.276 48 A HA 0.802 5.123 4.320 0.001 0.000 0.316 48 A C -0.139 177.472 177.584 0.045 0.000 1.229 48 A CA -0.618 51.453 52.037 0.057 0.000 0.851 48 A CB 0.709 19.738 19.000 0.048 0.000 1.165 48 A HN 0.867 nan 8.150 nan 0.000 0.513 49 R N 3.290 123.843 120.500 0.087 0.000 2.338 49 R HA 0.635 4.976 4.340 0.001 0.000 0.317 49 R C -1.060 175.315 176.300 0.125 0.000 0.968 49 R CA -0.385 55.767 56.100 0.086 0.000 0.849 49 R CB 0.752 31.178 30.300 0.210 0.000 1.128 49 R HN 0.783 nan 8.270 nan 0.000 0.448 50 M N 3.544 123.207 119.600 0.105 0.000 2.205 50 M HA 0.254 4.735 4.480 0.001 0.000 0.344 50 M C -0.411 175.987 176.300 0.164 0.000 1.085 50 M CA -0.855 54.542 55.300 0.163 0.000 1.001 50 M CB 1.672 34.357 32.600 0.142 0.000 1.626 50 M HN 0.410 nan 8.290 nan 0.000 0.442 51 N N 2.148 120.991 118.700 0.239 0.000 2.426 51 N HA 0.260 5.000 4.740 0.001 0.000 0.257 51 N C -0.573 175.088 175.510 0.251 0.000 1.002 51 N CA -0.249 52.964 53.050 0.271 0.000 0.942 51 N CB 0.568 39.253 38.487 0.330 0.000 1.112 51 N HN 0.507 nan 8.380 nan 0.000 0.499 52 F N 1.210 121.137 119.950 -0.039 0.000 2.811 52 F HA 0.128 4.656 4.527 0.001 0.000 0.301 52 F C 2.068 177.879 175.800 0.018 0.000 1.151 52 F CA 0.162 58.156 58.000 -0.010 0.000 1.412 52 F CB 0.076 39.038 39.000 -0.063 0.000 1.113 52 F HN 0.459 nan 8.300 nan 0.000 0.579 53 S N -1.661 114.064 115.700 0.041 0.000 2.481 53 S HA -0.054 4.417 4.470 0.001 0.000 0.231 53 S C 0.146 174.479 174.600 -0.446 0.000 0.996 53 S CA 0.685 58.738 58.200 -0.246 0.000 0.942 53 S CB -0.402 62.549 63.200 -0.415 0.000 0.768 53 S HN 0.392 nan 8.310 nan 0.000 0.520 54 H N -1.144 117.970 119.070 0.073 0.000 2.797 54 H HA 0.608 5.165 4.556 0.001 0.000 0.372 54 H C 0.667 175.946 175.328 -0.082 0.000 1.168 54 H CA -0.084 55.950 56.048 -0.023 0.000 1.163 54 H CB 1.369 31.110 29.762 -0.035 0.000 1.778 54 H HN 0.218 nan 8.280 nan 0.000 0.551 55 G N 0.626 109.322 108.800 -0.173 0.000 2.642 55 G HA2 0.054 4.015 3.960 0.001 0.000 0.231 55 G HA3 0.054 4.015 3.960 0.001 0.000 0.231 55 G C -0.490 174.259 174.900 -0.250 0.000 1.338 55 G CA -0.216 44.622 45.100 -0.437 0.000 0.883 55 G HN 1.277 nan 8.290 nan 0.000 0.570 56 S N -3.297 112.247 115.700 -0.260 0.000 2.672 56 S HA 0.647 5.118 4.470 0.001 0.000 0.271 56 S C 0.524 175.081 174.600 -0.071 0.000 1.171 56 S CA 0.322 58.446 58.200 -0.127 0.000 0.817 56 S CB 1.248 64.386 63.200 -0.103 0.000 1.150 56 S HN 0.931 nan 8.310 nan 0.000 0.478 57 H N 0.172 119.086 119.070 -0.260 0.000 2.387 57 H HA -0.039 4.518 4.556 0.002 0.000 0.299 57 H C 1.983 177.213 175.328 -0.164 0.000 1.090 57 H CA 1.622 57.399 56.048 -0.451 0.000 1.332 57 H CB 0.149 29.554 29.762 -0.595 0.000 1.386 57 H HN 0.769 nan 8.280 nan 0.000 0.516 58 E N 0.580 120.815 120.200 0.058 0.000 2.051 58 E HA -0.218 4.133 4.350 0.001 0.000 0.192 58 E C 1.937 178.564 176.600 0.044 0.000 0.991 58 E CA 0.932 57.373 56.400 0.069 0.000 0.799 58 E CB -0.078 29.649 29.700 0.045 0.000 0.748 58 E HN 0.456 nan 8.360 nan 0.000 0.449 59 Y N 0.750 120.963 120.300 -0.145 0.000 2.145 59 Y HA -0.247 4.304 4.550 0.001 0.000 0.286 59 Y C 2.286 178.066 175.900 -0.200 0.000 1.145 59 Y CA 2.066 60.035 58.100 -0.218 0.000 1.148 59 Y CB -0.187 38.048 38.460 -0.374 0.000 0.981 59 Y HN 0.198 nan 8.280 nan 0.000 0.507 60 H N -0.696 118.392 119.070 0.030 0.000 2.457 60 H HA -0.138 4.419 4.556 0.001 0.000 0.294 60 H C 2.060 177.444 175.328 0.092 0.000 1.064 60 H CA 1.584 57.639 56.048 0.011 0.000 1.330 60 H CB -0.278 29.420 29.762 -0.106 0.000 1.395 60 H HN 0.402 nan 8.280 nan 0.000 0.541 61 Q N 0.716 120.665 119.800 0.248 0.000 2.084 61 Q HA -0.094 4.247 4.340 0.001 0.000 0.202 61 Q C 2.074 178.116 176.000 0.069 0.000 0.978 61 Q CA 1.965 57.909 55.803 0.236 0.000 0.844 61 Q CB -0.223 28.676 28.738 0.269 0.000 0.898 61 Q HN 0.299 nan 8.270 nan 0.000 0.426 62 T N -0.416 114.116 114.554 -0.036 0.000 2.746 62 T HA -0.137 4.214 4.350 0.001 0.000 0.267 62 T C 1.716 176.354 174.700 -0.104 0.000 1.039 62 T CA 1.701 63.738 62.100 -0.104 0.000 1.142 62 T CB -0.577 68.159 68.868 -0.218 0.000 0.866 62 T HN 0.374 nan 8.240 nan 0.000 0.444 63 T N 1.938 116.418 114.554 -0.122 0.000 2.746 63 T HA 0.039 4.390 4.350 0.001 0.000 0.267 63 T C 1.968 176.674 174.700 0.010 0.000 1.039 63 T CA 0.854 62.921 62.100 -0.055 0.000 1.142 63 T CB -0.392 68.484 68.868 0.012 0.000 0.866 63 T HN 0.321 nan 8.240 nan 0.000 0.444 64 I N 1.514 122.112 120.570 0.047 0.000 2.179 64 I HA -0.200 3.971 4.170 0.001 0.000 0.242 64 I C 2.340 178.461 176.117 0.006 0.000 1.088 64 I CA 0.988 62.310 61.300 0.037 0.000 1.357 64 I CB -0.324 37.706 38.000 0.051 0.000 1.051 64 I HN 0.175 nan 8.210 nan 0.000 0.409 65 N N 1.036 119.737 118.700 0.002 0.000 2.142 65 N HA -0.151 4.590 4.740 0.001 0.000 0.186 65 N C 1.552 177.054 175.510 -0.014 0.000 1.023 65 N CA 1.256 54.300 53.050 -0.009 0.000 0.852 65 N CB -0.691 37.791 38.487 -0.009 0.000 0.998 65 N HN 0.316 nan 8.380 nan 0.000 0.424 66 N N 0.420 119.108 118.700 -0.020 0.000 2.166 66 N HA -0.066 4.675 4.740 0.001 0.000 0.186 66 N C 1.786 177.291 175.510 -0.009 0.000 1.019 66 N CA 0.433 53.472 53.050 -0.019 0.000 0.856 66 N CB -0.500 37.968 38.487 -0.032 0.000 0.993 66 N HN 0.041 nan 8.380 nan 0.000 0.426 67 V N 0.990 120.902 119.914 -0.004 0.000 2.307 67 V HA -0.171 3.950 4.120 0.001 0.000 0.245 67 V C 2.273 178.364 176.094 -0.004 0.000 1.045 67 V CA 1.501 63.803 62.300 0.002 0.000 1.024 67 V CB -0.352 31.476 31.823 0.009 0.000 0.651 67 V HN 0.220 nan 8.190 nan 0.000 0.449 68 R N -0.442 120.052 120.500 -0.011 0.000 2.081 68 R HA -0.197 4.144 4.340 0.001 0.000 0.235 68 R C 2.464 178.755 176.300 -0.014 0.000 1.131 68 R CA 1.739 57.829 56.100 -0.017 0.000 0.960 68 R CB -0.348 29.937 30.300 -0.024 0.000 0.856 68 R HN 0.574 nan 8.270 nan 0.000 0.436 69 Q N 0.073 119.866 119.800 -0.012 0.000 2.084 69 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 69 Q C 2.000 177.997 176.000 -0.005 0.000 0.978 69 Q CA 1.640 57.438 55.803 -0.009 0.000 0.844 69 Q CB -0.045 28.687 28.738 -0.010 0.000 0.898 69 Q HN 0.389 nan 8.270 nan 0.000 0.426 70 A N 0.688 123.507 122.820 -0.002 0.000 1.898 70 A HA -0.094 4.227 4.320 0.001 0.000 0.216 70 A C 2.255 179.842 177.584 0.006 0.000 1.181 70 A CA 1.617 53.656 52.037 0.003 0.000 0.620 70 A CB -0.873 18.131 19.000 0.006 0.000 0.819 70 A HN 0.537 nan 8.150 nan 0.000 0.442 71 A N -0.129 122.693 122.820 0.004 0.000 1.902 71 A HA 0.175 4.495 4.320 0.001 0.000 0.217 71 A C 2.496 180.082 177.584 0.003 0.000 1.181 71 A CA 2.036 54.076 52.037 0.005 0.000 0.623 71 A CB -0.985 18.014 19.000 -0.000 0.000 0.818 71 A HN 1.037 nan 8.150 nan 0.000 0.443 72 A N -0.334 122.484 122.820 -0.004 0.000 1.902 72 A HA -0.173 4.148 4.320 0.001 0.000 0.217 72 A C 1.904 179.489 177.584 0.002 0.000 1.181 72 A CA 1.700 53.734 52.037 -0.005 0.000 0.623 72 A CB -0.522 18.472 19.000 -0.011 0.000 0.818 72 A HN 0.616 nan 8.150 nan 0.000 0.443 73 E N -0.742 119.460 120.200 0.003 0.000 2.204 73 E HA -0.046 4.305 4.350 0.001 0.000 0.195 73 E C 1.247 177.854 176.600 0.011 0.000 0.990 73 E CA 0.721 57.124 56.400 0.006 0.000 0.821 73 E CB -0.090 29.613 29.700 0.005 0.000 0.750 73 E HN 0.599 nan 8.360 nan 0.000 0.477 74 L N -0.831 120.401 121.223 0.014 0.000 2.693 74 L HA 0.237 4.578 4.340 0.001 0.000 0.235 74 L C 0.871 177.757 176.870 0.027 0.000 1.127 74 L CA -0.007 54.846 54.840 0.021 0.000 0.914 74 L CB 0.571 42.644 42.059 0.023 0.000 1.193 74 L HN 0.169 nan 8.230 nan 0.000 0.502 75 G N 1.690 110.504 108.800 0.024 0.000 2.338 75 G HA2 -0.223 3.737 3.960 0.001 0.000 0.296 75 G HA3 -0.223 3.737 3.960 0.001 0.000 0.296 75 G C -0.045 174.880 174.900 0.041 0.000 1.040 75 G CA 0.509 45.628 45.100 0.031 0.000 1.004 75 G HN 0.285 nan 8.290 nan 0.000 0.509 76 V N -3.846 116.087 119.914 0.031 0.000 3.130 76 V HA 0.788 4.908 4.120 0.001 0.000 0.310 76 V C -0.336 175.768 176.094 0.017 0.000 1.158 76 V CA -1.959 60.363 62.300 0.038 0.000 1.029 76 V CB 2.248 34.099 31.823 0.046 0.000 1.057 76 V HN 0.160 nan 8.190 nan 0.000 0.436 77 N N 2.141 120.851 118.700 0.016 0.000 2.424 77 N HA 0.596 5.337 4.740 0.001 0.000 0.271 77 N C -1.380 174.134 175.510 0.007 0.000 0.985 77 N CA -0.326 52.721 53.050 -0.005 0.000 0.921 77 N CB 1.994 40.470 38.487 -0.019 0.000 1.149 77 N HN 0.574 nan 8.380 nan 0.000 0.492 78 I N 1.580 122.150 120.570 0.000 0.000 2.406 78 I HA 0.318 4.489 4.170 0.001 0.000 0.290 78 I C 0.572 176.689 176.117 -0.000 0.000 0.999 78 I CA -1.069 60.237 61.300 0.010 0.000 1.124 78 I CB 1.087 39.096 38.000 0.014 0.000 1.289 78 I HN 0.378 nan 8.210 nan 0.000 0.441 79 A N 7.587 130.411 122.820 0.006 0.000 2.445 79 A HA 0.552 4.873 4.320 0.001 0.000 0.242 79 A C -0.086 177.486 177.584 -0.019 0.000 1.075 79 A CA 0.006 52.039 52.037 -0.007 0.000 0.777 79 A CB 0.206 19.210 19.000 0.007 0.000 1.013 79 A HN 0.648 nan 8.150 nan 0.000 0.493 80 I N 1.429 121.971 120.570 -0.047 0.000 2.378 80 I HA 0.515 4.686 4.170 0.001 0.000 0.291 80 I C 0.400 176.435 176.117 -0.137 0.000 0.992 80 I CA -0.132 61.130 61.300 -0.063 0.000 1.154 80 I CB 1.845 39.817 38.000 -0.046 0.000 1.315 80 I HN 0.704 nan 8.210 nan 0.000 0.448 81 A N 7.359 130.055 122.820 -0.207 0.000 2.342 81 A HA 0.709 5.030 4.320 0.001 0.000 0.323 81 A C -1.080 176.279 177.584 -0.375 0.000 1.125 81 A CA -0.525 51.240 52.037 -0.453 0.000 0.785 81 A CB 1.318 19.771 19.000 -0.912 0.000 1.221 81 A HN 0.752 nan 8.150 nan 0.000 0.463 82 L N 2.473 123.468 121.223 -0.381 0.000 2.280 82 L HA 0.406 4.747 4.340 0.001 0.000 0.287 82 L C -0.929 175.780 176.870 -0.268 0.000 1.023 82 L CA -0.524 54.131 54.840 -0.309 0.000 0.819 82 L CB 0.965 42.792 42.059 -0.388 0.000 1.212 82 L HN 0.685 nan 8.230 nan 0.000 0.420 83 D N 4.286 124.624 120.400 -0.103 0.000 2.456 83 D HA 0.125 4.766 4.640 0.001 0.000 0.219 83 D C 0.009 176.362 176.300 0.089 0.000 1.126 83 D CA -0.152 53.896 54.000 0.080 0.000 0.890 83 D CB 1.091 42.020 40.800 0.215 0.000 1.025 83 D HN 0.615 nan 8.370 nan 0.000 0.511 84 T N 0.596 115.170 114.554 0.032 0.000 2.900 84 T HA 0.045 4.396 4.350 0.001 0.000 0.307 84 T C 1.322 176.081 174.700 0.098 0.000 1.065 84 T CA -0.378 61.746 62.100 0.040 0.000 1.105 84 T CB 1.952 70.823 68.868 0.005 0.000 0.979 84 T HN 0.356 nan 8.240 nan 0.000 0.544 85 K N 1.934 122.401 120.400 0.111 0.000 2.025 85 K HA 0.158 4.478 4.320 0.001 0.000 0.207 85 K C 1.181 177.794 176.600 0.022 0.000 1.049 85 K CA 1.098 57.414 56.287 0.049 0.000 0.933 85 K CB -1.006 31.519 32.500 0.042 0.000 0.714 85 K HN 1.191 nan 8.250 nan 0.000 0.438 86 G N 0.860 109.684 108.800 0.040 0.000 2.829 86 G HA2 -0.180 3.781 3.960 0.001 0.000 0.628 86 G HA3 -0.180 3.781 3.960 0.001 0.000 0.628 86 G C -2.706 172.202 174.900 0.012 0.000 1.412 86 G CA -0.465 44.661 45.100 0.044 0.000 0.864 86 G HN 0.219 nan 8.290 nan 0.000 0.544 87 P HA 0.316 nan 4.420 nan 0.000 0.271 87 P C -0.287 176.947 177.300 -0.111 0.000 1.216 87 P CA 0.521 63.621 63.100 0.001 0.000 0.771 87 P CB 0.855 32.600 31.700 0.075 0.000 0.864 88 E N 1.932 122.072 120.200 -0.101 0.000 2.288 88 E HA 0.508 4.859 4.350 0.001 0.000 0.268 88 E C -0.442 176.092 176.600 -0.109 0.000 0.885 88 E CA -0.881 55.434 56.400 -0.141 0.000 0.767 88 E CB 1.932 31.578 29.700 -0.090 0.000 1.220 88 E HN 0.375 nan 8.360 nan 0.000 0.427 89 I N 2.617 123.110 120.570 -0.130 0.000 2.336 89 I HA 0.385 4.555 4.170 0.001 0.000 0.292 89 I C 0.076 176.183 176.117 -0.017 0.000 0.991 89 I CA -0.464 60.794 61.300 -0.071 0.000 1.227 89 I CB 0.791 38.735 38.000 -0.092 0.000 1.366 89 I HN 0.225 nan 8.210 nan 0.000 0.466 90 R N 3.138 123.645 120.500 0.012 0.000 2.795 90 R HA 0.469 4.810 4.340 0.001 0.000 0.275 90 R C -0.313 176.024 176.300 0.061 0.000 0.981 90 R CA -0.752 55.376 56.100 0.046 0.000 0.917 90 R CB 2.544 32.873 30.300 0.047 0.000 1.202 90 R HN 0.725 nan 8.270 nan 0.000 0.469 91 T N -1.126 113.500 114.554 0.120 0.000 2.766 91 T HA 0.291 4.642 4.350 0.001 0.000 0.295 91 T C 0.920 175.691 174.700 0.119 0.000 1.024 91 T CA -0.326 61.875 62.100 0.168 0.000 1.018 91 T CB 1.033 70.060 68.868 0.265 0.000 1.002 91 T HN 0.614 nan 8.240 nan 0.000 0.532 92 G N -0.013 108.879 108.800 0.154 0.000 2.504 92 G HA2 0.440 4.401 3.960 0.001 0.000 0.257 92 G HA3 0.440 4.401 3.960 0.001 0.000 0.257 92 G C -0.382 174.364 174.900 -0.256 0.000 1.451 92 G CA -0.888 44.276 45.100 0.106 0.000 1.059 92 G HN 0.875 nan 8.290 nan 0.000 0.550 93 Q N -0.806 118.847 119.800 -0.245 0.000 2.260 93 Q HA 0.426 4.767 4.340 0.001 0.000 0.242 93 Q C -1.344 174.348 176.000 -0.513 0.000 0.932 93 Q CA 0.014 55.647 55.803 -0.285 0.000 0.891 93 Q CB 1.596 30.275 28.738 -0.098 0.000 1.222 93 Q HN 0.340 nan 8.270 nan 0.000 0.453 94 F N -0.302 119.668 119.950 0.033 0.000 2.458 94 F HA 0.301 4.829 4.527 0.001 0.000 0.330 94 F C 0.214 176.029 175.800 0.024 0.000 1.082 94 F CA -1.195 56.820 58.000 0.026 0.000 0.995 94 F CB 0.958 39.934 39.000 -0.039 0.000 1.170 94 F HN 0.173 nan 8.300 nan 0.000 0.478 95 V N 2.051 122.096 119.914 0.218 0.000 2.673 95 V HA 0.299 4.420 4.120 0.001 0.000 0.303 95 V C 0.969 177.127 176.094 0.107 0.000 1.046 95 V CA 1.051 63.427 62.300 0.126 0.000 1.126 95 V CB 0.367 32.255 31.823 0.109 0.000 0.934 95 V HN 1.072 nan 8.190 nan 0.000 0.487 96 G N 3.580 112.421 108.800 0.068 0.000 2.155 96 G HA2 -0.052 3.909 3.960 0.001 0.000 0.257 96 G HA3 -0.052 3.909 3.960 0.001 0.000 0.257 96 G C 1.192 176.122 174.900 0.050 0.000 0.983 96 G CA 0.691 45.819 45.100 0.047 0.000 0.676 96 G HN 2.263 nan 8.290 nan 0.000 0.528 97 G N -1.116 107.730 108.800 0.077 0.000 2.284 97 G HA2 -0.119 3.842 3.960 0.001 0.000 0.261 97 G HA3 -0.119 3.842 3.960 0.001 0.000 0.261 97 G C 0.151 175.118 174.900 0.112 0.000 0.997 97 G CA 1.350 46.499 45.100 0.081 0.000 0.621 97 G HN 1.741 nan 8.290 nan 0.000 0.534 98 D N -0.717 119.733 120.400 0.084 0.000 2.579 98 D HA 0.808 5.449 4.640 0.001 0.000 0.257 98 D C -0.565 175.643 176.300 -0.154 0.000 1.176 98 D CA 0.547 54.529 54.000 -0.030 0.000 0.914 98 D CB 1.508 42.271 40.800 -0.062 0.000 1.431 98 D HN 1.173 nan 8.370 nan 0.000 0.454 99 A N 1.008 123.575 122.820 -0.422 0.000 2.480 99 A HA 0.507 4.828 4.320 0.001 0.000 0.289 99 A C -1.556 175.772 177.584 -0.426 0.000 1.044 99 A CA -0.625 51.117 52.037 -0.492 0.000 0.761 99 A CB 1.323 19.781 19.000 -0.903 0.000 1.289 99 A HN 0.330 nan 8.150 nan 0.000 0.401 100 V N 4.623 124.387 119.914 -0.248 0.000 2.322 100 V HA 0.233 4.354 4.120 0.001 0.000 0.258 100 V C -0.041 175.968 176.094 -0.141 0.000 1.074 100 V CA -0.135 62.056 62.300 -0.182 0.000 0.909 100 V CB 0.477 32.233 31.823 -0.112 0.000 1.090 100 V HN 0.819 nan 8.190 nan 0.000 0.486 101 M N 4.724 124.233 119.600 -0.152 0.000 2.108 101 M HA 0.394 4.875 4.480 0.001 0.000 0.347 101 M C 0.276 176.557 176.300 -0.032 0.000 1.326 101 M CA 0.220 55.471 55.300 -0.081 0.000 1.126 101 M CB 0.383 32.937 32.600 -0.076 0.000 1.606 101 M HN 0.579 nan 8.290 nan 0.000 0.462 102 E N 2.229 122.420 120.200 -0.014 0.000 2.248 102 E HA 0.391 4.742 4.350 0.001 0.000 0.272 102 E C -0.188 176.416 176.600 0.007 0.000 1.008 102 E CA -0.895 55.503 56.400 -0.004 0.000 0.856 102 E CB 2.019 31.717 29.700 -0.004 0.000 1.120 102 E HN 0.458 nan 8.360 nan 0.000 0.397 103 R N 0.536 121.041 120.500 0.008 0.000 2.537 103 R HA 0.123 4.463 4.340 0.001 0.000 0.280 103 R C 0.764 177.069 176.300 0.010 0.000 1.058 103 R CA 1.332 57.438 56.100 0.011 0.000 1.057 103 R CB 0.046 30.351 30.300 0.007 0.000 0.973 103 R HN 0.856 nan 8.270 nan 0.000 0.438 104 G N 2.177 110.984 108.800 0.012 0.000 2.268 104 G HA2 -0.333 3.628 3.960 0.001 0.000 0.240 104 G HA3 -0.333 3.628 3.960 0.001 0.000 0.240 104 G C 0.180 175.082 174.900 0.004 0.000 1.010 104 G CA 0.120 45.225 45.100 0.008 0.000 0.618 104 G HN 0.972 nan 8.290 nan 0.000 0.516 105 A N 0.388 123.211 122.820 0.005 0.000 2.466 105 A HA 0.583 4.904 4.320 0.001 0.000 0.238 105 A C 0.697 178.272 177.584 -0.015 0.000 1.074 105 A CA 1.500 53.539 52.037 0.004 0.000 0.774 105 A CB 0.223 19.230 19.000 0.012 0.000 1.015 105 A HN 0.848 nan 8.150 nan 0.000 0.498 106 T N 1.198 115.735 114.554 -0.027 0.000 2.799 106 T HA 0.507 4.857 4.350 0.001 0.000 0.286 106 T C 0.069 174.701 174.700 -0.114 0.000 0.973 106 T CA 0.119 62.157 62.100 -0.102 0.000 1.035 106 T CB 0.169 68.972 68.868 -0.108 0.000 0.932 106 T HN 1.184 nan 8.240 nan 0.000 0.469 107 C N 2.547 121.716 119.300 -0.218 0.000 3.154 107 C HA 0.859 5.319 4.460 0.001 0.000 0.312 107 C C -1.748 172.969 174.990 -0.456 0.000 1.349 107 C CA -1.227 57.703 59.018 -0.147 0.000 1.518 107 C CB 0.321 28.122 27.740 0.102 0.000 1.934 107 C HN 0.804 nan 8.230 nan 0.000 0.462 108 Y N 0.878 121.151 120.300 -0.045 0.000 2.350 108 Y HA 0.592 5.143 4.550 0.002 0.000 0.338 108 Y C 0.299 176.007 175.900 -0.319 0.000 0.961 108 Y CA -0.689 57.322 58.100 -0.148 0.000 1.100 108 Y CB 2.064 40.442 38.460 -0.136 0.000 1.179 108 Y HN 0.826 nan 8.280 nan 0.000 0.454 109 V N 0.499 120.250 119.914 -0.272 0.000 2.417 109 V HA 0.836 4.957 4.120 0.001 0.000 0.291 109 V C -0.484 175.452 176.094 -0.263 0.000 1.024 109 V CA -0.274 61.733 62.300 -0.488 0.000 0.861 109 V CB 1.432 32.940 31.823 -0.524 0.000 0.985 109 V HN 0.772 nan 8.190 nan 0.000 0.436 110 T N 2.572 116.981 114.554 -0.242 0.000 2.907 110 T HA 0.570 4.921 4.350 0.001 0.000 0.292 110 T C 0.789 175.471 174.700 -0.031 0.000 1.043 110 T CA 0.320 62.349 62.100 -0.118 0.000 1.003 110 T CB 1.869 70.636 68.868 -0.168 0.000 1.084 110 T HN 1.162 nan 8.240 nan 0.000 0.483 111 T N 0.025 114.581 114.554 0.005 0.000 3.105 111 T HA 0.211 4.561 4.350 0.001 0.000 0.253 111 T C 0.367 175.244 174.700 0.295 0.000 1.047 111 T CA -0.370 61.769 62.100 0.066 0.000 0.944 111 T CB -0.151 68.697 68.868 -0.034 0.000 1.016 111 T HN 0.525 nan 8.240 nan 0.000 0.544 112 D N 3.710 124.265 120.400 0.259 0.000 2.412 112 D HA 0.094 4.735 4.640 0.001 0.000 0.257 112 D C -1.027 175.449 176.300 0.294 0.000 1.217 112 D CA -2.165 51.992 54.000 0.261 0.000 0.897 112 D CB 1.520 42.468 40.800 0.248 0.000 1.132 112 D HN 0.105 nan 8.370 nan 0.000 0.493 113 P HA -0.081 nan 4.420 nan 0.000 0.223 113 P C 1.088 178.264 177.300 -0.206 0.000 1.151 113 P CA 0.579 63.593 63.100 -0.143 0.000 0.787 113 P CB 0.078 31.757 31.700 -0.035 0.000 0.788 114 A N -0.349 122.434 122.820 -0.063 0.000 2.054 114 A HA -0.187 4.134 4.320 0.001 0.000 0.223 114 A C 1.637 179.005 177.584 -0.360 0.000 1.169 114 A CA 1.467 53.395 52.037 -0.181 0.000 0.655 114 A CB -1.820 17.087 19.000 -0.156 0.000 0.812 114 A HN 0.193 nan 8.150 nan 0.000 0.462 115 F N -1.153 118.704 119.950 -0.157 0.000 2.693 115 F HA 0.344 4.871 4.527 0.001 0.000 0.303 115 F C 2.193 177.881 175.800 -0.186 0.000 1.097 115 F CA 0.233 58.173 58.000 -0.099 0.000 1.330 115 F CB 0.073 39.094 39.000 0.036 0.000 1.067 115 F HN 0.230 nan 8.300 nan 0.000 0.565 116 A N 0.263 122.876 122.820 -0.346 0.000 2.015 116 A HA -0.174 4.147 4.320 0.001 0.000 0.219 116 A C 1.475 178.967 177.584 -0.153 0.000 1.163 116 A CA 1.932 53.721 52.037 -0.413 0.000 0.646 116 A CB -0.497 18.136 19.000 -0.613 0.000 0.806 116 A HN 0.391 nan 8.150 nan 0.000 0.448 117 D N -1.459 118.860 120.400 -0.135 0.000 2.538 117 D HA 0.077 4.718 4.640 0.001 0.000 0.231 117 D C 0.378 176.646 176.300 -0.054 0.000 1.229 117 D CA 0.043 53.990 54.000 -0.088 0.000 0.828 117 D CB -0.248 40.499 40.800 -0.088 0.000 1.035 117 D HN 0.541 nan 8.370 nan 0.000 0.495 118 K N -0.386 120.002 120.400 -0.020 0.000 3.147 118 K HA 0.382 4.703 4.320 0.001 0.000 0.190 118 K C 0.435 177.160 176.600 0.209 0.000 1.094 118 K CA -0.741 55.572 56.287 0.045 0.000 1.024 118 K CB 0.402 32.871 32.500 -0.052 0.000 0.700 118 K HN -0.008 nan 8.250 nan 0.000 0.424 119 G N 1.114 110.037 108.800 0.204 0.000 2.667 119 G HA2 0.402 4.363 3.960 0.001 0.000 0.250 119 G HA3 0.402 4.363 3.960 0.001 0.000 0.250 119 G C -0.148 175.024 174.900 0.453 0.000 1.212 119 G CA 0.353 45.678 45.100 0.375 0.000 0.874 119 G HN 0.420 nan 8.290 nan 0.000 0.561 120 T N -3.227 111.651 114.554 0.539 0.000 2.762 120 T HA 0.390 4.741 4.350 0.001 0.000 0.301 120 T C 1.084 175.986 174.700 0.337 0.000 1.299 120 T CA -0.158 62.166 62.100 0.375 0.000 1.005 120 T CB 1.580 70.597 68.868 0.248 0.000 1.377 120 T HN 0.637 nan 8.240 nan 0.000 0.504 121 K N 0.228 120.710 120.400 0.136 0.000 2.211 121 K HA -0.153 4.168 4.320 0.001 0.000 0.204 121 K C 0.927 177.661 176.600 0.224 0.000 1.047 121 K CA 1.947 58.287 56.287 0.087 0.000 0.935 121 K CB -0.385 32.113 32.500 -0.004 0.000 0.728 121 K HN 0.489 nan 8.250 nan 0.000 0.452 122 D N 0.931 121.474 120.400 0.238 0.000 2.123 122 D HA -0.058 4.583 4.640 0.001 0.000 0.200 122 D C 0.281 176.775 176.300 0.322 0.000 0.976 122 D CA 1.184 55.335 54.000 0.252 0.000 0.831 122 D CB 0.204 41.125 40.800 0.203 0.000 0.974 122 D HN 0.282 nan 8.370 nan 0.000 0.469 123 K N -0.308 120.298 120.400 0.343 0.000 2.571 123 K HA 0.318 4.639 4.320 0.001 0.000 0.252 123 K C -1.750 175.071 176.600 0.368 0.000 0.956 123 K CA -0.571 55.862 56.287 0.243 0.000 0.822 123 K CB 1.177 33.688 32.500 0.019 0.000 1.286 123 K HN -0.064 nan 8.250 nan 0.000 0.439 124 F N 0.928 120.980 119.950 0.169 0.000 2.715 124 F HA 0.542 5.070 4.527 0.001 0.000 0.318 124 F C -1.777 174.135 175.800 0.187 0.000 1.141 124 F CA -1.316 56.810 58.000 0.211 0.000 0.950 124 F CB 0.606 39.804 39.000 0.329 0.000 1.374 124 F HN 0.383 nan 8.300 nan 0.000 0.477 125 Y N 2.144 122.561 120.300 0.195 0.000 2.323 125 Y HA 0.741 5.292 4.550 0.002 0.000 0.331 125 Y C -1.045 174.934 175.900 0.131 0.000 1.092 125 Y CA -1.365 56.787 58.100 0.087 0.000 1.150 125 Y CB 1.053 39.588 38.460 0.125 0.000 1.200 125 Y HN 0.611 nan 8.280 nan 0.000 0.472 126 I N 5.729 126.048 120.570 -0.418 0.000 2.433 126 I HA 0.183 4.354 4.170 0.001 0.000 0.292 126 I C -0.221 175.410 176.117 -0.810 0.000 1.001 126 I CA -0.708 60.364 61.300 -0.381 0.000 1.119 126 I CB 1.771 39.687 38.000 -0.141 0.000 1.289 126 I HN 0.704 nan 8.210 nan 0.000 0.438 127 D N 4.830 124.887 120.400 -0.573 0.000 2.319 127 D HA -0.140 4.501 4.640 0.001 0.000 0.230 127 D C -0.074 176.187 176.300 -0.065 0.000 1.094 127 D CA 0.091 53.810 54.000 -0.468 0.000 0.856 127 D CB -0.079 40.703 40.800 -0.030 0.000 0.915 127 D HN 0.293 nan 8.370 nan 0.000 0.517 128 Y N 2.063 122.254 120.300 -0.182 0.000 2.518 128 Y HA 0.252 4.803 4.550 0.002 0.000 0.344 128 Y C 1.019 176.885 175.900 -0.057 0.000 0.982 128 Y CA -1.117 56.941 58.100 -0.070 0.000 1.234 128 Y CB 0.978 39.413 38.460 -0.042 0.000 1.114 128 Y HN -0.218 nan 8.280 nan 0.000 0.515 129 Q N 3.059 122.811 119.800 -0.079 0.000 2.291 129 Q HA -0.140 4.200 4.340 0.001 0.000 0.206 129 Q C 0.582 176.393 176.000 -0.315 0.000 0.976 129 Q CA 0.999 56.717 55.803 -0.142 0.000 0.875 129 Q CB 0.087 28.812 28.738 -0.022 0.000 0.927 129 Q HN 0.681 nan 8.270 nan 0.000 0.450 130 N N 0.549 118.849 118.700 -0.667 0.000 2.370 130 N HA -0.022 4.719 4.740 0.001 0.000 0.198 130 N C 1.402 176.461 175.510 -0.750 0.000 1.156 130 N CA -0.050 52.594 53.050 -0.676 0.000 0.839 130 N CB 0.071 38.205 38.487 -0.588 0.000 0.989 130 N HN 0.126 nan 8.380 nan 0.000 0.468 131 L N 0.695 121.500 121.223 -0.696 0.000 1.997 131 L HA -0.209 4.132 4.340 0.001 0.000 0.216 131 L C 1.960 178.754 176.870 -0.126 0.000 1.074 131 L CA 1.774 56.431 54.840 -0.304 0.000 0.763 131 L CB -0.871 41.110 42.059 -0.129 0.000 0.890 131 L HN 0.045 nan 8.230 nan 0.000 0.434 132 S N -0.755 114.891 115.700 -0.091 0.000 2.382 132 S HA -0.178 4.293 4.470 0.001 0.000 0.228 132 S C 1.809 176.428 174.600 0.032 0.000 1.027 132 S CA 1.440 59.666 58.200 0.043 0.000 0.991 132 S CB -0.261 62.959 63.200 0.034 0.000 0.823 132 S HN 0.490 nan 8.310 nan 0.000 0.469 133 K N 0.539 120.896 120.400 -0.071 0.000 2.211 133 K HA 0.051 4.372 4.320 0.001 0.000 0.203 133 K C 1.718 178.307 176.600 -0.019 0.000 1.050 133 K CA 0.824 57.072 56.287 -0.065 0.000 0.945 133 K CB -0.095 32.353 32.500 -0.087 0.000 0.732 133 K HN 0.184 nan 8.250 nan 0.000 0.451 134 V N 0.964 120.870 119.914 -0.014 0.000 2.992 134 V HA -0.010 4.111 4.120 0.001 0.000 0.250 134 V C 0.785 176.903 176.094 0.041 0.000 1.090 134 V CA 0.511 62.833 62.300 0.036 0.000 1.101 134 V CB 0.603 32.490 31.823 0.107 0.000 0.743 134 V HN -0.054 nan 8.190 nan 0.000 0.468 135 V N 0.659 120.600 119.914 0.044 0.000 2.713 135 V HA 0.475 4.596 4.120 0.001 0.000 0.307 135 V C 0.026 176.141 176.094 0.035 0.000 1.052 135 V CA -0.651 61.660 62.300 0.018 0.000 0.967 135 V CB 1.725 33.541 31.823 -0.011 0.000 1.019 135 V HN 0.360 nan 8.190 nan 0.000 0.459 136 R N 2.631 123.119 120.500 -0.021 0.000 2.888 136 R HA 0.499 4.840 4.340 0.001 0.000 0.266 136 R C -2.825 173.405 176.300 -0.117 0.000 1.020 136 R CA -2.123 53.964 56.100 -0.022 0.000 0.963 136 R CB 1.370 31.669 30.300 -0.001 0.000 1.197 136 R HN 0.389 nan 8.270 nan 0.000 0.481 137 P HA -0.077 nan 4.420 nan 0.000 0.260 137 P C 0.536 177.743 177.300 -0.155 0.000 1.172 137 P CA 1.400 64.409 63.100 -0.152 0.000 0.760 137 P CB 0.445 32.084 31.700 -0.101 0.000 0.773 138 G N 2.566 111.236 108.800 -0.218 0.000 2.349 138 G HA2 -0.217 3.744 3.960 0.001 0.000 0.213 138 G HA3 -0.217 3.744 3.960 0.001 0.000 0.213 138 G C 0.473 175.088 174.900 -0.474 0.000 1.044 138 G CA -0.464 44.465 45.100 -0.286 0.000 0.633 138 G HN 0.523 nan 8.290 nan 0.000 0.506 139 N N 0.604 119.104 118.700 -0.333 0.000 2.374 139 N HA 0.388 5.129 4.740 0.001 0.000 0.241 139 N C -0.458 174.803 175.510 -0.414 0.000 1.262 139 N CA 0.501 53.364 53.050 -0.312 0.000 0.880 139 N CB 0.052 38.447 38.487 -0.153 0.000 1.105 139 N HN 0.345 nan 8.380 nan 0.000 0.438 140 Y N 0.344 120.605 120.300 -0.065 0.000 2.420 140 Y HA 0.520 5.071 4.550 0.002 0.000 0.334 140 Y C 0.378 176.224 175.900 -0.089 0.000 1.094 140 Y CA -0.540 57.537 58.100 -0.038 0.000 1.126 140 Y CB 1.172 39.630 38.460 -0.003 0.000 1.217 140 Y HN 0.256 nan 8.280 nan 0.000 0.462 141 I N 3.885 124.567 120.570 0.187 0.000 2.439 141 I HA 0.217 4.388 4.170 0.001 0.000 0.283 141 I C -1.333 174.969 176.117 0.309 0.000 1.023 141 I CA -0.858 60.525 61.300 0.138 0.000 1.100 141 I CB 0.750 38.813 38.000 0.106 0.000 1.238 141 I HN 0.426 nan 8.210 nan 0.000 0.445 142 Y N 6.670 127.036 120.300 0.110 0.000 2.313 142 Y HA 0.560 5.111 4.550 0.001 0.000 0.332 142 Y C 0.256 176.214 175.900 0.097 0.000 1.071 142 Y CA -1.267 56.887 58.100 0.089 0.000 1.169 142 Y CB 1.022 39.517 38.460 0.057 0.000 1.192 142 Y HN 0.304 nan 8.280 nan 0.000 0.487 143 I N 2.553 123.275 120.570 0.254 0.000 2.582 143 I HA 0.201 4.372 4.170 0.001 0.000 0.292 143 I C -0.546 175.661 176.117 0.149 0.000 1.066 143 I CA -0.837 60.583 61.300 0.199 0.000 1.053 143 I CB 1.998 40.131 38.000 0.222 0.000 1.241 143 I HN 0.541 nan 8.210 nan 0.000 0.421 144 D N 4.786 125.265 120.400 0.132 0.000 2.767 144 D HA -0.180 4.461 4.640 0.001 0.000 0.239 144 D C -0.070 176.274 176.300 0.075 0.000 1.103 144 D CA 1.077 55.146 54.000 0.115 0.000 0.710 144 D CB -0.642 40.258 40.800 0.167 0.000 1.084 144 D HN 0.854 nan 8.370 nan 0.000 0.435 145 D N -1.902 118.537 120.400 0.065 0.000 3.059 145 D HA -0.133 4.508 4.640 0.001 0.000 0.208 145 D C 1.107 177.409 176.300 0.003 0.000 1.079 145 D CA 1.845 55.867 54.000 0.037 0.000 0.986 145 D CB -1.480 39.331 40.800 0.018 0.000 1.090 145 D HN 1.234 nan 8.370 nan 0.000 0.428 146 G N 0.214 109.022 108.800 0.015 0.000 2.143 146 G HA2 -0.371 3.590 3.960 0.001 0.000 0.249 146 G HA3 -0.371 3.590 3.960 0.001 0.000 0.249 146 G C 1.149 175.854 174.900 -0.326 0.000 0.981 146 G CA 0.498 45.489 45.100 -0.182 0.000 0.665 146 G HN 0.512 nan 8.290 nan 0.000 0.528 147 I N -0.753 119.709 120.570 -0.181 0.000 2.286 147 I HA 0.087 4.258 4.170 0.001 0.000 0.245 147 I C 1.382 177.360 176.117 -0.231 0.000 1.104 147 I CA 0.724 61.863 61.300 -0.268 0.000 1.397 147 I CB -0.015 37.764 38.000 -0.370 0.000 1.072 147 I HN 0.268 nan 8.210 nan 0.000 0.417 148 L N 1.880 123.070 121.223 -0.054 0.000 2.264 148 L HA 0.436 4.777 4.340 0.001 0.000 0.289 148 L C -0.555 176.340 176.870 0.041 0.000 1.044 148 L CA 0.116 54.980 54.840 0.039 0.000 0.807 148 L CB 0.715 42.865 42.059 0.151 0.000 1.192 148 L HN -0.044 nan 8.230 nan 0.000 0.425 149 I N 6.752 127.340 120.570 0.029 0.000 2.359 149 I HA 0.301 4.472 4.170 0.001 0.000 0.284 149 I C -0.606 175.625 176.117 0.190 0.000 1.018 149 I CA -0.424 60.951 61.300 0.125 0.000 1.173 149 I CB 1.026 39.033 38.000 0.011 0.000 1.326 149 I HN 0.491 nan 8.210 nan 0.000 0.462 150 L N 6.039 127.406 121.223 0.239 0.000 2.357 150 L HA 0.481 4.822 4.340 0.001 0.000 0.273 150 L C -0.062 176.937 176.870 0.215 0.000 1.080 150 L CA -0.519 54.430 54.840 0.182 0.000 0.803 150 L CB 1.269 43.419 42.059 0.152 0.000 1.174 150 L HN 0.583 nan 8.230 nan 0.000 0.443 151 Q N 1.452 121.325 119.800 0.123 0.000 2.316 151 Q HA 0.406 4.747 4.340 0.001 0.000 0.264 151 Q C -1.249 174.689 176.000 -0.104 0.000 0.987 151 Q CA -0.754 55.045 55.803 -0.007 0.000 0.852 151 Q CB 2.309 31.019 28.738 -0.047 0.000 1.287 151 Q HN 0.459 nan 8.270 nan 0.000 0.448 152 V N 5.010 124.822 119.914 -0.170 0.000 2.479 152 V HA -0.026 4.094 4.120 0.001 0.000 0.281 152 V C 0.656 176.633 176.094 -0.194 0.000 1.031 152 V CA 0.178 62.367 62.300 -0.186 0.000 1.038 152 V CB 1.127 32.828 31.823 -0.202 0.000 0.981 152 V HN 0.875 nan 8.190 nan 0.000 0.478 153 Q N 3.001 122.694 119.800 -0.178 0.000 2.387 153 Q HA 0.212 4.553 4.340 0.001 0.000 0.208 153 Q C 0.677 176.587 176.000 -0.149 0.000 0.935 153 Q CA 0.819 56.535 55.803 -0.145 0.000 0.891 153 Q CB 0.683 29.351 28.738 -0.116 0.000 1.007 153 Q HN 0.896 nan 8.270 nan 0.000 0.548 154 S N -0.956 114.635 115.700 -0.182 0.000 2.611 154 S HA 0.416 4.887 4.470 0.001 0.000 0.268 154 S C -1.287 173.167 174.600 -0.243 0.000 1.156 154 S CA -0.938 57.159 58.200 -0.173 0.000 0.817 154 S CB 0.700 63.869 63.200 -0.051 0.000 1.122 154 S HN 0.226 nan 8.310 nan 0.000 0.466 155 H N 1.059 120.119 119.070 -0.016 0.000 2.911 155 H HA 0.373 4.930 4.556 0.001 0.000 0.273 155 H C 1.109 176.444 175.328 0.011 0.000 1.157 155 H CA -0.166 55.875 56.048 -0.011 0.000 1.402 155 H CB 1.146 30.895 29.762 -0.022 0.000 1.463 155 H HN 0.856 nan 8.280 nan 0.000 0.475 156 E N 2.675 122.944 120.200 0.115 0.000 2.070 156 E HA -0.186 4.164 4.350 0.001 0.000 0.197 156 E C 0.172 176.808 176.600 0.060 0.000 1.004 156 E CA 2.111 58.572 56.400 0.101 0.000 0.805 156 E CB 0.315 30.094 29.700 0.132 0.000 0.744 156 E HN 0.877 nan 8.360 nan 0.000 0.451 157 D N -2.907 117.530 120.400 0.062 0.000 2.921 157 D HA 0.135 4.776 4.640 0.001 0.000 0.329 157 D C 0.243 176.561 176.300 0.029 0.000 1.293 157 D CA -0.567 53.451 54.000 0.031 0.000 0.964 157 D CB -0.301 40.498 40.800 -0.001 0.000 1.435 157 D HN -0.048 nan 8.370 nan 0.000 0.548 158 E N -1.115 119.081 120.200 -0.007 0.000 2.409 158 E HA -0.076 4.275 4.350 0.001 0.000 0.198 158 E C 0.674 177.262 176.600 -0.020 0.000 1.024 158 E CA 0.855 57.235 56.400 -0.034 0.000 0.861 158 E CB 0.112 29.785 29.700 -0.044 0.000 0.788 158 E HN 0.350 nan 8.360 nan 0.000 0.521 159 Q N -0.884 118.916 119.800 -0.000 0.000 2.140 159 Q HA 0.127 4.467 4.340 0.001 0.000 0.227 159 Q C -0.546 175.450 176.000 -0.008 0.000 0.798 159 Q CA 0.131 55.932 55.803 -0.003 0.000 0.987 159 Q CB 1.860 30.604 28.738 0.009 0.000 1.161 159 Q HN -0.076 nan 8.270 nan 0.000 0.480 160 T N 0.834 115.394 114.554 0.010 0.000 2.916 160 T HA 0.537 4.888 4.350 0.001 0.000 0.298 160 T C -0.942 173.781 174.700 0.037 0.000 1.031 160 T CA -0.504 61.593 62.100 -0.005 0.000 0.993 160 T CB 1.505 70.355 68.868 -0.030 0.000 1.045 160 T HN 0.023 nan 8.240 nan 0.000 0.454 161 L N 2.339 123.554 121.223 -0.012 0.000 2.322 161 L HA 0.517 4.857 4.340 0.001 0.000 0.281 161 L C 0.483 177.305 176.870 -0.079 0.000 1.014 161 L CA -0.879 53.919 54.840 -0.071 0.000 0.815 161 L CB 1.684 43.659 42.059 -0.140 0.000 1.247 161 L HN 0.645 nan 8.230 nan 0.000 0.421 162 E N 2.606 122.748 120.200 -0.096 0.000 2.259 162 E HA 0.281 4.632 4.350 0.001 0.000 0.281 162 E C -1.379 175.041 176.600 -0.300 0.000 1.037 162 E CA -0.456 55.757 56.400 -0.313 0.000 0.854 162 E CB 1.052 30.663 29.700 -0.149 0.000 1.051 162 E HN 0.595 nan 8.360 nan 0.000 0.409 163 C N 3.281 122.367 119.300 -0.357 0.000 2.614 163 C HA 0.452 4.912 4.460 0.001 0.000 0.320 163 C C -0.005 174.883 174.990 -0.170 0.000 1.200 163 C CA -0.651 58.245 59.018 -0.204 0.000 1.700 163 C CB 1.696 29.356 27.740 -0.133 0.000 2.275 163 C HN 0.723 nan 8.230 nan 0.000 0.492 164 T N 1.804 116.302 114.554 -0.093 0.000 2.845 164 T HA 0.359 4.710 4.350 0.001 0.000 0.288 164 T C -0.100 174.604 174.700 0.006 0.000 0.980 164 T CA -0.206 61.868 62.100 -0.044 0.000 1.071 164 T CB 0.866 69.721 68.868 -0.022 0.000 0.941 164 T HN 0.446 nan 8.240 nan 0.000 0.487 165 V N 4.338 124.262 119.914 0.015 0.000 2.389 165 V HA 0.147 4.268 4.120 0.001 0.000 0.264 165 V C 1.782 177.904 176.094 0.046 0.000 1.049 165 V CA -0.036 62.290 62.300 0.043 0.000 0.932 165 V CB 0.578 32.423 31.823 0.037 0.000 1.011 165 V HN 1.187 nan 8.190 nan 0.000 0.475 166 T N 0.931 115.525 114.554 0.068 0.000 3.067 166 T HA 0.057 4.408 4.350 0.001 0.000 0.257 166 T C 0.604 175.320 174.700 0.027 0.000 1.105 166 T CA 0.358 62.494 62.100 0.060 0.000 1.104 166 T CB -0.081 68.847 68.868 0.101 0.000 0.925 166 T HN 0.703 nan 8.240 nan 0.000 0.498 167 N N -0.101 118.611 118.700 0.020 0.000 2.484 167 N HA 0.238 4.979 4.740 0.001 0.000 0.269 167 N C -1.785 173.735 175.510 0.017 0.000 1.237 167 N CA -0.615 52.435 53.050 0.000 0.000 0.838 167 N CB 1.618 40.084 38.487 -0.035 0.000 1.593 167 N HN -0.022 nan 8.380 nan 0.000 0.485 168 S N 0.284 115.994 115.700 0.017 0.000 2.565 168 S HA 0.363 4.834 4.470 0.001 0.000 0.276 168 S C -0.879 173.785 174.600 0.106 0.000 1.326 168 S CA 0.145 58.367 58.200 0.037 0.000 1.045 168 S CB -0.286 62.926 63.200 0.019 0.000 0.918 168 S HN 0.729 nan 8.310 nan 0.000 0.505 169 H N 0.268 119.304 119.070 -0.057 0.000 3.136 169 H HA 0.219 4.776 4.556 0.002 0.000 0.313 169 H C -1.099 174.170 175.328 -0.097 0.000 1.103 169 H CA -0.367 55.639 56.048 -0.069 0.000 1.437 169 H CB 0.404 30.127 29.762 -0.065 0.000 2.063 169 H HN 0.516 nan 8.280 nan 0.000 0.495 170 T N 5.980 120.258 114.554 -0.460 0.000 2.832 170 T HA 0.498 4.848 4.350 0.001 0.000 0.296 170 T C 0.388 174.697 174.700 -0.651 0.000 0.968 170 T CA -0.349 61.484 62.100 -0.445 0.000 1.107 170 T CB -0.223 68.467 68.868 -0.297 0.000 0.916 170 T HN 0.447 nan 8.240 nan 0.000 0.517 171 I N 0.516 120.787 120.570 -0.499 0.000 2.465 171 I HA 0.709 4.880 4.170 0.001 0.000 0.291 171 I C 0.318 176.231 176.117 -0.340 0.000 1.014 171 I CA -0.901 60.155 61.300 -0.408 0.000 1.093 171 I CB 2.036 39.837 38.000 -0.331 0.000 1.267 171 I HN 0.543 nan 8.210 nan 0.000 0.431 172 S N 2.687 118.311 115.700 -0.125 0.000 2.666 172 S HA 0.383 4.854 4.470 0.001 0.000 0.279 172 S C -0.283 174.460 174.600 0.239 0.000 1.149 172 S CA -0.784 57.429 58.200 0.021 0.000 1.020 172 S CB 0.579 63.784 63.200 0.009 0.000 1.127 172 S HN 0.650 nan 8.310 nan 0.000 0.537 173 D N 1.057 121.600 120.400 0.238 0.000 2.488 173 D HA 0.162 4.803 4.640 0.001 0.000 0.238 173 D C 0.206 176.579 176.300 0.122 0.000 1.138 173 D CA 0.797 54.907 54.000 0.183 0.000 0.873 173 D CB -0.144 40.706 40.800 0.085 0.000 1.183 173 D HN 0.556 nan 8.370 nan 0.000 0.458 174 R N 0.251 120.798 120.500 0.079 0.000 3.332 174 R HA -0.235 4.106 4.340 0.001 0.000 0.263 174 R C -0.210 176.145 176.300 0.091 0.000 1.053 174 R CA 0.275 56.416 56.100 0.069 0.000 0.705 174 R CB -1.244 29.085 30.300 0.048 0.000 1.166 174 R HN 0.305 nan 8.270 nan 0.000 0.427 175 R N 0.242 120.819 120.500 0.129 0.000 2.615 175 R HA 0.316 4.657 4.340 0.001 0.000 0.270 175 R C 1.016 177.376 176.300 0.101 0.000 1.081 175 R CA 0.849 57.017 56.100 0.113 0.000 1.154 175 R CB 0.632 31.006 30.300 0.124 0.000 1.063 175 R HN 0.321 nan 8.270 nan 0.000 0.519 176 G N 0.431 109.277 108.800 0.077 0.000 2.467 176 G HA2 0.406 4.367 3.960 0.001 0.000 0.257 176 G HA3 0.406 4.367 3.960 0.001 0.000 0.257 176 G C -0.857 174.091 174.900 0.081 0.000 1.227 176 G CA -0.324 44.808 45.100 0.053 0.000 0.835 176 G HN 0.489 nan 8.290 nan 0.000 0.556 177 V N 0.330 120.282 119.914 0.063 0.000 2.864 177 V HA 0.716 4.837 4.120 0.001 0.000 0.314 177 V C -0.482 175.647 176.094 0.059 0.000 1.073 177 V CA -1.304 61.056 62.300 0.099 0.000 0.956 177 V CB 2.018 33.915 31.823 0.124 0.000 1.023 177 V HN 0.775 nan 8.190 nan 0.000 0.435 178 N N 2.727 121.485 118.700 0.096 0.000 2.469 178 N HA 0.665 5.406 4.740 0.001 0.000 0.286 178 N C -1.876 173.621 175.510 -0.022 0.000 1.275 178 N CA -0.566 52.507 53.050 0.039 0.000 0.790 178 N CB 2.113 40.645 38.487 0.074 0.000 1.446 178 N HN 0.507 nan 8.380 nan 0.000 0.501 179 L N 2.079 123.271 121.223 -0.050 0.000 2.480 179 L HA 0.329 4.670 4.340 0.001 0.000 0.253 179 L C -1.827 174.979 176.870 -0.108 0.000 1.324 179 L CA -1.531 53.266 54.840 -0.071 0.000 0.916 179 L CB 1.012 43.084 42.059 0.023 0.000 1.160 179 L HN 0.377 nan 8.230 nan 0.000 0.503 180 P HA -0.016 nan 4.420 nan 0.000 0.223 180 P C 1.090 178.310 177.300 -0.132 0.000 1.151 180 P CA 0.790 63.792 63.100 -0.164 0.000 0.787 180 P CB 0.509 32.057 31.700 -0.254 0.000 0.788 181 G N -1.585 107.140 108.800 -0.124 0.000 3.707 181 G HA2 0.256 4.217 3.960 0.001 0.000 0.286 181 G HA3 0.256 4.217 3.960 0.001 0.000 0.286 181 G C -0.452 174.368 174.900 -0.132 0.000 1.112 181 G CA -0.015 44.996 45.100 -0.148 0.000 0.861 181 G HN 0.240 nan 8.290 nan 0.000 0.534 182 C N 0.634 119.875 119.300 -0.099 0.000 2.547 182 C HA 0.410 4.871 4.460 0.001 0.000 0.313 182 C C -0.939 174.045 174.990 -0.010 0.000 1.191 182 C CA -1.257 57.740 59.018 -0.034 0.000 1.474 182 C CB 1.880 29.628 27.740 0.014 0.000 2.081 182 C HN 0.373 nan 8.230 nan 0.000 0.476 183 D N 2.755 123.160 120.400 0.009 0.000 2.422 183 D HA 0.205 4.846 4.640 0.001 0.000 0.227 183 D C 0.024 176.362 176.300 0.063 0.000 1.190 183 D CA 0.245 54.258 54.000 0.022 0.000 0.905 183 D CB 1.018 41.828 40.800 0.017 0.000 1.034 183 D HN 0.220 nan 8.370 nan 0.000 0.507 184 V N 2.971 122.914 119.914 0.049 0.000 2.555 184 V HA 0.031 4.152 4.120 0.001 0.000 0.286 184 V C 0.849 176.972 176.094 0.049 0.000 1.044 184 V CA -0.140 62.201 62.300 0.068 0.000 1.026 184 V CB 1.286 33.136 31.823 0.046 0.000 0.981 184 V HN 0.476 nan 8.190 nan 0.000 0.480 185 D N 3.443 123.940 120.400 0.162 0.000 2.696 185 D HA 0.174 4.815 4.640 0.001 0.000 0.269 185 D C 0.156 176.545 176.300 0.148 0.000 1.319 185 D CA -0.424 53.655 54.000 0.131 0.000 0.826 185 D CB -0.199 40.686 40.800 0.141 0.000 1.086 185 D HN 0.361 nan 8.370 nan 0.000 0.481 186 L N 0.468 121.744 121.223 0.090 0.000 2.529 186 L HA 0.166 4.506 4.340 0.001 0.000 0.287 186 L C -1.605 175.313 176.870 0.080 0.000 1.241 186 L CA -1.222 53.672 54.840 0.089 0.000 0.857 186 L CB -0.260 41.822 42.059 0.038 0.000 1.113 186 L HN -0.022 nan 8.230 nan 0.000 0.504 187 P HA 0.007 nan 4.420 nan 0.000 0.270 187 P C 0.023 177.360 177.300 0.061 0.000 1.223 187 P CA -0.178 62.959 63.100 0.061 0.000 0.785 187 P CB 0.613 32.350 31.700 0.062 0.000 0.923 188 A N 1.387 124.233 122.820 0.044 0.000 1.930 188 A HA 0.019 4.340 4.320 0.001 0.000 0.217 188 A C 0.808 178.428 177.584 0.061 0.000 1.175 188 A CA 1.428 53.491 52.037 0.043 0.000 0.627 188 A CB -0.492 18.522 19.000 0.024 0.000 0.815 188 A HN 0.412 nan 8.150 nan 0.000 0.443 189 V N 1.111 121.056 119.914 0.053 0.000 2.483 189 V HA 0.372 4.493 4.120 0.001 0.000 0.297 189 V C 0.388 176.513 176.094 0.053 0.000 1.027 189 V CA -0.306 62.025 62.300 0.051 0.000 0.855 189 V CB 1.457 33.303 31.823 0.039 0.000 0.995 189 V HN 0.569 nan 8.190 nan 0.000 0.424 190 S N 4.632 120.366 115.700 0.056 0.000 2.617 190 S HA 0.477 4.948 4.470 0.001 0.000 0.259 190 S C 1.481 176.112 174.600 0.051 0.000 1.301 190 S CA 0.248 58.480 58.200 0.053 0.000 0.984 190 S CB 1.405 64.635 63.200 0.049 0.000 0.954 190 S HN 1.074 nan 8.310 nan 0.000 0.572 191 A N 0.837 123.686 122.820 0.049 0.000 1.930 191 A HA -0.058 4.263 4.320 0.001 0.000 0.217 191 A C 2.188 179.804 177.584 0.053 0.000 1.175 191 A CA 1.616 53.681 52.037 0.047 0.000 0.627 191 A CB -0.900 18.125 19.000 0.041 0.000 0.815 191 A HN 0.918 nan 8.150 nan 0.000 0.443 192 K N -0.392 120.040 120.400 0.054 0.000 2.057 192 K HA -0.203 4.118 4.320 0.001 0.000 0.207 192 K C 1.241 177.904 176.600 0.105 0.000 1.049 192 K CA 1.664 57.992 56.287 0.069 0.000 0.931 192 K CB -0.259 32.276 32.500 0.060 0.000 0.714 192 K HN 0.355 nan 8.250 nan 0.000 0.440 193 D N 0.537 120.987 120.400 0.083 0.000 2.123 193 D HA -0.169 4.472 4.640 0.001 0.000 0.196 193 D C 2.020 178.357 176.300 0.062 0.000 0.992 193 D CA 1.072 55.111 54.000 0.067 0.000 0.833 193 D CB -0.135 40.693 40.800 0.047 0.000 0.954 193 D HN 0.208 nan 8.370 nan 0.000 0.455 194 R N 0.156 120.694 120.500 0.063 0.000 2.091 194 R HA -0.094 4.247 4.340 0.001 0.000 0.238 194 R C 2.191 178.543 176.300 0.088 0.000 1.136 194 R CA 0.764 56.900 56.100 0.060 0.000 0.959 194 R CB -0.149 30.183 30.300 0.054 0.000 0.856 194 R HN 0.056 nan 8.270 nan 0.000 0.437 195 V N 0.784 120.771 119.914 0.121 0.000 2.871 195 V HA -0.153 3.968 4.120 0.001 0.000 0.256 195 V C 1.185 177.445 176.094 0.276 0.000 1.082 195 V CA 1.533 63.947 62.300 0.190 0.000 1.105 195 V CB -0.228 31.693 31.823 0.163 0.000 0.713 195 V HN 0.286 nan 8.190 nan 0.000 0.473 196 D N 0.104 120.624 120.400 0.200 0.000 2.137 196 D HA -0.031 4.610 4.640 0.001 0.000 0.202 196 D C 2.146 178.422 176.300 -0.039 0.000 0.970 196 D CA 0.952 55.025 54.000 0.121 0.000 0.837 196 D CB -0.100 40.734 40.800 0.056 0.000 0.981 196 D HN 0.300 nan 8.370 nan 0.000 0.475 197 L N 0.399 121.610 121.223 -0.020 0.000 2.046 197 L HA -0.199 4.141 4.340 0.001 0.000 0.208 197 L C 2.455 179.321 176.870 -0.008 0.000 1.077 197 L CA 0.941 55.756 54.840 -0.042 0.000 0.747 197 L CB -0.265 41.781 42.059 -0.023 0.000 0.896 197 L HN 0.002 nan 8.230 nan 0.000 0.432 198 Q N 0.034 119.863 119.800 0.048 0.000 2.084 198 Q HA -0.249 4.092 4.340 0.001 0.000 0.202 198 Q C 2.006 178.041 176.000 0.060 0.000 0.978 198 Q CA 1.820 57.656 55.803 0.056 0.000 0.844 198 Q CB -0.462 28.329 28.738 0.087 0.000 0.898 198 Q HN 0.447 nan 8.270 nan 0.000 0.426 199 F N -0.365 119.547 119.950 -0.063 0.000 2.134 199 F HA -0.010 4.518 4.527 0.001 0.000 0.299 199 F C 1.823 177.542 175.800 -0.134 0.000 1.097 199 F CA 1.865 59.795 58.000 -0.118 0.000 1.264 199 F CB -0.590 38.208 39.000 -0.336 0.000 1.001 199 F HN 0.160 nan 8.300 nan 0.000 0.479 200 G N -0.018 108.736 108.800 -0.076 0.000 2.418 200 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 200 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 200 G C 1.701 176.490 174.900 -0.185 0.000 1.158 200 G CA 1.158 46.154 45.100 -0.172 0.000 0.771 200 G HN 0.343 nan 8.290 nan 0.000 0.545 201 V N 0.707 120.542 119.914 -0.131 0.000 2.343 201 V HA -0.179 3.941 4.120 0.001 0.000 0.247 201 V C 2.650 178.664 176.094 -0.134 0.000 1.051 201 V CA 2.249 64.484 62.300 -0.107 0.000 1.036 201 V CB -0.569 31.216 31.823 -0.064 0.000 0.654 201 V HN 0.451 nan 8.190 nan 0.000 0.451 202 E N -0.273 119.826 120.200 -0.168 0.000 2.077 202 E HA -0.212 4.139 4.350 0.001 0.000 0.193 202 E C 2.040 178.495 176.600 -0.241 0.000 0.989 202 E CA 1.060 57.351 56.400 -0.182 0.000 0.800 202 E CB -0.085 29.505 29.700 -0.183 0.000 0.746 202 E HN 0.489 nan 8.360 nan 0.000 0.452 203 Q N -0.653 118.922 119.800 -0.374 0.000 2.320 203 Q HA 0.110 4.451 4.340 0.001 0.000 0.201 203 Q C 0.600 176.475 176.000 -0.209 0.000 0.910 203 Q CA 0.576 56.176 55.803 -0.338 0.000 0.946 203 Q CB 0.872 29.296 28.738 -0.523 0.000 1.062 203 Q HN 0.369 nan 8.270 nan 0.000 0.503 204 G N 1.463 110.159 108.800 -0.174 0.000 2.295 204 G HA2 -0.272 3.689 3.960 0.001 0.000 0.287 204 G HA3 -0.272 3.689 3.960 0.001 0.000 0.287 204 G C 0.385 175.219 174.900 -0.110 0.000 1.055 204 G CA 0.399 45.426 45.100 -0.121 0.000 0.922 204 G HN 0.375 nan 8.290 nan 0.000 0.503 205 V N -2.694 117.145 119.914 -0.125 0.000 2.843 205 V HA 0.333 4.453 4.120 0.001 0.000 0.305 205 V C 1.351 177.388 176.094 -0.096 0.000 1.065 205 V CA 0.537 62.771 62.300 -0.111 0.000 1.116 205 V CB 1.009 32.755 31.823 -0.130 0.000 0.968 205 V HN 0.247 nan 8.190 nan 0.000 0.487 206 D N 3.567 123.914 120.400 -0.089 0.000 2.117 206 D HA 0.012 4.653 4.640 0.001 0.000 0.198 206 D C 0.798 177.056 176.300 -0.070 0.000 0.982 206 D CA 2.127 56.085 54.000 -0.070 0.000 0.828 206 D CB 0.113 40.880 40.800 -0.054 0.000 0.967 206 D HN 0.834 nan 8.370 nan 0.000 0.464 207 M N -0.813 118.718 119.600 -0.114 0.000 2.622 207 M HA 0.460 4.941 4.480 0.001 0.000 0.276 207 M C -1.669 174.518 176.300 -0.188 0.000 1.265 207 M CA -0.914 54.322 55.300 -0.106 0.000 0.850 207 M CB 2.997 35.568 32.600 -0.048 0.000 1.720 207 M HN -0.374 nan 8.290 nan 0.000 0.465 208 I N 2.415 122.926 120.570 -0.097 0.000 2.378 208 I HA 0.423 4.594 4.170 0.001 0.000 0.291 208 I C -1.326 174.855 176.117 0.108 0.000 0.992 208 I CA -0.374 60.871 61.300 -0.091 0.000 1.154 208 I CB 1.456 39.430 38.000 -0.043 0.000 1.315 208 I HN 0.597 nan 8.210 nan 0.000 0.448 209 F N 4.562 124.502 119.950 -0.017 0.000 2.368 209 F HA 0.427 4.955 4.527 0.001 0.000 0.362 209 F C 0.870 176.673 175.800 0.005 0.000 1.137 209 F CA -1.446 56.556 58.000 0.004 0.000 1.161 209 F CB 0.718 39.729 39.000 0.019 0.000 1.265 209 F HN 0.455 nan 8.300 nan 0.000 0.530 210 A N 3.146 126.079 122.820 0.188 0.000 2.310 210 A HA 0.499 4.820 4.320 0.001 0.000 0.300 210 A C 0.510 178.163 177.584 0.115 0.000 1.269 210 A CA -0.351 51.754 52.037 0.113 0.000 0.909 210 A CB -0.103 18.943 19.000 0.077 0.000 1.144 210 A HN 0.597 nan 8.150 nan 0.000 0.540 211 S N 1.460 117.236 115.700 0.127 0.000 2.579 211 S HA 0.320 4.791 4.470 0.001 0.000 0.275 211 S C 0.248 174.985 174.600 0.228 0.000 1.345 211 S CA 0.031 58.324 58.200 0.155 0.000 1.031 211 S CB -0.152 63.128 63.200 0.133 0.000 0.892 211 S HN 1.203 nan 8.310 nan 0.000 0.529 212 F N 0.938 120.897 119.950 0.015 0.000 2.943 212 F HA -0.165 4.363 4.527 0.001 0.000 0.258 212 F C -0.409 175.394 175.800 0.005 0.000 0.995 212 F CA -0.284 57.719 58.000 0.006 0.000 0.896 212 F CB -1.160 37.838 39.000 -0.003 0.000 0.821 212 F HN 0.424 nan 8.300 nan 0.000 0.828 213 I N 3.992 124.550 120.570 -0.021 0.000 2.347 213 I HA 0.040 4.211 4.170 0.001 0.000 0.294 213 I C 1.553 177.579 176.117 -0.152 0.000 1.090 213 I CA -0.094 61.164 61.300 -0.069 0.000 1.314 213 I CB 0.774 38.762 38.000 -0.020 0.000 1.423 213 I HN 0.251 nan 8.210 nan 0.000 0.503 214 R N 4.261 124.627 120.500 -0.223 0.000 2.115 214 R HA -0.015 4.326 4.340 0.001 0.000 0.226 214 R C 0.687 176.924 176.300 -0.106 0.000 1.100 214 R CA 0.467 56.448 56.100 -0.199 0.000 0.980 214 R CB -0.478 29.679 30.300 -0.237 0.000 0.875 214 R HN 0.657 nan 8.270 nan 0.000 0.445 215 S N -2.240 113.415 115.700 -0.076 0.000 2.596 215 S HA 0.618 5.088 4.470 0.001 0.000 0.270 215 S C 0.427 175.008 174.600 -0.032 0.000 1.155 215 S CA -0.346 57.826 58.200 -0.047 0.000 0.827 215 S CB 1.762 64.938 63.200 -0.039 0.000 1.130 215 S HN 0.060 nan 8.310 nan 0.000 0.467 216 A N 0.808 123.614 122.820 -0.024 0.000 1.933 216 A HA -0.030 4.291 4.320 0.001 0.000 0.218 216 A C 1.949 179.526 177.584 -0.012 0.000 1.175 216 A CA 1.841 53.868 52.037 -0.017 0.000 0.628 216 A CB -1.142 17.849 19.000 -0.015 0.000 0.814 216 A HN 1.008 nan 8.150 nan 0.000 0.444 217 E N -0.425 119.768 120.200 -0.012 0.000 2.110 217 E HA -0.278 4.072 4.350 0.001 0.000 0.193 217 E C 2.134 178.731 176.600 -0.005 0.000 0.988 217 E CA 1.356 57.752 56.400 -0.007 0.000 0.804 217 E CB -0.224 29.472 29.700 -0.007 0.000 0.745 217 E HN 0.754 nan 8.360 nan 0.000 0.458 218 Q N 0.169 119.963 119.800 -0.010 0.000 2.124 218 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 218 Q C 2.229 178.229 176.000 0.000 0.000 0.977 218 Q CA 1.728 57.527 55.803 -0.006 0.000 0.850 218 Q CB 0.173 28.901 28.738 -0.018 0.000 0.901 218 Q HN 0.287 nan 8.270 nan 0.000 0.429 219 V N 0.145 120.057 119.914 -0.002 0.000 2.343 219 V HA -0.208 3.912 4.120 0.001 0.000 0.247 219 V C 2.315 178.412 176.094 0.004 0.000 1.051 219 V CA 1.857 64.159 62.300 0.003 0.000 1.036 219 V CB -1.282 30.542 31.823 0.001 0.000 0.654 219 V HN 0.574 nan 8.190 nan 0.000 0.451 220 G N -0.189 108.613 108.800 0.002 0.000 2.422 220 G HA2 -0.244 3.717 3.960 0.001 0.000 0.218 220 G HA3 -0.244 3.717 3.960 0.001 0.000 0.218 220 G C 1.226 176.129 174.900 0.005 0.000 1.146 220 G CA 1.007 46.108 45.100 0.003 0.000 0.769 220 G HN 0.502 nan 8.290 nan 0.000 0.547 221 D N 0.259 120.663 120.400 0.007 0.000 2.144 221 D HA -0.085 4.556 4.640 0.001 0.000 0.199 221 D C 2.755 179.062 176.300 0.011 0.000 0.984 221 D CA 0.646 54.652 54.000 0.010 0.000 0.834 221 D CB -0.335 40.472 40.800 0.012 0.000 0.955 221 D HN 0.223 nan 8.370 nan 0.000 0.465 222 V N 0.906 120.826 119.914 0.011 0.000 2.343 222 V HA -0.222 3.899 4.120 0.001 0.000 0.247 222 V C 2.479 178.576 176.094 0.005 0.000 1.051 222 V CA 1.361 63.667 62.300 0.009 0.000 1.036 222 V CB -0.388 31.442 31.823 0.012 0.000 0.654 222 V HN 0.038 nan 8.190 nan 0.000 0.451 223 R N 0.998 121.501 120.500 0.005 0.000 2.096 223 R HA -0.159 4.182 4.340 0.001 0.000 0.235 223 R C 2.233 178.534 176.300 0.002 0.000 1.127 223 R CA 1.929 58.031 56.100 0.003 0.000 0.968 223 R CB -0.505 29.797 30.300 0.004 0.000 0.861 223 R HN 0.533 nan 8.270 nan 0.000 0.440 224 K N -0.797 119.606 120.400 0.005 0.000 2.103 224 K HA 0.026 4.347 4.320 0.001 0.000 0.204 224 K C 1.812 178.417 176.600 0.007 0.000 1.052 224 K CA 1.121 57.411 56.287 0.006 0.000 0.945 224 K CB -0.157 32.347 32.500 0.008 0.000 0.722 224 K HN 0.212 nan 8.250 nan 0.000 0.443 225 A N 1.251 124.076 122.820 0.008 0.000 1.972 225 A HA -0.094 4.227 4.320 0.001 0.000 0.219 225 A C 2.038 179.625 177.584 0.005 0.000 1.169 225 A CA 1.094 53.137 52.037 0.010 0.000 0.635 225 A CB -0.531 18.477 19.000 0.013 0.000 0.810 225 A HN 0.314 nan 8.150 nan 0.000 0.446 226 L N -1.333 119.889 121.223 -0.002 0.000 2.093 226 L HA 0.089 4.430 4.340 0.001 0.000 0.208 226 L C 1.652 178.518 176.870 -0.007 0.000 1.085 226 L CA 0.692 55.526 54.840 -0.010 0.000 0.755 226 L CB -1.012 41.037 42.059 -0.015 0.000 0.904 226 L HN 0.690 nan 8.230 nan 0.000 0.435 227 G N -0.824 107.975 108.800 -0.002 0.000 2.681 227 G HA2 -0.234 3.727 3.960 0.001 0.000 0.220 227 G HA3 -0.234 3.727 3.960 0.001 0.000 0.220 227 G C -2.136 172.763 174.900 -0.002 0.000 1.353 227 G CA -0.245 44.854 45.100 -0.000 0.000 0.872 227 G HN 0.050 nan 8.290 nan 0.000 0.557 228 P HA 0.025 nan 4.420 nan 0.000 0.216 228 P C 1.841 179.139 177.300 -0.005 0.000 1.153 228 P CA 1.663 64.762 63.100 -0.001 0.000 0.848 228 P CB 0.027 31.727 31.700 0.001 0.000 0.787 229 K N -0.769 119.627 120.400 -0.007 0.000 2.209 229 K HA 0.004 4.325 4.320 0.001 0.000 0.204 229 K C 1.895 178.484 176.600 -0.019 0.000 1.048 229 K CA 1.492 57.771 56.287 -0.013 0.000 0.940 229 K CB -0.816 31.674 32.500 -0.016 0.000 0.729 229 K HN 0.211 nan 8.250 nan 0.000 0.451 230 G N 1.580 110.370 108.800 -0.018 0.000 3.337 230 G HA2 -0.075 3.885 3.960 0.001 0.000 0.246 230 G HA3 -0.075 3.885 3.960 0.001 0.000 0.246 230 G C 1.283 176.173 174.900 -0.016 0.000 1.131 230 G CA -0.374 44.712 45.100 -0.023 0.000 0.773 230 G HN 0.288 nan 8.290 nan 0.000 0.544 231 R N 0.023 120.517 120.500 -0.010 0.000 2.152 231 R HA -0.000 4.341 4.340 0.001 0.000 0.232 231 R C 0.489 176.787 176.300 -0.003 0.000 1.117 231 R CA 1.384 57.481 56.100 -0.005 0.000 0.981 231 R CB -0.131 30.168 30.300 -0.001 0.000 0.870 231 R HN 0.026 nan 8.270 nan 0.000 0.451 232 D N 0.875 121.272 120.400 -0.006 0.000 2.340 232 D HA 0.204 4.844 4.640 0.001 0.000 0.217 232 D C 0.226 176.521 176.300 -0.008 0.000 1.081 232 D CA 0.108 54.106 54.000 -0.003 0.000 0.842 232 D CB 0.224 41.024 40.800 -0.001 0.000 0.934 232 D HN 0.255 nan 8.370 nan 0.000 0.511 233 I N 1.117 121.678 120.570 -0.015 0.000 2.441 233 I HA 0.103 4.274 4.170 0.001 0.000 0.287 233 I C 0.751 176.863 176.117 -0.008 0.000 1.049 233 I CA -0.341 60.946 61.300 -0.022 0.000 1.381 233 I CB 0.948 38.925 38.000 -0.039 0.000 1.409 233 I HN -0.360 nan 8.210 nan 0.000 0.523 234 M N 6.659 126.259 119.600 0.000 0.000 2.200 234 M HA 0.324 4.805 4.480 0.001 0.000 0.355 234 M C -0.468 175.851 176.300 0.032 0.000 1.283 234 M CA 0.205 55.518 55.300 0.021 0.000 1.124 234 M CB 0.584 33.207 32.600 0.037 0.000 1.625 234 M HN 0.391 nan 8.290 nan 0.000 0.463 235 I N 4.894 125.487 120.570 0.038 0.000 2.306 235 I HA 0.272 4.443 4.170 0.001 0.000 0.288 235 I C -0.497 175.666 176.117 0.077 0.000 1.036 235 I CA -0.594 60.738 61.300 0.053 0.000 1.221 235 I CB 0.612 38.632 38.000 0.033 0.000 1.385 235 I HN 0.464 nan 8.210 nan 0.000 0.472 236 I N 5.764 126.416 120.570 0.137 0.000 2.315 236 I HA 0.183 4.354 4.170 0.001 0.000 0.291 236 I C 0.023 176.192 176.117 0.087 0.000 1.006 236 I CA -0.444 60.932 61.300 0.128 0.000 1.265 236 I CB 1.040 39.173 38.000 0.223 0.000 1.387 236 I HN 0.538 nan 8.210 nan 0.000 0.475 237 C N 6.697 126.017 119.300 0.033 0.000 2.265 237 C HA 0.304 4.765 4.460 0.001 0.000 0.332 237 C C 0.802 175.790 174.990 -0.005 0.000 1.248 237 C CA -1.060 57.971 59.018 0.022 0.000 1.727 237 C CB -0.473 27.273 27.740 0.011 0.000 2.348 237 C HN 0.615 nan 8.230 nan 0.000 0.519 238 K N 3.543 123.949 120.400 0.009 0.000 2.339 238 K HA 0.391 4.711 4.320 0.001 0.000 0.286 238 K C -0.294 176.318 176.600 0.019 0.000 1.050 238 K CA 0.003 56.291 56.287 0.000 0.000 0.956 238 K CB 0.505 33.022 32.500 0.030 0.000 0.990 238 K HN 0.516 nan 8.250 nan 0.000 0.475 239 I N 4.041 124.614 120.570 0.005 0.000 2.306 239 I HA 0.082 4.253 4.170 0.001 0.000 0.288 239 I C 0.680 176.820 176.117 0.037 0.000 1.036 239 I CA 0.131 61.436 61.300 0.008 0.000 1.221 239 I CB 0.747 38.740 38.000 -0.013 0.000 1.385 239 I HN 0.793 nan 8.210 nan 0.000 0.472 240 E N 4.023 124.272 120.200 0.081 0.000 2.606 240 E HA 0.073 4.423 4.350 0.001 0.000 0.224 240 E C -0.145 176.552 176.600 0.162 0.000 0.930 240 E CA -0.118 56.362 56.400 0.134 0.000 1.125 240 E CB 0.677 30.500 29.700 0.205 0.000 1.123 240 E HN 0.719 nan 8.360 nan 0.000 0.522 241 N N -0.804 117.965 118.700 0.115 0.000 3.102 241 N HA 0.073 4.814 4.740 0.001 0.000 0.299 241 N C 0.449 175.999 175.510 0.068 0.000 1.482 241 N CA -0.644 52.476 53.050 0.117 0.000 0.785 241 N CB 0.434 39.002 38.487 0.136 0.000 1.680 241 N HN -0.178 nan 8.380 nan 0.000 0.594 242 H N -0.803 118.266 119.070 -0.002 0.000 2.321 242 H HA 0.024 4.581 4.556 0.002 0.000 0.300 242 H C 1.486 176.792 175.328 -0.035 0.000 1.087 242 H CA 2.142 58.182 56.048 -0.012 0.000 1.319 242 H CB 0.271 30.029 29.762 -0.006 0.000 1.379 242 H HN 0.610 nan 8.280 nan 0.000 0.501 243 Q N -0.836 119.010 119.800 0.076 0.000 2.084 243 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 243 Q C 2.511 178.470 176.000 -0.068 0.000 0.978 243 Q CA 1.100 56.901 55.803 -0.004 0.000 0.844 243 Q CB -0.188 28.521 28.738 -0.048 0.000 0.898 243 Q HN 0.655 nan 8.270 nan 0.000 0.426 244 G N -0.119 108.627 108.800 -0.090 0.000 2.418 244 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 244 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 244 G C 1.455 176.310 174.900 -0.075 0.000 1.158 244 G CA 0.896 45.945 45.100 -0.084 0.000 0.771 244 G HN 0.228 nan 8.290 nan 0.000 0.545 245 V N 0.724 120.582 119.914 -0.093 0.000 2.343 245 V HA -0.243 3.878 4.120 0.001 0.000 0.247 245 V C 2.770 178.793 176.094 -0.117 0.000 1.051 245 V CA 2.242 64.477 62.300 -0.108 0.000 1.036 245 V CB -0.475 31.260 31.823 -0.146 0.000 0.654 245 V HN 0.533 nan 8.190 nan 0.000 0.451 246 Q N 0.306 120.018 119.800 -0.146 0.000 2.124 246 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 246 Q C 1.256 177.217 176.000 -0.064 0.000 0.977 246 Q CA 1.572 57.308 55.803 -0.111 0.000 0.850 246 Q CB -0.067 28.614 28.738 -0.095 0.000 0.901 246 Q HN 0.598 nan 8.270 nan 0.000 0.429 247 N N 0.767 119.433 118.700 -0.058 0.000 2.295 247 N HA 0.019 4.759 4.740 0.001 0.000 0.221 247 N C 1.033 176.519 175.510 -0.040 0.000 1.129 247 N CA 0.009 53.033 53.050 -0.043 0.000 0.836 247 N CB 0.346 38.809 38.487 -0.040 0.000 1.040 247 N HN 0.273 nan 8.380 nan 0.000 0.494 248 I N 1.257 121.801 120.570 -0.043 0.000 2.286 248 I HA -0.229 3.942 4.170 0.001 0.000 0.248 248 I C 1.400 177.500 176.117 -0.028 0.000 1.115 248 I CA 1.608 62.886 61.300 -0.036 0.000 1.392 248 I CB 0.048 38.026 38.000 -0.038 0.000 1.065 248 I HN 0.011 nan 8.210 nan 0.000 0.418 249 D N -0.084 120.300 120.400 -0.027 0.000 2.097 249 D HA -0.167 4.474 4.640 0.001 0.000 0.195 249 D C 2.450 178.737 176.300 -0.021 0.000 0.989 249 D CA 1.840 55.826 54.000 -0.022 0.000 0.827 249 D CB -0.439 40.348 40.800 -0.022 0.000 0.966 249 D HN 0.514 nan 8.370 nan 0.000 0.456 250 S N 0.565 116.252 115.700 -0.022 0.000 2.382 250 S HA -0.108 4.363 4.470 0.001 0.000 0.228 250 S C 2.295 176.884 174.600 -0.019 0.000 1.027 250 S CA 0.525 58.713 58.200 -0.020 0.000 0.991 250 S CB -0.659 62.529 63.200 -0.020 0.000 0.823 250 S HN 0.231 nan 8.310 nan 0.000 0.469 251 I N 1.316 121.873 120.570 -0.021 0.000 2.226 251 I HA -0.106 4.065 4.170 0.001 0.000 0.245 251 I C 2.453 178.561 176.117 -0.014 0.000 1.100 251 I CA 1.256 62.545 61.300 -0.019 0.000 1.374 251 I CB -0.367 37.618 38.000 -0.025 0.000 1.057 251 I HN 0.278 nan 8.210 nan 0.000 0.413 252 I N 0.237 120.798 120.570 -0.015 0.000 2.226 252 I HA -0.258 3.913 4.170 0.001 0.000 0.245 252 I C 2.639 178.751 176.117 -0.009 0.000 1.100 252 I CA 1.114 62.407 61.300 -0.011 0.000 1.374 252 I CB -0.316 37.677 38.000 -0.013 0.000 1.057 252 I HN 0.243 nan 8.210 nan 0.000 0.413 253 E N 0.746 120.939 120.200 -0.011 0.000 2.038 253 E HA -0.236 4.114 4.350 0.001 0.000 0.195 253 E C 2.081 178.677 176.600 -0.007 0.000 1.000 253 E CA 1.379 57.773 56.400 -0.011 0.000 0.803 253 E CB -0.141 29.550 29.700 -0.014 0.000 0.750 253 E HN 0.363 nan 8.360 nan 0.000 0.448 254 E N 0.852 121.048 120.200 -0.007 0.000 2.106 254 E HA -0.068 4.283 4.350 0.001 0.000 0.192 254 E C 1.334 177.935 176.600 0.002 0.000 0.984 254 E CA 0.430 56.828 56.400 -0.003 0.000 0.806 254 E CB -0.449 29.249 29.700 -0.005 0.000 0.750 254 E HN 0.200 nan 8.360 nan 0.000 0.458 255 S N 0.479 116.180 115.700 0.003 0.000 2.634 255 S HA 0.097 4.568 4.470 0.001 0.000 0.261 255 S C 0.612 175.219 174.600 0.013 0.000 1.271 255 S CA -0.474 57.732 58.200 0.010 0.000 0.985 255 S CB 1.072 64.277 63.200 0.009 0.000 0.968 255 S HN -0.089 nan 8.310 nan 0.000 0.568 256 D N 0.224 120.637 120.400 0.022 0.000 2.369 256 D HA 0.329 4.970 4.640 0.001 0.000 0.211 256 D C 0.760 177.076 176.300 0.027 0.000 1.077 256 D CA 0.680 54.695 54.000 0.025 0.000 0.842 256 D CB 0.591 41.410 40.800 0.032 0.000 0.947 256 D HN 0.785 nan 8.370 nan 0.000 0.509 257 G N 0.261 109.075 108.800 0.023 0.000 2.316 257 G HA2 0.346 4.307 3.960 0.001 0.000 0.296 257 G HA3 0.346 4.307 3.960 0.001 0.000 0.296 257 G C -1.949 172.952 174.900 0.002 0.000 1.399 257 G CA -0.686 44.423 45.100 0.015 0.000 0.833 257 G HN -0.071 nan 8.290 nan 0.000 0.565 258 I N 0.557 121.116 120.570 -0.018 0.000 2.730 258 I HA 0.559 4.729 4.170 0.001 0.000 0.298 258 I C -0.267 175.804 176.117 -0.077 0.000 1.089 258 I CA -0.752 60.526 61.300 -0.036 0.000 1.041 258 I CB 2.006 39.990 38.000 -0.026 0.000 1.235 258 I HN 0.605 nan 8.210 nan 0.000 0.423 259 M N 5.213 124.752 119.600 -0.101 0.000 2.294 259 M HA 0.421 4.902 4.480 0.001 0.000 0.335 259 M C -1.187 175.068 176.300 -0.074 0.000 1.079 259 M CA -0.790 54.429 55.300 -0.135 0.000 0.982 259 M CB 1.761 34.216 32.600 -0.242 0.000 1.651 259 M HN 0.244 nan 8.290 nan 0.000 0.437 260 V N 4.894 124.773 119.914 -0.059 0.000 2.313 260 V HA 0.251 4.372 4.120 0.001 0.000 0.252 260 V C 0.531 176.611 176.094 -0.023 0.000 1.112 260 V CA -0.463 61.819 62.300 -0.030 0.000 0.984 260 V CB 0.009 31.821 31.823 -0.019 0.000 1.157 260 V HN 0.871 nan 8.190 nan 0.000 0.493 261 A N 5.442 128.256 122.820 -0.011 0.000 2.922 261 A HA 0.331 4.652 4.320 0.001 0.000 0.298 261 A C 1.476 179.074 177.584 0.023 0.000 1.588 261 A CA -0.328 51.711 52.037 0.004 0.000 1.288 261 A CB -0.307 18.707 19.000 0.023 0.000 1.130 261 A HN 0.837 nan 8.150 nan 0.000 0.557 262 R N 1.553 122.063 120.500 0.017 0.000 2.092 262 R HA -0.115 4.226 4.340 0.001 0.000 0.231 262 R C 2.299 178.619 176.300 0.034 0.000 1.119 262 R CA 1.438 57.552 56.100 0.024 0.000 0.970 262 R CB -0.096 30.215 30.300 0.017 0.000 0.864 262 R HN 0.690 nan 8.270 nan 0.000 0.440 263 G N 1.351 110.173 108.800 0.036 0.000 2.433 263 G HA2 -0.262 3.699 3.960 0.001 0.000 0.216 263 G HA3 -0.262 3.699 3.960 0.001 0.000 0.216 263 G C 0.974 175.904 174.900 0.051 0.000 1.186 263 G CA 0.954 46.079 45.100 0.042 0.000 0.779 263 G HN 0.218 nan 8.290 nan 0.000 0.543 264 D N 0.239 120.673 120.400 0.056 0.000 2.117 264 D HA -0.060 4.581 4.640 0.001 0.000 0.197 264 D C 2.478 178.830 176.300 0.087 0.000 0.987 264 D CA 0.351 54.392 54.000 0.068 0.000 0.829 264 D CB -0.090 40.751 40.800 0.069 0.000 0.961 264 D HN 0.202 nan 8.370 nan 0.000 0.460 265 L N 0.952 122.222 121.223 0.079 0.000 2.083 265 L HA -0.111 4.230 4.340 0.001 0.000 0.209 265 L C 2.416 179.330 176.870 0.074 0.000 1.083 265 L CA 1.397 56.283 54.840 0.077 0.000 0.752 265 L CB -0.544 41.547 42.059 0.053 0.000 0.899 265 L HN 0.048 nan 8.230 nan 0.000 0.433 266 G N -0.868 107.970 108.800 0.063 0.000 2.422 266 G HA2 -0.204 3.757 3.960 0.001 0.000 0.218 266 G HA3 -0.204 3.757 3.960 0.001 0.000 0.218 266 G C 1.488 176.435 174.900 0.077 0.000 1.146 266 G CA 1.019 46.154 45.100 0.059 0.000 0.769 266 G HN 0.336 nan 8.290 nan 0.000 0.547 267 V N 0.619 120.591 119.914 0.097 0.000 2.323 267 V HA -0.083 4.038 4.120 0.001 0.000 0.244 267 V C 2.638 178.837 176.094 0.175 0.000 1.041 267 V CA 1.711 64.100 62.300 0.150 0.000 1.025 267 V CB -0.503 31.416 31.823 0.160 0.000 0.656 267 V HN 0.255 nan 8.190 nan 0.000 0.451 268 E N -0.077 120.203 120.200 0.133 0.000 2.110 268 E HA -0.008 4.343 4.350 0.001 0.000 0.193 268 E C 0.443 177.114 176.600 0.118 0.000 0.988 268 E CA 0.951 57.422 56.400 0.118 0.000 0.804 268 E CB 0.094 29.878 29.700 0.140 0.000 0.745 268 E HN 0.471 nan 8.360 nan 0.000 0.458 269 I N 0.486 121.125 120.570 0.116 0.000 2.689 269 I HA 0.205 4.375 4.170 0.001 0.000 0.299 269 I C -2.508 173.664 176.117 0.092 0.000 1.059 269 I CA -2.825 58.542 61.300 0.112 0.000 1.055 269 I CB 2.254 40.310 38.000 0.093 0.000 1.243 269 I HN -0.267 nan 8.210 nan 0.000 0.425 270 P HA 0.147 nan 4.420 nan 0.000 0.271 270 P C -0.098 177.231 177.300 0.048 0.000 1.216 270 P CA -0.173 62.964 63.100 0.063 0.000 0.776 270 P CB 0.885 32.617 31.700 0.053 0.000 0.881 271 A N 3.956 126.799 122.820 0.038 0.000 1.902 271 A HA -0.191 4.130 4.320 0.001 0.000 0.217 271 A C 1.838 179.436 177.584 0.023 0.000 1.181 271 A CA 1.468 53.523 52.037 0.030 0.000 0.623 271 A CB -1.068 17.945 19.000 0.022 0.000 0.818 271 A HN 0.667 nan 8.150 nan 0.000 0.443 272 E N 0.466 120.678 120.200 0.020 0.000 2.333 272 E HA -0.211 4.140 4.350 0.001 0.000 0.198 272 E C 1.533 178.143 176.600 0.017 0.000 1.007 272 E CA 1.517 57.927 56.400 0.016 0.000 0.845 272 E CB -0.268 29.439 29.700 0.013 0.000 0.766 272 E HN 0.612 nan 8.360 nan 0.000 0.507 273 K N 0.453 120.866 120.400 0.022 0.000 2.243 273 K HA 0.050 4.371 4.320 0.001 0.000 0.201 273 K C 2.097 178.706 176.600 0.015 0.000 1.051 273 K CA 0.593 56.891 56.287 0.019 0.000 0.970 273 K CB 0.229 32.745 32.500 0.026 0.000 0.755 273 K HN -0.057 nan 8.250 nan 0.000 0.465 274 V N 0.802 120.728 119.914 0.019 0.000 2.453 274 V HA -0.259 3.862 4.120 0.001 0.000 0.252 274 V C 2.055 178.156 176.094 0.012 0.000 1.068 274 V CA 1.506 63.816 62.300 0.017 0.000 1.070 274 V CB -0.430 31.406 31.823 0.021 0.000 0.664 274 V HN 0.093 nan 8.190 nan 0.000 0.461 275 V N -0.302 119.620 119.914 0.013 0.000 2.295 275 V HA -0.221 3.900 4.120 0.001 0.000 0.246 275 V C 2.402 178.501 176.094 0.008 0.000 1.049 275 V CA 1.971 64.278 62.300 0.012 0.000 1.024 275 V CB -0.496 31.335 31.823 0.013 0.000 0.648 275 V HN 0.436 nan 8.190 nan 0.000 0.447 276 V N 0.440 120.357 119.914 0.005 0.000 2.343 276 V HA -0.239 3.882 4.120 0.001 0.000 0.247 276 V C 2.723 178.813 176.094 -0.005 0.000 1.051 276 V CA 1.949 64.248 62.300 -0.001 0.000 1.036 276 V CB -1.231 30.590 31.823 -0.003 0.000 0.654 276 V HN 0.551 nan 8.190 nan 0.000 0.451 277 A N -0.787 122.029 122.820 -0.006 0.000 1.933 277 A HA -0.309 4.011 4.320 0.001 0.000 0.218 277 A C 2.264 179.844 177.584 -0.006 0.000 1.175 277 A CA 2.140 54.170 52.037 -0.012 0.000 0.628 277 A CB -0.530 18.462 19.000 -0.013 0.000 0.814 277 A HN 0.599 nan 8.150 nan 0.000 0.444 278 Q N -0.273 119.528 119.800 0.001 0.000 2.050 278 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 278 Q C 2.027 178.032 176.000 0.009 0.000 0.980 278 Q CA 1.930 57.736 55.803 0.006 0.000 0.840 278 Q CB -0.121 28.624 28.738 0.011 0.000 0.898 278 Q HN 0.684 nan 8.270 nan 0.000 0.424 279 K N -0.014 120.391 120.400 0.009 0.000 2.026 279 K HA -0.138 4.183 4.320 0.001 0.000 0.208 279 K C 2.060 178.660 176.600 0.001 0.000 1.048 279 K CA 1.474 57.765 56.287 0.008 0.000 0.929 279 K CB -0.124 32.377 32.500 0.002 0.000 0.713 279 K HN 0.245 nan 8.250 nan 0.000 0.439 280 I N 0.653 121.220 120.570 -0.005 0.000 2.179 280 I HA -0.276 3.895 4.170 0.001 0.000 0.242 280 I C 1.946 178.058 176.117 -0.007 0.000 1.088 280 I CA 0.935 62.229 61.300 -0.010 0.000 1.357 280 I CB -0.149 37.841 38.000 -0.017 0.000 1.051 280 I HN 0.038 nan 8.210 nan 0.000 0.409 281 L N 0.147 121.366 121.223 -0.007 0.000 2.093 281 L HA -0.157 4.183 4.340 0.001 0.000 0.208 281 L C 2.314 179.185 176.870 0.002 0.000 1.085 281 L CA 1.761 56.596 54.840 -0.007 0.000 0.755 281 L CB -0.577 41.474 42.059 -0.012 0.000 0.904 281 L HN 0.174 nan 8.230 nan 0.000 0.435 282 I N -1.601 118.976 120.570 0.012 0.000 2.252 282 I HA -0.289 3.882 4.170 0.001 0.000 0.245 282 I C 2.412 178.555 176.117 0.043 0.000 1.102 282 I CA 1.090 62.407 61.300 0.029 0.000 1.385 282 I CB -0.285 37.741 38.000 0.044 0.000 1.064 282 I HN 0.176 nan 8.210 nan 0.000 0.414 283 S N 0.523 116.244 115.700 0.034 0.000 2.368 283 S HA -0.171 4.300 4.470 0.001 0.000 0.225 283 S C 1.962 176.576 174.600 0.023 0.000 1.030 283 S CA 1.273 59.493 58.200 0.035 0.000 0.999 283 S CB -0.136 63.069 63.200 0.007 0.000 0.844 283 S HN 0.346 nan 8.310 nan 0.000 0.459 284 K N 0.217 120.622 120.400 0.008 0.000 2.097 284 K HA -0.051 4.270 4.320 0.001 0.000 0.206 284 K C 2.303 178.904 176.600 0.001 0.000 1.049 284 K CA 1.229 57.517 56.287 0.000 0.000 0.933 284 K CB -0.313 32.183 32.500 -0.007 0.000 0.717 284 K HN 0.354 nan 8.250 nan 0.000 0.442 285 C N 0.878 120.180 119.300 0.005 0.000 2.446 285 C HA -0.069 4.392 4.460 0.001 0.000 0.277 285 C C 2.182 177.173 174.990 0.002 0.000 1.275 285 C CA 0.781 59.800 59.018 0.002 0.000 1.727 285 C CB -1.208 26.533 27.740 0.002 0.000 2.010 285 C HN 0.544 nan 8.230 nan 0.000 0.486 286 N N 0.519 119.232 118.700 0.021 0.000 2.120 286 N HA -0.126 4.615 4.740 0.001 0.000 0.188 286 N C 1.573 177.075 175.510 -0.012 0.000 1.024 286 N CA 1.204 54.267 53.050 0.022 0.000 0.852 286 N CB -0.128 38.431 38.487 0.120 0.000 1.003 286 N HN 0.281 nan 8.380 nan 0.000 0.424 287 V N 1.268 121.182 119.914 0.001 0.000 2.358 287 V HA -0.166 3.955 4.120 0.001 0.000 0.246 287 V C 2.176 178.253 176.094 -0.029 0.000 1.047 287 V CA 1.781 64.071 62.300 -0.018 0.000 1.035 287 V CB -0.678 31.143 31.823 -0.003 0.000 0.658 287 V HN 0.361 nan 8.190 nan 0.000 0.452 288 A N -0.413 122.396 122.820 -0.018 0.000 2.168 288 A HA 0.279 4.600 4.320 0.001 0.000 0.215 288 A C 1.926 179.499 177.584 -0.020 0.000 1.152 288 A CA 1.010 53.038 52.037 -0.015 0.000 0.716 288 A CB -0.770 18.225 19.000 -0.009 0.000 0.794 288 A HN 1.286 nan 8.150 nan 0.000 0.465 289 G N -0.467 108.308 108.800 -0.040 0.000 2.273 289 G HA2 -0.264 3.697 3.960 0.001 0.000 0.280 289 G HA3 -0.264 3.697 3.960 0.001 0.000 0.280 289 G C -0.044 174.846 174.900 -0.016 0.000 1.047 289 G CA 0.784 45.859 45.100 -0.041 0.000 0.869 289 G HN 0.626 nan 8.290 nan 0.000 0.502 290 K N 0.328 120.722 120.400 -0.012 0.000 2.318 290 K HA 0.524 4.845 4.320 0.001 0.000 0.249 290 K C -2.560 174.039 176.600 -0.001 0.000 0.942 290 K CA -2.252 54.034 56.287 -0.001 0.000 0.808 290 K CB 2.748 35.249 32.500 0.002 0.000 1.189 290 K HN -0.034 nan 8.250 nan 0.000 0.428 291 P HA 0.012 nan 4.420 nan 0.000 0.268 291 P C -0.912 176.388 177.300 -0.001 0.000 1.204 291 P CA -0.257 62.847 63.100 0.007 0.000 0.768 291 P CB 0.865 32.579 31.700 0.023 0.000 0.842 292 V N 4.982 124.892 119.914 -0.006 0.000 2.709 292 V HA 0.512 4.633 4.120 0.001 0.000 0.308 292 V C -0.717 175.361 176.094 -0.026 0.000 1.062 292 V CA -0.957 61.333 62.300 -0.017 0.000 0.901 292 V CB 1.576 33.397 31.823 -0.005 0.000 1.003 292 V HN 0.295 nan 8.190 nan 0.000 0.425 293 I N 6.193 126.729 120.570 -0.056 0.000 2.433 293 I HA 0.461 4.632 4.170 0.001 0.000 0.292 293 I C -0.320 175.760 176.117 -0.061 0.000 1.001 293 I CA -0.389 60.869 61.300 -0.071 0.000 1.119 293 I CB 1.714 39.626 38.000 -0.146 0.000 1.289 293 I HN 0.622 nan 8.210 nan 0.000 0.438 294 C N 6.318 125.596 119.300 -0.037 0.000 2.285 294 C HA 0.864 5.325 4.460 0.001 0.000 0.335 294 C C 0.395 175.369 174.990 -0.027 0.000 1.267 294 C CA -0.122 58.880 59.018 -0.026 0.000 1.762 294 C CB -0.642 27.092 27.740 -0.011 0.000 2.365 294 C HN 0.859 nan 8.230 nan 0.000 0.527 295 A N 4.816 127.620 122.820 -0.026 0.000 2.401 295 A HA 0.920 5.240 4.320 0.001 0.000 0.310 295 A C -0.171 177.413 177.584 -0.001 0.000 1.075 295 A CA -0.141 51.885 52.037 -0.019 0.000 0.746 295 A CB 1.033 20.011 19.000 -0.036 0.000 1.277 295 A HN 1.335 nan 8.150 nan 0.000 0.425 296 T N 1.339 115.897 114.554 0.007 0.000 0.554 296 T HA -0.086 4.265 4.350 0.001 0.000 0.772 296 T C 0.104 174.812 174.700 0.012 0.000 0.992 296 T CA 0.489 62.598 62.100 0.016 0.000 4.069 296 T CB -1.132 67.750 68.868 0.023 0.000 2.299 296 T HN 1.487 nan 8.240 nan 0.000 0.397 297 Q N 0.092 119.899 119.800 0.011 0.000 2.452 297 Q HA -0.270 4.071 4.340 0.001 0.000 0.248 297 Q C 1.555 177.554 176.000 -0.000 0.000 0.874 297 Q CA 1.515 57.323 55.803 0.008 0.000 1.208 297 Q CB -1.078 27.670 28.738 0.016 0.000 1.569 297 Q HN 0.817 nan 8.270 nan 0.000 0.579 298 M N -0.489 119.109 119.600 -0.003 0.000 2.117 298 M HA -0.116 4.365 4.480 0.001 0.000 0.262 298 M C 1.065 177.354 176.300 -0.018 0.000 1.065 298 M CA 1.520 56.815 55.300 -0.008 0.000 1.114 298 M CB 0.168 32.765 32.600 -0.005 0.000 1.361 298 M HN 0.235 nan 8.290 nan 0.000 0.408 299 L N -0.390 120.817 121.223 -0.027 0.000 2.913 299 L HA 0.158 4.499 4.340 0.001 0.000 0.283 299 L C 1.030 177.861 176.870 -0.064 0.000 1.336 299 L CA -0.332 54.478 54.840 -0.050 0.000 0.815 299 L CB 0.462 42.490 42.059 -0.053 0.000 1.188 299 L HN 0.085 nan 8.230 nan 0.000 0.551 300 E N 0.944 121.118 120.200 -0.045 0.000 2.118 300 E HA -0.229 4.122 4.350 0.001 0.000 0.195 300 E C 2.089 178.637 176.600 -0.087 0.000 0.992 300 E CA 2.004 58.374 56.400 -0.051 0.000 0.804 300 E CB 0.277 29.982 29.700 0.008 0.000 0.741 300 E HN 0.538 nan 8.360 nan 0.000 0.458 301 S N -0.542 115.145 115.700 -0.021 0.000 2.474 301 S HA -0.084 4.387 4.470 0.001 0.000 0.235 301 S C 1.822 176.397 174.600 -0.042 0.000 0.997 301 S CA 0.816 59.051 58.200 0.059 0.000 0.949 301 S CB -0.179 63.064 63.200 0.071 0.000 0.766 301 S HN 0.286 nan 8.310 nan 0.000 0.517 302 M N 1.472 120.996 119.600 -0.127 0.000 2.618 302 M HA 0.051 4.532 4.480 0.001 0.000 0.240 302 M C 1.384 177.608 176.300 -0.126 0.000 1.123 302 M CA 0.516 55.750 55.300 -0.111 0.000 1.060 302 M CB -0.476 32.050 32.600 -0.123 0.000 1.535 302 M HN 0.381 nan 8.290 nan 0.000 0.507 303 T N -0.273 114.037 114.554 -0.408 0.000 2.833 303 T HA -0.142 4.209 4.350 0.001 0.000 0.269 303 T C 0.841 175.214 174.700 -0.545 0.000 1.054 303 T CA 1.410 63.138 62.100 -0.619 0.000 1.135 303 T CB -0.161 68.070 68.868 -1.061 0.000 0.869 303 T HN 0.520 nan 8.240 nan 0.000 0.466 304 Y N 0.041 120.415 120.300 0.123 0.000 2.432 304 Y HA 0.448 4.999 4.550 0.001 0.000 0.252 304 Y C 0.622 176.686 175.900 0.272 0.000 1.097 304 Y CA -1.218 56.973 58.100 0.151 0.000 1.250 304 Y CB -0.114 38.389 38.460 0.072 0.000 1.245 304 Y HN 0.082 nan 8.280 nan 0.000 0.522 305 N N 2.616 121.484 118.700 0.281 0.000 2.292 305 N HA 0.217 4.958 4.740 0.001 0.000 0.303 305 N C -2.261 173.040 175.510 -0.349 0.000 1.140 305 N CA -2.042 51.055 53.050 0.080 0.000 0.788 305 N CB 2.098 40.605 38.487 0.032 0.000 1.361 305 N HN -0.247 nan 8.380 nan 0.000 0.489 306 P HA -0.069 nan 4.420 nan 0.000 0.221 306 P C -0.247 176.821 177.300 -0.387 0.000 1.150 306 P CA 1.255 63.859 63.100 -0.827 0.000 0.800 306 P CB 0.560 31.938 31.700 -0.536 0.000 0.787 307 R N -0.217 120.112 120.500 -0.286 0.000 2.744 307 R HA 0.485 4.825 4.340 0.001 0.000 0.279 307 R C -2.541 173.573 176.300 -0.311 0.000 0.977 307 R CA -2.207 53.711 56.100 -0.304 0.000 0.906 307 R CB 2.061 32.272 30.300 -0.149 0.000 1.197 307 R HN -0.020 nan 8.270 nan 0.000 0.463 308 P HA 0.077 nan 4.420 nan 0.000 0.278 308 P C -0.496 176.705 177.300 -0.166 0.000 1.258 308 P CA -0.453 62.467 63.100 -0.299 0.000 0.811 308 P CB 0.917 32.379 31.700 -0.397 0.000 1.063 309 T N -0.504 113.990 114.554 -0.100 0.000 2.813 309 T HA 0.155 4.506 4.350 0.001 0.000 0.297 309 T C 1.504 176.177 174.700 -0.044 0.000 1.036 309 T CA -0.531 61.537 62.100 -0.055 0.000 1.044 309 T CB 0.434 69.285 68.868 -0.028 0.000 0.993 309 T HN 0.185 nan 8.240 nan 0.000 0.535 310 R N 1.493 121.979 120.500 -0.023 0.000 2.081 310 R HA -0.002 4.339 4.340 0.001 0.000 0.235 310 R C 2.721 179.019 176.300 -0.004 0.000 1.131 310 R CA 1.586 57.681 56.100 -0.009 0.000 0.960 310 R CB -1.853 28.447 30.300 -0.001 0.000 0.856 310 R HN 0.866 nan 8.270 nan 0.000 0.436 311 A N 1.338 124.155 122.820 -0.005 0.000 1.933 311 A HA -0.177 4.144 4.320 0.001 0.000 0.218 311 A C 2.077 179.658 177.584 -0.004 0.000 1.175 311 A CA 1.484 53.521 52.037 -0.000 0.000 0.628 311 A CB -0.318 18.683 19.000 0.000 0.000 0.814 311 A HN 0.379 nan 8.150 nan 0.000 0.444 312 E N -0.540 119.650 120.200 -0.017 0.000 2.047 312 E HA -0.110 4.241 4.350 0.001 0.000 0.191 312 E C 1.985 178.573 176.600 -0.021 0.000 0.987 312 E CA 1.245 57.630 56.400 -0.025 0.000 0.799 312 E CB -0.235 29.436 29.700 -0.047 0.000 0.752 312 E HN 0.365 nan 8.360 nan 0.000 0.449 313 V N 0.914 120.816 119.914 -0.020 0.000 2.295 313 V HA -0.281 3.840 4.120 0.001 0.000 0.246 313 V C 2.458 178.555 176.094 0.005 0.000 1.049 313 V CA 1.972 64.274 62.300 0.002 0.000 1.024 313 V CB -0.533 31.303 31.823 0.022 0.000 0.648 313 V HN 0.322 nan 8.190 nan 0.000 0.447 314 S N -0.079 115.628 115.700 0.012 0.000 2.383 314 S HA -0.288 4.182 4.470 0.001 0.000 0.229 314 S C 1.867 176.475 174.600 0.014 0.000 1.030 314 S CA 2.185 60.400 58.200 0.025 0.000 1.002 314 S CB -0.493 62.728 63.200 0.035 0.000 0.829 314 S HN 0.698 nan 8.310 nan 0.000 0.467 315 D N 0.380 120.782 120.400 0.005 0.000 2.097 315 D HA -0.083 4.558 4.640 0.001 0.000 0.195 315 D C 1.901 178.189 176.300 -0.021 0.000 0.989 315 D CA 1.514 55.514 54.000 -0.000 0.000 0.827 315 D CB -0.330 40.470 40.800 -0.000 0.000 0.966 315 D HN 0.330 nan 8.370 nan 0.000 0.456 316 V N 0.741 120.637 119.914 -0.030 0.000 2.343 316 V HA -0.198 3.923 4.120 0.001 0.000 0.247 316 V C 2.575 178.603 176.094 -0.110 0.000 1.051 316 V CA 1.728 63.999 62.300 -0.047 0.000 1.036 316 V CB -0.992 30.815 31.823 -0.026 0.000 0.654 316 V HN 0.323 nan 8.190 nan 0.000 0.451 317 A N 0.547 123.278 122.820 -0.147 0.000 1.877 317 A HA -0.222 4.099 4.320 0.001 0.000 0.216 317 A C 2.101 179.373 177.584 -0.519 0.000 1.186 317 A CA 1.969 53.797 52.037 -0.349 0.000 0.620 317 A CB -0.676 18.171 19.000 -0.254 0.000 0.822 317 A HN 0.590 nan 8.150 nan 0.000 0.443 318 N N 0.420 119.029 118.700 -0.153 0.000 2.223 318 N HA -0.114 4.627 4.740 0.001 0.000 0.185 318 N C 1.880 177.408 175.510 0.030 0.000 1.016 318 N CA 1.359 54.445 53.050 0.060 0.000 0.863 318 N CB -0.444 38.123 38.487 0.134 0.000 0.983 318 N HN 0.494 nan 8.380 nan 0.000 0.429 319 A N 0.926 123.730 122.820 -0.028 0.000 1.933 319 A HA -0.079 4.242 4.320 0.001 0.000 0.218 319 A C 2.526 180.110 177.584 -0.001 0.000 1.175 319 A CA 1.189 53.223 52.037 -0.004 0.000 0.628 319 A CB -0.671 18.320 19.000 -0.015 0.000 0.814 319 A HN 0.102 nan 8.150 nan 0.000 0.444 320 V N -0.973 118.891 119.914 -0.082 0.000 2.343 320 V HA -0.222 3.899 4.120 0.001 0.000 0.247 320 V C 2.311 178.454 176.094 0.082 0.000 1.051 320 V CA 1.904 64.167 62.300 -0.061 0.000 1.036 320 V CB -1.065 30.646 31.823 -0.185 0.000 0.654 320 V HN 0.528 nan 8.190 nan 0.000 0.451 321 F N 0.910 120.911 119.950 0.085 0.000 2.171 321 F HA -0.115 4.413 4.527 0.001 0.000 0.300 321 F C 2.232 178.077 175.800 0.075 0.000 1.090 321 F CA 1.065 59.116 58.000 0.084 0.000 1.293 321 F CB -1.396 37.631 39.000 0.046 0.000 1.013 321 F HN 0.254 nan 8.300 nan 0.000 0.486 322 N N -0.721 118.119 118.700 0.234 0.000 2.289 322 N HA -0.033 4.708 4.740 0.001 0.000 0.184 322 N C 1.449 177.069 175.510 0.183 0.000 1.016 322 N CA 0.809 53.946 53.050 0.144 0.000 0.872 322 N CB -0.165 38.380 38.487 0.096 0.000 0.973 322 N HN 0.396 nan 8.380 nan 0.000 0.433 323 G N -0.149 108.809 108.800 0.264 0.000 2.154 323 G HA2 -0.173 3.788 3.960 0.001 0.000 0.186 323 G HA3 -0.173 3.788 3.960 0.001 0.000 0.186 323 G C -0.004 174.991 174.900 0.158 0.000 1.000 323 G CA -0.068 45.243 45.100 0.353 0.000 0.664 323 G HN 0.474 nan 8.290 nan 0.000 0.513 324 A N 0.060 122.937 122.820 0.095 0.000 2.477 324 A HA 0.564 4.885 4.320 0.001 0.000 0.246 324 A C 1.085 178.681 177.584 0.019 0.000 1.078 324 A CA 1.042 53.104 52.037 0.042 0.000 0.770 324 A CB 0.219 19.234 19.000 0.024 0.000 1.011 324 A HN 0.293 nan 8.150 nan 0.000 0.494 325 D N 0.353 120.757 120.400 0.008 0.000 2.117 325 D HA -0.021 4.619 4.640 0.001 0.000 0.197 325 D C 0.131 176.437 176.300 0.010 0.000 0.987 325 D CA 1.622 55.624 54.000 0.004 0.000 0.829 325 D CB -0.007 40.796 40.800 0.005 0.000 0.961 325 D HN 0.552 nan 8.370 nan 0.000 0.460 326 C N -0.041 119.262 119.300 0.006 0.000 2.712 326 C HA 0.689 5.150 4.460 0.001 0.000 0.308 326 C C -0.192 174.798 174.990 -0.000 0.000 1.201 326 C CA -1.222 57.801 59.018 0.009 0.000 1.554 326 C CB 1.480 29.230 27.740 0.016 0.000 2.117 326 C HN 0.128 nan 8.230 nan 0.000 0.480 327 V N 0.687 120.605 119.914 0.006 0.000 2.919 327 V HA 0.834 4.955 4.120 0.001 0.000 0.316 327 V C -0.575 175.528 176.094 0.014 0.000 1.077 327 V CA -0.691 61.610 62.300 0.002 0.000 0.977 327 V CB 1.775 33.597 31.823 -0.001 0.000 1.039 327 V HN 1.006 nan 8.190 nan 0.000 0.441 328 M N 2.854 122.461 119.600 0.012 0.000 2.518 328 M HA 0.743 5.224 4.480 0.001 0.000 0.300 328 M C -2.123 174.196 176.300 0.030 0.000 1.175 328 M CA -0.627 54.689 55.300 0.027 0.000 0.890 328 M CB 2.248 34.855 32.600 0.013 0.000 1.710 328 M HN 0.743 nan 8.290 nan 0.000 0.453 329 L N 2.443 123.693 121.223 0.046 0.000 2.362 329 L HA 0.550 4.891 4.340 0.001 0.000 0.275 329 L C -0.197 176.703 176.870 0.049 0.000 0.998 329 L CA -0.284 54.579 54.840 0.038 0.000 0.820 329 L CB 2.185 44.266 42.059 0.037 0.000 1.270 329 L HN 0.852 nan 8.230 nan 0.000 0.415 330 S N 1.067 116.788 115.700 0.035 0.000 3.026 330 S HA 0.152 4.623 4.470 0.001 0.000 0.169 330 S C 1.571 176.184 174.600 0.023 0.000 0.680 330 S CA 0.471 58.698 58.200 0.044 0.000 0.826 330 S CB -0.093 63.134 63.200 0.046 0.000 0.779 330 S HN 0.866 nan 8.310 nan 0.000 0.664 331 G N 1.239 110.039 108.800 -0.000 0.000 2.422 331 G HA2 -0.138 3.823 3.960 0.001 0.000 0.218 331 G HA3 -0.138 3.823 3.960 0.001 0.000 0.218 331 G C 1.037 175.905 174.900 -0.054 0.000 1.140 331 G CA 0.874 45.957 45.100 -0.029 0.000 0.775 331 G HN 0.498 nan 8.290 nan 0.000 0.545 332 E N 0.249 120.414 120.200 -0.059 0.000 2.160 332 E HA -0.095 4.255 4.350 0.001 0.000 0.195 332 E C 2.714 179.297 176.600 -0.028 0.000 0.991 332 E CA 1.751 58.108 56.400 -0.072 0.000 0.810 332 E CB -0.229 29.439 29.700 -0.053 0.000 0.742 332 E HN 0.604 nan 8.360 nan 0.000 0.466 333 T N -2.848 111.705 114.554 -0.001 0.000 3.023 333 T HA 0.357 4.708 4.350 0.001 0.000 0.249 333 T C 1.974 176.686 174.700 0.020 0.000 1.050 333 T CA 0.266 62.376 62.100 0.018 0.000 1.088 333 T CB 0.119 69.010 68.868 0.039 0.000 0.946 333 T HN 0.130 nan 8.240 nan 0.000 0.480 334 A N 3.318 126.148 122.820 0.017 0.000 1.873 334 A HA 0.043 4.364 4.320 0.001 0.000 0.215 334 A C 2.188 179.770 177.584 -0.004 0.000 1.186 334 A CA 1.549 53.597 52.037 0.018 0.000 0.616 334 A CB -0.341 18.663 19.000 0.007 0.000 0.823 334 A HN 0.724 nan 8.150 nan 0.000 0.442 335 K N -1.272 119.112 120.400 -0.026 0.000 2.477 335 K HA 0.307 4.628 4.320 0.001 0.000 0.208 335 K C 0.683 177.259 176.600 -0.039 0.000 1.117 335 K CA 0.244 56.513 56.287 -0.031 0.000 1.039 335 K CB 0.152 32.631 32.500 -0.036 0.000 0.937 335 K HN 0.248 nan 8.250 nan 0.000 0.570 336 G N 1.505 110.271 108.800 -0.056 0.000 2.606 336 G HA2 0.072 4.033 3.960 0.001 0.000 0.252 336 G HA3 0.072 4.033 3.960 0.001 0.000 0.252 336 G C 0.169 175.009 174.900 -0.099 0.000 1.206 336 G CA -0.538 44.510 45.100 -0.086 0.000 0.861 336 G HN 0.064 nan 8.290 nan 0.000 0.561 337 K N -0.411 119.893 120.400 -0.160 0.000 2.097 337 K HA -0.056 4.265 4.320 0.001 0.000 0.205 337 K C -0.148 176.128 176.600 -0.539 0.000 1.050 337 K CA 1.221 57.267 56.287 -0.403 0.000 0.938 337 K CB -0.020 32.116 32.500 -0.608 0.000 0.718 337 K HN 0.577 nan 8.250 nan 0.000 0.442 338 Y N -0.479 119.812 120.300 -0.015 0.000 2.562 338 Y HA 0.212 4.763 4.550 0.002 0.000 0.363 338 Y C -2.113 173.788 175.900 0.003 0.000 0.991 338 Y CA -2.166 55.935 58.100 0.002 0.000 1.121 338 Y CB 1.041 39.505 38.460 0.007 0.000 1.159 338 Y HN 0.035 nan 8.280 nan 0.000 0.651 339 P HA -0.133 nan 4.420 nan 0.000 0.215 339 P C 1.123 178.473 177.300 0.083 0.000 1.157 339 P CA 1.555 64.696 63.100 0.068 0.000 0.863 339 P CB 0.507 32.230 31.700 0.038 0.000 0.787 340 N N -0.140 118.612 118.700 0.087 0.000 2.120 340 N HA -0.149 4.592 4.740 0.001 0.000 0.188 340 N C 1.620 177.189 175.510 0.098 0.000 1.024 340 N CA 1.296 54.395 53.050 0.081 0.000 0.852 340 N CB -0.674 37.856 38.487 0.071 0.000 1.003 340 N HN 0.229 nan 8.380 nan 0.000 0.424 341 E N 0.695 120.976 120.200 0.134 0.000 2.110 341 E HA -0.074 4.277 4.350 0.001 0.000 0.193 341 E C 1.995 178.697 176.600 0.170 0.000 0.988 341 E CA 0.308 56.796 56.400 0.147 0.000 0.804 341 E CB -0.422 29.367 29.700 0.148 0.000 0.745 341 E HN 0.055 nan 8.360 nan 0.000 0.458 342 V N 0.007 120.002 119.914 0.135 0.000 2.343 342 V HA -0.218 3.902 4.120 0.001 0.000 0.247 342 V C 2.002 178.164 176.094 0.113 0.000 1.051 342 V CA 1.419 63.782 62.300 0.105 0.000 1.036 342 V CB -0.096 31.759 31.823 0.053 0.000 0.654 342 V HN 0.150 nan 8.190 nan 0.000 0.451 343 V N -0.321 119.647 119.914 0.091 0.000 2.343 343 V HA -0.315 3.806 4.120 0.001 0.000 0.247 343 V C 2.448 178.588 176.094 0.076 0.000 1.051 343 V CA 2.469 64.814 62.300 0.076 0.000 1.036 343 V CB -0.710 31.151 31.823 0.063 0.000 0.654 343 V HN 0.604 nan 8.190 nan 0.000 0.451 344 Q N -1.546 118.300 119.800 0.076 0.000 2.124 344 Q HA -0.216 4.125 4.340 0.001 0.000 0.202 344 Q C 2.181 178.192 176.000 0.019 0.000 0.977 344 Q CA 2.030 57.854 55.803 0.035 0.000 0.850 344 Q CB -0.231 28.516 28.738 0.014 0.000 0.901 344 Q HN 0.707 nan 8.270 nan 0.000 0.429 345 Y N 0.125 120.425 120.300 -0.001 0.000 2.181 345 Y HA -0.223 4.328 4.550 0.002 0.000 0.288 345 Y C 2.266 178.159 175.900 -0.012 0.000 1.146 345 Y CA 1.540 59.634 58.100 -0.010 0.000 1.164 345 Y CB -0.044 38.405 38.460 -0.019 0.000 0.982 345 Y HN 0.126 nan 8.280 nan 0.000 0.515 346 M N -1.021 118.677 119.600 0.165 0.000 2.117 346 M HA -0.198 4.283 4.480 0.001 0.000 0.262 346 M C 2.286 178.613 176.300 0.045 0.000 1.065 346 M CA 1.851 57.204 55.300 0.087 0.000 1.114 346 M CB -0.147 32.490 32.600 0.061 0.000 1.361 346 M HN 0.276 nan 8.290 nan 0.000 0.408 347 A N 0.291 123.131 122.820 0.034 0.000 1.902 347 A HA -0.220 4.101 4.320 0.001 0.000 0.217 347 A C 2.138 179.717 177.584 -0.008 0.000 1.181 347 A CA 1.925 53.969 52.037 0.012 0.000 0.623 347 A CB -0.773 18.236 19.000 0.015 0.000 0.818 347 A HN 0.613 nan 8.150 nan 0.000 0.443 348 R N -0.215 120.271 120.500 -0.023 0.000 2.081 348 R HA -0.072 4.269 4.340 0.001 0.000 0.235 348 R C 1.894 178.178 176.300 -0.027 0.000 1.131 348 R CA 1.759 57.830 56.100 -0.048 0.000 0.960 348 R CB -0.407 29.819 30.300 -0.124 0.000 0.856 348 R HN 0.531 nan 8.270 nan 0.000 0.436 349 I N 0.196 120.767 120.570 0.001 0.000 2.286 349 I HA -0.341 3.830 4.170 0.001 0.000 0.248 349 I C 2.460 178.550 176.117 -0.044 0.000 1.115 349 I CA 0.924 62.224 61.300 -0.001 0.000 1.392 349 I CB -0.274 37.743 38.000 0.029 0.000 1.065 349 I HN 0.323 nan 8.210 nan 0.000 0.418 350 C N 0.100 119.374 119.300 -0.043 0.000 2.429 350 C HA -0.131 4.330 4.460 0.001 0.000 0.277 350 C C 2.682 177.632 174.990 -0.068 0.000 1.262 350 C CA 0.374 59.352 59.018 -0.066 0.000 1.733 350 C CB -0.828 26.887 27.740 -0.042 0.000 2.010 350 C HN 0.455 nan 8.230 nan 0.000 0.483 351 L N 1.281 122.473 121.223 -0.052 0.000 2.056 351 L HA -0.077 4.264 4.340 0.001 0.000 0.207 351 L C 2.473 179.322 176.870 -0.036 0.000 1.078 351 L CA 1.986 56.791 54.840 -0.057 0.000 0.749 351 L CB -1.087 40.946 42.059 -0.044 0.000 0.901 351 L HN 0.306 nan 8.230 nan 0.000 0.433 352 E N -0.347 119.840 120.200 -0.020 0.000 2.077 352 E HA -0.160 4.191 4.350 0.001 0.000 0.193 352 E C 2.141 178.760 176.600 0.033 0.000 0.989 352 E CA 1.499 57.905 56.400 0.010 0.000 0.800 352 E CB -0.282 29.425 29.700 0.013 0.000 0.746 352 E HN 0.437 nan 8.360 nan 0.000 0.452 353 A N 0.461 123.263 122.820 -0.030 0.000 1.972 353 A HA -0.228 4.093 4.320 0.001 0.000 0.219 353 A C 2.211 179.855 177.584 0.100 0.000 1.169 353 A CA 1.683 53.678 52.037 -0.070 0.000 0.635 353 A CB -0.643 18.064 19.000 -0.488 0.000 0.810 353 A HN 0.421 nan 8.150 nan 0.000 0.446 354 Q N -0.134 119.682 119.800 0.027 0.000 2.124 354 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 354 Q C 2.175 178.229 176.000 0.089 0.000 0.977 354 Q CA 1.703 57.531 55.803 0.041 0.000 0.850 354 Q CB -0.107 28.589 28.738 -0.069 0.000 0.901 354 Q HN 0.657 nan 8.270 nan 0.000 0.429 355 S N 0.366 116.117 115.700 0.085 0.000 2.368 355 S HA -0.138 4.333 4.470 0.001 0.000 0.225 355 S C 1.920 176.623 174.600 0.171 0.000 1.030 355 S CA 1.048 59.312 58.200 0.106 0.000 0.999 355 S CB -0.253 62.998 63.200 0.085 0.000 0.844 355 S HN 0.552 nan 8.310 nan 0.000 0.459 356 A N 0.579 123.539 122.820 0.232 0.000 2.121 356 A HA 0.165 4.486 4.320 0.001 0.000 0.218 356 A C 0.879 178.666 177.584 0.340 0.000 1.154 356 A CA 0.335 52.541 52.037 0.281 0.000 0.679 356 A CB -0.395 18.805 19.000 0.333 0.000 0.795 356 A HN 0.383 nan 8.150 nan 0.000 0.458 357 L N 0.794 122.227 121.223 0.349 0.000 2.455 357 L HA 0.156 4.496 4.340 0.001 0.000 0.272 357 L C 0.073 177.090 176.870 0.244 0.000 1.174 357 L CA -0.017 55.017 54.840 0.324 0.000 0.869 357 L CB 0.200 42.456 42.059 0.328 0.000 1.130 357 L HN 0.224 nan 8.230 nan 0.000 0.474 358 N N 3.090 121.868 118.700 0.131 0.000 2.602 358 N HA 0.073 4.814 4.740 0.001 0.000 0.238 358 N C 0.604 176.243 175.510 0.215 0.000 1.084 358 N CA 0.003 53.087 53.050 0.057 0.000 0.952 358 N CB 0.597 38.913 38.487 -0.286 0.000 1.244 358 N HN 0.658 nan 8.380 nan 0.000 0.512 359 E N 1.206 121.584 120.200 0.296 0.000 2.153 359 E HA -0.197 4.153 4.350 0.001 0.000 0.194 359 E C 0.841 177.666 176.600 0.376 0.000 0.988 359 E CA 1.104 57.722 56.400 0.364 0.000 0.811 359 E CB -0.064 29.858 29.700 0.370 0.000 0.746 359 E HN 0.605 nan 8.360 nan 0.000 0.466 360 Y N 0.355 120.729 120.300 0.123 0.000 2.163 360 Y HA -0.219 4.332 4.550 0.002 0.000 0.288 360 Y C 2.062 177.960 175.900 -0.003 0.000 1.136 360 Y CA 1.112 59.120 58.100 -0.152 0.000 1.147 360 Y CB -0.286 38.030 38.460 -0.240 0.000 0.987 360 Y HN -0.140 nan 8.280 nan 0.000 0.509 361 V N -0.233 119.685 119.914 0.006 0.000 2.343 361 V HA -0.310 3.811 4.120 0.001 0.000 0.247 361 V C 2.237 178.308 176.094 -0.039 0.000 1.051 361 V CA 2.101 64.345 62.300 -0.094 0.000 1.036 361 V CB -0.901 30.869 31.823 -0.088 0.000 0.654 361 V HN 0.486 nan 8.190 nan 0.000 0.451 362 F N -0.506 119.417 119.950 -0.045 0.000 2.126 362 F HA -0.271 4.257 4.527 0.001 0.000 0.299 362 F C 2.217 178.038 175.800 0.035 0.000 1.096 362 F CA 1.913 59.915 58.000 0.003 0.000 1.255 362 F CB -0.177 38.862 39.000 0.064 0.000 0.997 362 F HN 0.273 nan 8.300 nan 0.000 0.479 363 F N 1.537 121.560 119.950 0.121 0.000 2.102 363 F HA -0.242 4.286 4.527 0.001 0.000 0.298 363 F C 2.163 177.958 175.800 -0.007 0.000 1.105 363 F CA 1.778 59.812 58.000 0.057 0.000 1.239 363 F CB -1.073 37.916 39.000 -0.018 0.000 0.991 363 F HN -0.119 nan 8.300 nan 0.000 0.474 364 N N 0.330 118.731 118.700 -0.498 0.000 2.166 364 N HA -0.145 4.596 4.740 0.001 0.000 0.186 364 N C 2.022 177.365 175.510 -0.280 0.000 1.019 364 N CA 1.573 54.291 53.050 -0.554 0.000 0.856 364 N CB -0.620 37.559 38.487 -0.514 0.000 0.993 364 N HN 0.301 nan 8.380 nan 0.000 0.426 365 S N 1.207 116.811 115.700 -0.159 0.000 2.368 365 S HA -0.005 4.466 4.470 0.001 0.000 0.225 365 S C 2.139 176.707 174.600 -0.054 0.000 1.030 365 S CA 0.600 58.739 58.200 -0.101 0.000 0.999 365 S CB -0.152 62.986 63.200 -0.103 0.000 0.844 365 S HN 0.228 nan 8.310 nan 0.000 0.459 366 I N 1.522 122.096 120.570 0.006 0.000 2.226 366 I HA -0.190 3.981 4.170 0.001 0.000 0.245 366 I C 2.475 178.593 176.117 0.001 0.000 1.100 366 I CA 1.194 62.499 61.300 0.008 0.000 1.374 366 I CB -0.164 37.837 38.000 0.001 0.000 1.057 366 I HN 0.207 nan 8.210 nan 0.000 0.413 367 K N 1.114 121.516 120.400 0.004 0.000 2.057 367 K HA -0.197 4.124 4.320 0.001 0.000 0.207 367 K C 2.018 178.603 176.600 -0.025 0.000 1.049 367 K CA 1.316 57.626 56.287 0.038 0.000 0.931 367 K CB 0.070 32.434 32.500 -0.225 0.000 0.714 367 K HN 0.148 nan 8.250 nan 0.000 0.440 368 K N 0.485 120.840 120.400 -0.075 0.000 2.209 368 K HA -0.125 4.196 4.320 0.001 0.000 0.204 368 K C 1.932 178.515 176.600 -0.029 0.000 1.048 368 K CA 0.982 57.232 56.287 -0.061 0.000 0.940 368 K CB -0.087 32.368 32.500 -0.076 0.000 0.729 368 K HN 0.280 nan 8.250 nan 0.000 0.451 369 L N 1.309 122.523 121.223 -0.015 0.000 2.554 369 L HA -0.031 4.310 4.340 0.001 0.000 0.226 369 L C 0.588 177.475 176.870 0.028 0.000 1.137 369 L CA 0.176 55.017 54.840 0.001 0.000 0.863 369 L CB -0.035 42.020 42.059 -0.006 0.000 0.985 369 L HN 0.066 nan 8.230 nan 0.000 0.451 370 Q N -0.133 119.694 119.800 0.045 0.000 2.293 370 Q HA 0.099 4.440 4.340 0.001 0.000 0.251 370 Q C -0.409 175.640 176.000 0.082 0.000 0.930 370 Q CA -0.209 55.642 55.803 0.081 0.000 0.893 370 Q CB 0.788 29.596 28.738 0.117 0.000 1.215 370 Q HN 0.167 nan 8.270 nan 0.000 0.425 371 H N 1.451 120.527 119.070 0.011 0.000 2.848 371 H HA 0.208 4.764 4.556 0.001 0.000 0.341 371 H C -0.932 174.398 175.328 0.003 0.000 1.060 371 H CA 0.023 56.073 56.048 0.003 0.000 1.444 371 H CB 0.350 30.113 29.762 0.000 0.000 1.446 371 H HN 0.307 nan 8.280 nan 0.000 0.583 372 I N 7.790 127.979 120.570 -0.636 0.000 2.436 372 I HA 0.259 4.430 4.170 0.001 0.000 0.289 372 I C -1.829 173.945 176.117 -0.572 0.000 1.010 372 I CA -2.743 58.286 61.300 -0.453 0.000 1.098 372 I CB 1.181 39.052 38.000 -0.216 0.000 1.266 372 I HN 0.752 nan 8.210 nan 0.000 0.434 373 P HA 0.489 nan 4.420 nan 0.000 0.297 373 P C -0.289 176.964 177.300 -0.078 0.000 1.303 373 P CA -0.279 62.722 63.100 -0.165 0.000 0.753 373 P CB 1.196 32.856 31.700 -0.065 0.000 1.281 374 M N -1.370 118.240 119.600 0.016 0.000 2.599 374 M HA 0.230 4.711 4.480 0.001 0.000 0.173 374 M C 0.208 176.532 176.300 0.040 0.000 2.093 374 M CA -0.121 55.236 55.300 0.094 0.000 1.278 374 M CB -0.038 32.613 32.600 0.086 0.000 1.354 374 M HN 0.441 nan 8.290 nan 0.000 0.619 375 S N -0.205 115.499 115.700 0.007 0.000 2.535 375 S HA 0.724 5.195 4.470 0.001 0.000 0.272 375 S C 0.131 174.699 174.600 -0.053 0.000 1.149 375 S CA -0.288 57.886 58.200 -0.044 0.000 0.888 375 S CB 1.758 64.922 63.200 -0.060 0.000 1.110 375 S HN 0.493 nan 8.310 nan 0.000 0.463 376 A N 2.375 125.141 122.820 -0.091 0.000 1.892 376 A HA -0.160 4.161 4.320 0.001 0.000 0.218 376 A C 1.871 179.463 177.584 0.014 0.000 1.188 376 A CA 2.332 54.348 52.037 -0.035 0.000 0.631 376 A CB -1.257 17.737 19.000 -0.011 0.000 0.822 376 A HN 1.023 nan 8.150 nan 0.000 0.447 377 D N -0.257 120.137 120.400 -0.010 0.000 2.144 377 D HA -0.220 4.421 4.640 0.001 0.000 0.199 377 D C 1.711 178.038 176.300 0.045 0.000 0.984 377 D CA 1.503 55.553 54.000 0.083 0.000 0.834 377 D CB -0.773 40.106 40.800 0.131 0.000 0.955 377 D HN 0.691 nan 8.370 nan 0.000 0.465 378 E N 0.916 121.132 120.200 0.026 0.000 2.077 378 E HA -0.104 4.247 4.350 0.001 0.000 0.193 378 E C 2.143 178.730 176.600 -0.022 0.000 0.989 378 E CA 1.268 57.697 56.400 0.049 0.000 0.800 378 E CB -0.174 29.577 29.700 0.085 0.000 0.746 378 E HN 0.293 nan 8.360 nan 0.000 0.452 379 A N 0.234 123.037 122.820 -0.028 0.000 1.933 379 A HA -0.129 4.192 4.320 0.001 0.000 0.218 379 A C 2.401 179.945 177.584 -0.067 0.000 1.175 379 A CA 1.348 53.350 52.037 -0.058 0.000 0.628 379 A CB -0.622 18.357 19.000 -0.034 0.000 0.814 379 A HN 0.236 nan 8.150 nan 0.000 0.444 380 V N -0.815 119.078 119.914 -0.034 0.000 2.295 380 V HA -0.319 3.802 4.120 0.001 0.000 0.246 380 V C 2.666 178.724 176.094 -0.059 0.000 1.049 380 V CA 2.153 64.432 62.300 -0.034 0.000 1.024 380 V CB -0.877 30.946 31.823 -0.000 0.000 0.648 380 V HN 0.732 nan 8.190 nan 0.000 0.447 381 C N -0.457 118.808 119.300 -0.057 0.000 2.446 381 C HA -0.125 4.336 4.460 0.001 0.000 0.277 381 C C 3.282 178.159 174.990 -0.189 0.000 1.275 381 C CA 1.428 60.407 59.018 -0.066 0.000 1.727 381 C CB -0.980 26.777 27.740 0.029 0.000 2.010 381 C HN 0.705 nan 8.230 nan 0.000 0.486 382 S N 1.592 117.043 115.700 -0.415 0.000 2.355 382 S HA -0.174 4.297 4.470 0.001 0.000 0.222 382 S C 2.083 176.623 174.600 -0.100 0.000 1.031 382 S CA 2.437 60.297 58.200 -0.567 0.000 0.993 382 S CB -0.664 62.066 63.200 -0.783 0.000 0.859 382 S HN 0.723 nan 8.310 nan 0.000 0.453 383 S N 1.670 117.323 115.700 -0.078 0.000 2.399 383 S HA 0.085 4.556 4.470 0.001 0.000 0.231 383 S C 2.114 176.703 174.600 -0.018 0.000 1.022 383 S CA 1.199 59.397 58.200 -0.002 0.000 0.983 383 S CB -0.985 62.203 63.200 -0.021 0.000 0.803 383 S HN 0.827 nan 8.310 nan 0.000 0.480 384 A N 1.248 124.032 122.820 -0.061 0.000 1.933 384 A HA 0.080 4.401 4.320 0.001 0.000 0.218 384 A C 2.407 179.934 177.584 -0.094 0.000 1.175 384 A CA 1.625 53.618 52.037 -0.073 0.000 0.628 384 A CB -1.081 17.873 19.000 -0.077 0.000 0.814 384 A HN 0.500 nan 8.150 nan 0.000 0.444 385 V N 1.227 121.062 119.914 -0.131 0.000 2.407 385 V HA -0.269 3.852 4.120 0.001 0.000 0.248 385 V C 2.474 178.430 176.094 -0.229 0.000 1.055 385 V CA 2.067 64.218 62.300 -0.247 0.000 1.049 385 V CB -0.989 30.611 31.823 -0.371 0.000 0.662 385 V HN 0.787 nan 8.190 nan 0.000 0.455 386 N N 0.013 118.670 118.700 -0.071 0.000 2.166 386 N HA -0.177 4.564 4.740 0.001 0.000 0.186 386 N C 1.944 177.534 175.510 0.133 0.000 1.019 386 N CA 1.710 54.874 53.050 0.190 0.000 0.856 386 N CB 0.037 38.727 38.487 0.338 0.000 0.993 386 N HN 0.426 nan 8.380 nan 0.000 0.426 387 S N 0.050 115.767 115.700 0.029 0.000 2.382 387 S HA -0.062 4.409 4.470 0.001 0.000 0.228 387 S C 2.062 176.637 174.600 -0.042 0.000 1.027 387 S CA 0.761 58.951 58.200 -0.017 0.000 0.991 387 S CB -0.105 63.058 63.200 -0.061 0.000 0.823 387 S HN 0.197 nan 8.310 nan 0.000 0.469 388 V N 0.389 120.248 119.914 -0.091 0.000 2.295 388 V HA -0.187 3.934 4.120 0.001 0.000 0.246 388 V C 1.883 177.890 176.094 -0.145 0.000 1.049 388 V CA 1.673 63.877 62.300 -0.160 0.000 1.024 388 V CB -0.835 30.813 31.823 -0.291 0.000 0.648 388 V HN 0.490 nan 8.190 nan 0.000 0.447 389 Y N 0.599 120.888 120.300 -0.018 0.000 2.181 389 Y HA -0.183 4.367 4.550 0.001 0.000 0.288 389 Y C 2.577 178.493 175.900 0.026 0.000 1.146 389 Y CA 1.695 59.816 58.100 0.035 0.000 1.164 389 Y CB -0.367 38.188 38.460 0.158 0.000 0.982 389 Y HN 0.301 nan 8.280 nan 0.000 0.515 390 E N -0.761 119.540 120.200 0.169 0.000 2.110 390 E HA -0.166 4.185 4.350 0.001 0.000 0.193 390 E C 1.985 178.615 176.600 0.050 0.000 0.988 390 E CA 1.831 58.288 56.400 0.095 0.000 0.804 390 E CB -0.117 29.626 29.700 0.072 0.000 0.745 390 E HN 0.539 nan 8.360 nan 0.000 0.458 391 T N -2.280 112.287 114.554 0.022 0.000 3.081 391 T HA 0.140 4.491 4.350 0.001 0.000 0.250 391 T C 0.562 175.347 174.700 0.142 0.000 1.100 391 T CA -0.097 62.031 62.100 0.046 0.000 1.038 391 T CB 0.041 68.846 68.868 -0.105 0.000 0.962 391 T HN -0.002 nan 8.240 nan 0.000 0.516 392 K N 0.949 121.397 120.400 0.079 0.000 3.096 392 K HA -0.108 4.213 4.320 0.001 0.000 0.266 392 K C 0.177 176.818 176.600 0.068 0.000 1.043 392 K CA 0.038 56.360 56.287 0.059 0.000 0.758 392 K CB -2.039 30.501 32.500 0.067 0.000 1.260 392 K HN 0.727 nan 8.250 nan 0.000 0.481 393 A N 1.169 124.020 122.820 0.052 0.000 2.477 393 A HA 0.067 4.388 4.320 0.001 0.000 0.246 393 A C 1.025 178.600 177.584 -0.014 0.000 1.078 393 A CA 0.129 52.204 52.037 0.063 0.000 0.770 393 A CB 0.324 19.345 19.000 0.034 0.000 1.011 393 A HN 0.333 nan 8.150 nan 0.000 0.494 394 K N 0.793 121.195 120.400 0.003 0.000 2.374 394 K HA 0.381 4.702 4.320 0.001 0.000 0.196 394 K C 0.296 176.859 176.600 -0.063 0.000 1.023 394 K CA 0.936 57.207 56.287 -0.027 0.000 1.103 394 K CB 0.276 32.779 32.500 0.006 0.000 0.848 394 K HN 0.788 nan 8.250 nan 0.000 0.528 395 A N 0.880 123.670 122.820 -0.049 0.000 2.599 395 A HA 0.740 5.061 4.320 0.001 0.000 0.290 395 A C -1.730 175.825 177.584 -0.049 0.000 1.101 395 A CA -0.707 51.292 52.037 -0.063 0.000 0.674 395 A CB 1.526 20.542 19.000 0.027 0.000 1.277 395 A HN 0.102 nan 8.150 nan 0.000 0.419 396 M N 0.755 120.325 119.600 -0.051 0.000 2.446 396 M HA 0.605 5.085 4.480 0.001 0.000 0.294 396 M C -1.854 174.443 176.300 -0.005 0.000 1.158 396 M CA -0.591 54.685 55.300 -0.040 0.000 0.899 396 M CB 2.459 35.014 32.600 -0.074 0.000 1.687 396 M HN 0.514 nan 8.290 nan 0.000 0.455 397 V N 3.901 123.819 119.914 0.008 0.000 2.588 397 V HA 0.729 4.849 4.120 0.001 0.000 0.304 397 V C -0.947 175.160 176.094 0.023 0.000 1.042 397 V CA -0.726 61.589 62.300 0.024 0.000 0.877 397 V CB 1.968 33.817 31.823 0.044 0.000 0.996 397 V HN 0.674 nan 8.190 nan 0.000 0.425 398 V N 4.019 123.945 119.914 0.019 0.000 2.823 398 V HA 0.616 4.737 4.120 0.001 0.000 0.312 398 V C -0.876 175.233 176.094 0.024 0.000 1.072 398 V CA -0.987 61.330 62.300 0.028 0.000 0.937 398 V CB 1.979 33.815 31.823 0.021 0.000 1.013 398 V HN 0.545 nan 8.190 nan 0.000 0.430 399 L N 2.889 124.136 121.223 0.041 0.000 2.257 399 L HA 0.698 5.039 4.340 0.001 0.000 0.290 399 L C 0.314 177.197 176.870 0.021 0.000 1.044 399 L CA 0.608 55.454 54.840 0.010 0.000 0.810 399 L CB 1.116 43.172 42.059 -0.005 0.000 1.193 399 L HN 0.875 nan 8.230 nan 0.000 0.425 400 S N 2.618 118.328 115.700 0.018 0.000 2.614 400 S HA 0.490 4.961 4.470 0.001 0.000 0.288 400 S C 0.442 175.064 174.600 0.038 0.000 1.137 400 S CA -0.705 57.514 58.200 0.031 0.000 0.992 400 S CB 0.709 63.931 63.200 0.037 0.000 1.026 400 S HN 0.632 nan 8.310 nan 0.000 0.486 401 N N 2.246 120.970 118.700 0.041 0.000 2.349 401 N HA -0.050 4.691 4.740 0.001 0.000 0.180 401 N C 1.907 177.449 175.510 0.054 0.000 1.024 401 N CA 1.580 54.663 53.050 0.054 0.000 0.869 401 N CB -0.718 37.798 38.487 0.049 0.000 1.022 401 N HN 0.787 nan 8.380 nan 0.000 0.433 402 T N -2.067 112.514 114.554 0.045 0.000 2.995 402 T HA 0.135 4.486 4.350 0.001 0.000 0.269 402 T C 1.555 176.279 174.700 0.040 0.000 1.091 402 T CA 1.496 63.621 62.100 0.041 0.000 1.128 402 T CB -0.148 68.743 68.868 0.038 0.000 0.891 402 T HN 0.370 nan 8.240 nan 0.000 0.492 403 G N 1.158 109.983 108.800 0.042 0.000 2.195 403 G HA2 -0.320 3.641 3.960 0.001 0.000 0.246 403 G HA3 -0.320 3.641 3.960 0.001 0.000 0.246 403 G C 0.984 175.908 174.900 0.040 0.000 0.984 403 G CA 0.533 45.656 45.100 0.039 0.000 0.633 403 G HN 0.574 nan 8.290 nan 0.000 0.525 404 R N 0.726 121.252 120.500 0.043 0.000 2.080 404 R HA -0.033 4.308 4.340 0.001 0.000 0.236 404 R C 2.825 179.157 176.300 0.054 0.000 1.137 404 R CA 2.183 58.310 56.100 0.046 0.000 0.943 404 R CB -0.422 29.907 30.300 0.048 0.000 0.846 404 R HN 0.418 nan 8.270 nan 0.000 0.431 405 S N 0.168 115.903 115.700 0.058 0.000 2.383 405 S HA -0.174 4.297 4.470 0.001 0.000 0.229 405 S C 1.924 176.557 174.600 0.056 0.000 1.030 405 S CA 1.242 59.480 58.200 0.063 0.000 1.002 405 S CB -0.192 63.044 63.200 0.060 0.000 0.829 405 S HN 0.536 nan 8.310 nan 0.000 0.467 406 A N 1.773 124.620 122.820 0.045 0.000 1.902 406 A HA -0.100 4.221 4.320 0.001 0.000 0.217 406 A C 2.147 179.756 177.584 0.042 0.000 1.181 406 A CA 1.242 53.302 52.037 0.039 0.000 0.623 406 A CB -0.436 18.581 19.000 0.030 0.000 0.818 406 A HN 0.412 nan 8.150 nan 0.000 0.443 407 R N -1.309 119.216 120.500 0.042 0.000 2.096 407 R HA -0.085 4.256 4.340 0.001 0.000 0.235 407 R C 2.045 178.375 176.300 0.050 0.000 1.127 407 R CA 1.311 57.432 56.100 0.036 0.000 0.968 407 R CB -0.504 29.814 30.300 0.030 0.000 0.861 407 R HN 0.450 nan 8.270 nan 0.000 0.440 408 L N 0.542 121.810 121.223 0.075 0.000 2.046 408 L HA -0.155 4.186 4.340 0.001 0.000 0.208 408 L C 2.098 179.090 176.870 0.203 0.000 1.077 408 L CA 1.522 56.438 54.840 0.127 0.000 0.747 408 L CB -0.250 41.883 42.059 0.123 0.000 0.896 408 L HN -0.069 nan 8.230 nan 0.000 0.432 409 V N -0.473 119.528 119.914 0.146 0.000 2.358 409 V HA -0.249 3.872 4.120 0.001 0.000 0.246 409 V C 2.689 178.863 176.094 0.133 0.000 1.047 409 V CA 1.529 63.919 62.300 0.148 0.000 1.035 409 V CB -1.206 30.657 31.823 0.067 0.000 0.658 409 V HN 0.557 nan 8.190 nan 0.000 0.452 410 A N 0.147 123.009 122.820 0.068 0.000 2.019 410 A HA -0.247 4.074 4.320 0.001 0.000 0.219 410 A C 2.307 179.888 177.584 -0.005 0.000 1.164 410 A CA 1.953 54.006 52.037 0.026 0.000 0.644 410 A CB -0.520 18.487 19.000 0.012 0.000 0.805 410 A HN 0.597 nan 8.150 nan 0.000 0.449 411 K N -1.492 118.900 120.400 -0.013 0.000 2.211 411 K HA -0.176 4.145 4.320 0.001 0.000 0.204 411 K C 0.921 177.363 176.600 -0.262 0.000 1.047 411 K CA 1.575 57.770 56.287 -0.152 0.000 0.935 411 K CB -0.316 32.066 32.500 -0.197 0.000 0.728 411 K HN 0.527 nan 8.250 nan 0.000 0.452 412 Y N 1.144 121.486 120.300 0.070 0.000 2.461 412 Y HA 0.222 4.772 4.550 0.001 0.000 0.277 412 Y C -0.187 175.798 175.900 0.142 0.000 1.182 412 Y CA -0.174 58.036 58.100 0.184 0.000 1.276 412 Y CB 0.419 39.031 38.460 0.253 0.000 1.087 412 Y HN -0.032 nan 8.280 nan 0.000 0.519 413 R N -0.420 120.130 120.500 0.082 0.000 3.146 413 R HA -0.155 4.186 4.340 0.001 0.000 0.250 413 R C -2.980 173.401 176.300 0.135 0.000 0.912 413 R CA 0.187 56.308 56.100 0.035 0.000 0.633 413 R CB -2.068 28.160 30.300 -0.120 0.000 1.180 413 R HN 0.269 nan 8.270 nan 0.000 0.464 414 P HA 0.011 nan 4.420 nan 0.000 0.272 414 P C 0.418 177.672 177.300 -0.075 0.000 1.240 414 P CA -0.157 62.864 63.100 -0.132 0.000 0.791 414 P CB 0.439 32.028 31.700 -0.185 0.000 0.978 415 N N 0.054 118.593 118.700 -0.268 0.000 2.327 415 N HA 0.061 4.802 4.740 0.001 0.000 0.231 415 N C -0.218 175.300 175.510 0.013 0.000 1.130 415 N CA -0.455 52.583 53.050 -0.021 0.000 0.845 415 N CB -1.142 37.401 38.487 0.093 0.000 1.073 415 N HN 0.447 nan 8.380 nan 0.000 0.496 416 C N -2.710 116.534 119.300 -0.094 0.000 3.171 416 C HA 0.751 5.212 4.460 0.001 0.000 0.308 416 C C -3.018 171.658 174.990 -0.522 0.000 1.334 416 C CA -1.956 56.905 59.018 -0.262 0.000 1.473 416 C CB 1.472 29.071 27.740 -0.235 0.000 1.866 416 C HN 0.006 nan 8.230 nan 0.000 0.465 417 P HA 0.413 nan 4.420 nan 0.000 0.269 417 P C -0.835 176.236 177.300 -0.381 0.000 1.209 417 P CA 0.298 62.839 63.100 -0.932 0.000 0.776 417 P CB 0.301 31.246 31.700 -1.258 0.000 0.876 418 I N 1.937 122.381 120.570 -0.211 0.000 2.378 418 I HA 0.261 4.432 4.170 0.001 0.000 0.291 418 I C -0.490 175.611 176.117 -0.026 0.000 0.992 418 I CA -0.782 60.464 61.300 -0.090 0.000 1.154 418 I CB 1.742 39.712 38.000 -0.050 0.000 1.315 418 I HN -0.055 nan 8.210 nan 0.000 0.448 419 V N 5.819 125.737 119.914 0.006 0.000 2.378 419 V HA 0.244 4.365 4.120 0.001 0.000 0.288 419 V C -0.313 175.771 176.094 -0.016 0.000 1.016 419 V CA -0.638 61.675 62.300 0.022 0.000 0.840 419 V CB 1.516 33.407 31.823 0.115 0.000 0.994 419 V HN 0.864 nan 8.190 nan 0.000 0.431 420 C N 6.628 125.901 119.300 -0.045 0.000 2.330 420 C HA 0.763 5.223 4.460 0.001 0.000 0.344 420 C C 0.016 174.975 174.990 -0.050 0.000 1.273 420 C CA -0.169 58.830 59.018 -0.031 0.000 1.879 420 C CB 0.434 28.166 27.740 -0.012 0.000 2.376 420 C HN 0.701 nan 8.230 nan 0.000 0.534 421 V N 6.363 126.256 119.914 -0.034 0.000 2.357 421 V HA 0.559 4.680 4.120 0.001 0.000 0.284 421 V C 0.415 176.503 176.094 -0.010 0.000 1.018 421 V CA 0.022 62.299 62.300 -0.038 0.000 0.841 421 V CB 1.524 33.303 31.823 -0.073 0.000 0.991 421 V HN 1.001 nan 8.190 nan 0.000 0.437 422 T N 2.133 116.714 114.554 0.045 0.000 2.893 422 T HA 0.400 4.751 4.350 0.001 0.000 0.291 422 T C 0.835 175.631 174.700 0.159 0.000 1.028 422 T CA 0.233 62.390 62.100 0.095 0.000 0.995 422 T CB 1.738 70.675 68.868 0.115 0.000 1.051 422 T HN 0.845 nan 8.240 nan 0.000 0.470 423 T N 1.315 115.967 114.554 0.163 0.000 3.122 423 T HA 0.395 4.745 4.350 0.001 0.000 0.250 423 T C 0.504 175.442 174.700 0.395 0.000 1.067 423 T CA -0.228 61.996 62.100 0.207 0.000 0.966 423 T CB -0.024 68.945 68.868 0.169 0.000 1.002 423 T HN 0.329 nan 8.240 nan 0.000 0.542 424 R N 0.222 120.931 120.500 0.348 0.000 2.480 424 R HA 0.610 4.951 4.340 0.001 0.000 0.306 424 R C 0.827 177.201 176.300 0.124 0.000 0.958 424 R CA -0.629 55.611 56.100 0.234 0.000 0.861 424 R CB 1.213 31.584 30.300 0.118 0.000 1.171 424 R HN 0.056 nan 8.270 nan 0.000 0.445 425 L N 1.645 122.794 121.223 -0.123 0.000 2.083 425 L HA -0.219 4.122 4.340 0.001 0.000 0.209 425 L C 2.198 179.001 176.870 -0.112 0.000 1.083 425 L CA 1.500 56.175 54.840 -0.275 0.000 0.752 425 L CB -0.054 41.721 42.059 -0.473 0.000 0.899 425 L HN 0.719 nan 8.230 nan 0.000 0.433 426 Q N -0.657 119.102 119.800 -0.069 0.000 2.170 426 Q HA -0.202 4.139 4.340 0.001 0.000 0.203 426 Q C 1.966 177.959 176.000 -0.011 0.000 0.976 426 Q CA 2.039 57.818 55.803 -0.040 0.000 0.858 426 Q CB 0.060 28.780 28.738 -0.031 0.000 0.907 426 Q HN 0.374 nan 8.270 nan 0.000 0.433 427 T N -0.303 114.259 114.554 0.013 0.000 2.788 427 T HA -0.169 4.182 4.350 0.001 0.000 0.268 427 T C 1.841 176.558 174.700 0.027 0.000 1.044 427 T CA 1.298 63.417 62.100 0.031 0.000 1.139 427 T CB -0.389 68.512 68.868 0.055 0.000 0.867 427 T HN 0.455 nan 8.240 nan 0.000 0.454 428 C N 1.401 120.715 119.300 0.024 0.000 2.429 428 C HA -0.019 4.442 4.460 0.001 0.000 0.277 428 C C 2.822 177.816 174.990 0.008 0.000 1.262 428 C CA 0.376 59.405 59.018 0.018 0.000 1.733 428 C CB -1.006 26.742 27.740 0.014 0.000 2.010 428 C HN 0.557 nan 8.230 nan 0.000 0.483 429 R N 0.543 121.038 120.500 -0.007 0.000 2.075 429 R HA -0.132 4.208 4.340 0.001 0.000 0.232 429 R C 2.299 178.605 176.300 0.010 0.000 1.126 429 R CA 1.206 57.304 56.100 -0.004 0.000 0.963 429 R CB -0.425 29.862 30.300 -0.022 0.000 0.858 429 R HN 0.657 nan 8.270 nan 0.000 0.435 430 Q N 0.616 120.422 119.800 0.010 0.000 2.170 430 Q HA -0.070 4.271 4.340 0.001 0.000 0.203 430 Q C 1.969 177.989 176.000 0.033 0.000 0.976 430 Q CA 0.965 56.781 55.803 0.021 0.000 0.858 430 Q CB 0.009 28.757 28.738 0.017 0.000 0.907 430 Q HN 0.371 nan 8.270 nan 0.000 0.433 431 L N 0.774 122.016 121.223 0.031 0.000 2.622 431 L HA -0.074 4.266 4.340 0.001 0.000 0.233 431 L C 1.093 177.987 176.870 0.040 0.000 1.156 431 L CA 0.015 54.876 54.840 0.034 0.000 0.866 431 L CB -0.198 41.878 42.059 0.029 0.000 0.980 431 L HN 0.186 nan 8.230 nan 0.000 0.448 432 N N 0.674 119.400 118.700 0.043 0.000 2.512 432 N HA -0.082 4.658 4.740 0.001 0.000 0.183 432 N C 1.554 177.101 175.510 0.062 0.000 1.073 432 N CA 0.796 53.877 53.050 0.052 0.000 0.911 432 N CB 0.006 38.522 38.487 0.049 0.000 0.964 432 N HN 0.531 nan 8.380 nan 0.000 0.447 433 I N -4.026 116.583 120.570 0.064 0.000 3.956 433 I HA 0.242 4.412 4.170 0.001 0.000 0.333 433 I C -0.323 175.822 176.117 0.047 0.000 1.302 433 I CA 0.055 61.395 61.300 0.067 0.000 1.122 433 I CB 0.080 38.136 38.000 0.092 0.000 1.013 433 I HN -0.279 nan 8.210 nan 0.000 0.405 434 T N 3.086 117.664 114.554 0.041 0.000 2.767 434 T HA 0.333 4.684 4.350 0.001 0.000 0.284 434 T C -0.124 174.594 174.700 0.030 0.000 0.973 434 T CA -0.422 61.696 62.100 0.029 0.000 0.996 434 T CB 1.302 70.186 68.868 0.027 0.000 0.927 434 T HN 0.401 nan 8.240 nan 0.000 0.456 435 Q N 1.858 121.669 119.800 0.018 0.000 2.392 435 Q HA 0.459 4.800 4.340 0.001 0.000 0.262 435 Q C 1.088 177.111 176.000 0.039 0.000 1.003 435 Q CA 0.421 56.239 55.803 0.024 0.000 0.888 435 Q CB -0.137 28.602 28.738 0.002 0.000 1.260 435 Q HN 0.842 nan 8.270 nan 0.000 0.435 436 G N 0.351 109.198 108.800 0.077 0.000 2.153 436 G HA2 -0.191 3.770 3.960 0.001 0.000 0.252 436 G HA3 -0.191 3.770 3.960 0.001 0.000 0.252 436 G C -0.368 174.573 174.900 0.068 0.000 0.994 436 G CA 0.104 45.276 45.100 0.121 0.000 0.698 436 G HN 0.693 nan 8.290 nan 0.000 0.521 437 V N -0.147 119.804 119.914 0.061 0.000 2.656 437 V HA 0.655 4.776 4.120 0.001 0.000 0.307 437 V C -0.059 176.069 176.094 0.056 0.000 1.051 437 V CA -0.781 61.542 62.300 0.038 0.000 0.893 437 V CB 2.006 33.845 31.823 0.027 0.000 0.999 437 V HN 0.358 nan 8.190 nan 0.000 0.426 438 E N 1.764 121.991 120.200 0.046 0.000 2.222 438 E HA 0.615 4.965 4.350 0.001 0.000 0.267 438 E C -1.157 175.390 176.600 -0.088 0.000 0.884 438 E CA -0.482 55.941 56.400 0.039 0.000 0.764 438 E CB 2.257 32.066 29.700 0.182 0.000 1.169 438 E HN 0.646 nan 8.360 nan 0.000 0.413 439 S N 1.260 116.890 115.700 -0.116 0.000 2.509 439 S HA 0.467 4.938 4.470 0.001 0.000 0.297 439 S C -0.622 173.827 174.600 -0.250 0.000 1.118 439 S CA -0.747 57.372 58.200 -0.134 0.000 1.074 439 S CB 1.452 64.634 63.200 -0.029 0.000 1.038 439 S HN 0.230 nan 8.310 nan 0.000 0.498 440 V N 3.817 123.601 119.914 -0.217 0.000 2.409 440 V HA 0.406 4.527 4.120 0.001 0.000 0.291 440 V C -0.622 175.507 176.094 0.057 0.000 1.020 440 V CA -0.785 61.422 62.300 -0.156 0.000 0.848 440 V CB 0.968 32.656 31.823 -0.225 0.000 0.990 440 V HN 0.840 nan 8.190 nan 0.000 0.430 441 F N 6.066 126.008 119.950 -0.014 0.000 2.427 441 F HA 0.592 5.120 4.527 0.001 0.000 0.352 441 F C -0.723 175.143 175.800 0.111 0.000 1.100 441 F CA -1.058 56.966 58.000 0.041 0.000 1.191 441 F CB 0.766 39.775 39.000 0.015 0.000 1.128 441 F HN 0.429 nan 8.300 nan 0.000 0.533 442 F N 6.454 125.904 119.950 -0.833 0.000 2.460 442 F HA 0.278 4.805 4.527 0.001 0.000 0.341 442 F C -0.631 174.564 175.800 -1.009 0.000 1.130 442 F CA -0.885 56.699 58.000 -0.693 0.000 0.962 442 F CB 0.545 39.358 39.000 -0.311 0.000 1.171 442 F HN 0.404 nan 8.300 nan 0.000 0.436 443 D N 5.082 124.769 120.400 -1.189 0.000 2.374 443 D HA 0.282 4.922 4.640 0.001 0.000 0.240 443 D C 0.918 176.922 176.300 -0.494 0.000 1.229 443 D CA 0.376 53.942 54.000 -0.724 0.000 0.895 443 D CB 1.617 42.189 40.800 -0.380 0.000 1.046 443 D HN 0.718 nan 8.370 nan 0.000 0.498 444 A N 4.055 126.769 122.820 -0.177 0.000 1.933 444 A HA -0.195 4.126 4.320 0.001 0.000 0.218 444 A C 1.700 179.211 177.584 -0.122 0.000 1.175 444 A CA 1.313 53.339 52.037 -0.018 0.000 0.628 444 A CB -0.098 19.008 19.000 0.177 0.000 0.814 444 A HN 0.489 nan 8.150 nan 0.000 0.444 445 D N -0.476 119.868 120.400 -0.093 0.000 2.084 445 D HA -0.122 4.519 4.640 0.001 0.000 0.194 445 D C 1.955 178.173 176.300 -0.137 0.000 0.990 445 D CA 1.691 55.632 54.000 -0.099 0.000 0.826 445 D CB -0.207 40.572 40.800 -0.035 0.000 0.971 445 D HN 0.384 nan 8.370 nan 0.000 0.453 446 K N 0.163 120.470 120.400 -0.154 0.000 2.026 446 K HA 0.032 4.353 4.320 0.001 0.000 0.208 446 K C 1.606 178.074 176.600 -0.221 0.000 1.048 446 K CA 0.977 57.163 56.287 -0.170 0.000 0.929 446 K CB -0.105 32.291 32.500 -0.174 0.000 0.713 446 K HN 0.129 nan 8.250 nan 0.000 0.439 447 L N -0.559 120.469 121.223 -0.324 0.000 2.640 447 L HA 0.345 4.686 4.340 0.001 0.000 0.230 447 L C 0.549 177.310 176.870 -0.181 0.000 1.123 447 L CA -0.189 54.446 54.840 -0.342 0.000 0.900 447 L CB 0.176 41.842 42.059 -0.654 0.000 1.146 447 L HN 0.394 nan 8.230 nan 0.000 0.484 448 G N -0.449 108.260 108.800 -0.152 0.000 2.746 448 G HA2 -0.231 3.730 3.960 0.001 0.000 0.685 448 G HA3 -0.231 3.730 3.960 0.001 0.000 0.685 448 G C 0.045 174.981 174.900 0.060 0.000 1.350 448 G CA -0.519 44.517 45.100 -0.107 0.000 0.837 448 G HN 0.157 nan 8.290 nan 0.000 0.564 449 H N 0.504 119.634 119.070 0.099 0.000 2.524 449 H HA 0.039 4.596 4.556 0.001 0.000 0.282 449 H C 1.704 177.085 175.328 0.088 0.000 1.016 449 H CA 1.570 57.673 56.048 0.093 0.000 1.270 449 H CB -0.052 29.739 29.762 0.049 0.000 1.394 449 H HN 0.847 nan 8.280 nan 0.000 0.568 450 D N 1.166 121.705 120.400 0.232 0.000 2.689 450 D HA -0.164 4.477 4.640 0.001 0.000 0.237 450 D C 1.210 177.528 176.300 0.030 0.000 1.148 450 D CA 0.749 54.836 54.000 0.144 0.000 0.656 450 D CB -0.620 40.217 40.800 0.062 0.000 1.050 450 D HN 0.607 nan 8.370 nan 0.000 0.426 451 E N -0.995 119.232 120.200 0.046 0.000 2.204 451 E HA -0.116 4.235 4.350 0.001 0.000 0.195 451 E C 2.106 178.703 176.600 -0.005 0.000 0.990 451 E CA 1.237 57.642 56.400 0.009 0.000 0.821 451 E CB -0.348 29.359 29.700 0.011 0.000 0.750 451 E HN 0.514 nan 8.360 nan 0.000 0.477 452 G N 0.868 109.647 108.800 -0.035 0.000 2.880 452 G HA2 -0.060 3.901 3.960 0.001 0.000 0.209 452 G HA3 -0.060 3.901 3.960 0.001 0.000 0.209 452 G C 0.642 175.521 174.900 -0.035 0.000 1.157 452 G CA 0.249 45.352 45.100 0.005 0.000 0.779 452 G HN 0.196 nan 8.290 nan 0.000 0.539 453 K N -0.944 119.361 120.400 -0.158 0.000 3.548 453 K HA -0.223 4.098 4.320 0.001 0.000 0.296 453 K C 1.634 178.042 176.600 -0.320 0.000 1.324 453 K CA 1.346 57.447 56.287 -0.311 0.000 0.976 453 K CB -1.253 30.918 32.500 -0.549 0.000 1.294 453 K HN 0.612 nan 8.250 nan 0.000 0.464 454 E N -0.045 119.990 120.200 -0.276 0.000 2.110 454 E HA -0.210 4.141 4.350 0.001 0.000 0.193 454 E C 1.460 177.904 176.600 -0.260 0.000 0.988 454 E CA 1.619 57.857 56.400 -0.271 0.000 0.804 454 E CB -0.291 29.229 29.700 -0.299 0.000 0.745 454 E HN 0.608 nan 8.360 nan 0.000 0.458 455 H N 0.735 119.740 119.070 -0.108 0.000 2.326 455 H HA 0.074 4.631 4.556 0.001 0.000 0.301 455 H C 2.275 177.477 175.328 -0.210 0.000 1.081 455 H CA 1.264 57.266 56.048 -0.077 0.000 1.334 455 H CB 0.046 29.841 29.762 0.054 0.000 1.385 455 H HN -0.010 nan 8.280 nan 0.000 0.504 456 R N 0.257 120.521 120.500 -0.393 0.000 2.081 456 R HA -0.110 4.231 4.340 0.001 0.000 0.235 456 R C 2.312 178.490 176.300 -0.203 0.000 1.131 456 R CA 1.272 57.067 56.100 -0.509 0.000 0.960 456 R CB -0.298 29.638 30.300 -0.607 0.000 0.856 456 R HN 0.151 nan 8.270 nan 0.000 0.436 457 V N 0.890 120.701 119.914 -0.171 0.000 2.343 457 V HA -0.250 3.871 4.120 0.001 0.000 0.247 457 V C 2.408 178.494 176.094 -0.013 0.000 1.051 457 V CA 1.965 64.220 62.300 -0.075 0.000 1.036 457 V CB -0.655 31.125 31.823 -0.071 0.000 0.654 457 V HN 0.420 nan 8.190 nan 0.000 0.451 458 A N -0.071 122.749 122.820 -0.001 0.000 1.902 458 A HA -0.101 4.220 4.320 0.001 0.000 0.217 458 A C 2.423 180.052 177.584 0.074 0.000 1.181 458 A CA 2.027 54.091 52.037 0.046 0.000 0.623 458 A CB -0.718 18.324 19.000 0.070 0.000 0.818 458 A HN 0.563 nan 8.150 nan 0.000 0.443 459 A N -0.462 122.409 122.820 0.085 0.000 1.902 459 A HA 0.136 4.457 4.320 0.001 0.000 0.217 459 A C 2.416 180.072 177.584 0.120 0.000 1.181 459 A CA 1.904 54.012 52.037 0.118 0.000 0.623 459 A CB -1.377 17.718 19.000 0.158 0.000 0.818 459 A HN 0.712 nan 8.150 nan 0.000 0.443 460 G N -0.680 108.165 108.800 0.075 0.000 2.418 460 G HA2 -0.103 3.858 3.960 0.001 0.000 0.217 460 G HA3 -0.103 3.858 3.960 0.001 0.000 0.217 460 G C 1.519 176.510 174.900 0.152 0.000 1.158 460 G CA 1.180 46.337 45.100 0.095 0.000 0.771 460 G HN 0.303 nan 8.290 nan 0.000 0.545 461 V N 0.800 120.777 119.914 0.106 0.000 2.343 461 V HA -0.147 3.973 4.120 0.001 0.000 0.247 461 V C 2.719 178.873 176.094 0.099 0.000 1.051 461 V CA 2.333 64.691 62.300 0.097 0.000 1.036 461 V CB -0.145 31.717 31.823 0.065 0.000 0.654 461 V HN 0.484 nan 8.190 nan 0.000 0.451 462 E N 0.195 120.457 120.200 0.103 0.000 2.077 462 E HA -0.259 4.092 4.350 0.001 0.000 0.193 462 E C 1.916 178.570 176.600 0.089 0.000 0.989 462 E CA 1.687 58.136 56.400 0.082 0.000 0.800 462 E CB -0.536 29.215 29.700 0.085 0.000 0.746 462 E HN 0.560 nan 8.360 nan 0.000 0.452 463 F N 0.529 120.486 119.950 0.012 0.000 2.134 463 F HA -0.116 4.412 4.527 0.002 0.000 0.299 463 F C 2.035 177.816 175.800 -0.033 0.000 1.097 463 F CA 1.757 59.758 58.000 0.001 0.000 1.264 463 F CB -0.524 38.495 39.000 0.032 0.000 1.001 463 F HN 0.122 nan 8.300 nan 0.000 0.479 464 A N 0.251 123.146 122.820 0.124 0.000 1.933 464 A HA -0.182 4.139 4.320 0.001 0.000 0.218 464 A C 2.282 179.782 177.584 -0.140 0.000 1.175 464 A CA 1.693 53.748 52.037 0.031 0.000 0.628 464 A CB -0.665 18.440 19.000 0.175 0.000 0.814 464 A HN 0.444 nan 8.150 nan 0.000 0.444 465 K N 0.014 120.361 120.400 -0.089 0.000 2.057 465 K HA -0.134 4.187 4.320 0.001 0.000 0.207 465 K C 2.529 179.017 176.600 -0.187 0.000 1.049 465 K CA 1.573 57.797 56.287 -0.104 0.000 0.931 465 K CB -0.215 32.255 32.500 -0.050 0.000 0.714 465 K HN 0.638 nan 8.250 nan 0.000 0.440 466 S N 1.144 116.705 115.700 -0.232 0.000 2.382 466 S HA -0.106 4.364 4.470 0.001 0.000 0.228 466 S C 1.654 176.020 174.600 -0.390 0.000 1.027 466 S CA 1.075 59.113 58.200 -0.270 0.000 0.991 466 S CB -0.023 63.039 63.200 -0.230 0.000 0.823 466 S HN 0.130 nan 8.310 nan 0.000 0.469 467 K N 0.566 120.584 120.400 -0.636 0.000 2.444 467 K HA 0.206 4.527 4.320 0.001 0.000 0.193 467 K C 1.400 177.599 176.600 -0.667 0.000 1.024 467 K CA 0.637 56.474 56.287 -0.750 0.000 1.077 467 K CB -0.133 31.666 32.500 -1.168 0.000 0.833 467 K HN 0.648 nan 8.250 nan 0.000 0.517 468 G N 1.278 109.798 108.800 -0.466 0.000 2.159 468 G HA2 -0.293 3.668 3.960 0.001 0.000 0.256 468 G HA3 -0.293 3.668 3.960 0.001 0.000 0.256 468 G C 0.583 175.418 174.900 -0.107 0.000 0.977 468 G CA 0.253 45.208 45.100 -0.241 0.000 0.652 468 G HN 0.205 nan 8.290 nan 0.000 0.531 469 Y N -0.023 120.236 120.300 -0.069 0.000 2.224 469 Y HA 0.232 4.783 4.550 0.001 0.000 0.289 469 Y C 1.957 177.830 175.900 -0.045 0.000 1.146 469 Y CA 0.879 58.946 58.100 -0.056 0.000 1.182 469 Y CB -0.675 37.738 38.460 -0.079 0.000 0.983 469 Y HN 0.769 nan 8.280 nan 0.000 0.524 470 V N -1.474 118.485 119.914 0.076 0.000 2.914 470 V HA 0.695 4.816 4.120 0.001 0.000 0.314 470 V C -0.900 175.189 176.094 -0.008 0.000 1.084 470 V CA -1.226 61.092 62.300 0.030 0.000 0.963 470 V CB 2.069 33.913 31.823 0.035 0.000 1.025 470 V HN 0.156 nan 8.190 nan 0.000 0.432 471 Q N 0.770 120.559 119.800 -0.017 0.000 2.587 471 Q HA 0.644 4.985 4.340 0.001 0.000 0.293 471 Q C -0.539 175.440 176.000 -0.035 0.000 1.083 471 Q CA -0.893 54.893 55.803 -0.028 0.000 0.792 471 Q CB 1.456 30.177 28.738 -0.029 0.000 1.484 471 Q HN 0.881 nan 8.270 nan 0.000 0.446 472 T N -1.223 113.310 114.554 -0.035 0.000 2.940 472 T HA 0.388 4.739 4.350 0.001 0.000 0.309 472 T C 1.120 175.783 174.700 -0.061 0.000 1.056 472 T CA 0.304 62.381 62.100 -0.038 0.000 1.137 472 T CB 0.508 69.359 68.868 -0.028 0.000 0.976 472 T HN 1.084 nan 8.240 nan 0.000 0.547 473 G N 1.756 110.508 108.800 -0.079 0.000 2.195 473 G HA2 -0.209 3.752 3.960 0.001 0.000 0.246 473 G HA3 -0.209 3.752 3.960 0.001 0.000 0.246 473 G C -0.163 174.593 174.900 -0.240 0.000 0.984 473 G CA -0.054 44.965 45.100 -0.134 0.000 0.633 473 G HN 0.791 nan 8.290 nan 0.000 0.525 474 D N -0.091 120.199 120.400 -0.183 0.000 2.344 474 D HA 0.521 5.162 4.640 0.001 0.000 0.244 474 D C 0.155 176.346 176.300 -0.182 0.000 1.134 474 D CA 0.050 53.925 54.000 -0.209 0.000 0.930 474 D CB 0.377 41.129 40.800 -0.080 0.000 1.175 474 D HN 0.134 nan 8.370 nan 0.000 0.437 475 Y N 0.081 120.376 120.300 -0.009 0.000 2.308 475 Y HA 0.296 4.847 4.550 0.002 0.000 0.329 475 Y C 0.450 176.339 175.900 -0.018 0.000 1.111 475 Y CA -0.994 57.098 58.100 -0.014 0.000 1.179 475 Y CB 1.268 39.716 38.460 -0.020 0.000 1.201 475 Y HN 0.202 nan 8.280 nan 0.000 0.483 476 C N 4.253 123.653 119.300 0.166 0.000 2.396 476 C HA 0.801 5.261 4.460 0.001 0.000 0.321 476 C C -0.823 174.192 174.990 0.041 0.000 1.233 476 C CA -0.661 58.404 59.018 0.078 0.000 1.440 476 C CB -0.313 27.465 27.740 0.064 0.000 2.110 476 C HN 0.619 nan 8.230 nan 0.000 0.473 477 V N 6.901 126.815 119.914 0.000 0.000 2.407 477 V HA 0.531 4.651 4.120 0.001 0.000 0.278 477 V C -0.039 176.035 176.094 -0.034 0.000 1.037 477 V CA -0.188 62.091 62.300 -0.036 0.000 0.900 477 V CB 1.496 33.279 31.823 -0.066 0.000 0.983 477 V HN 0.742 nan 8.190 nan 0.000 0.459 478 V N 6.652 126.538 119.914 -0.046 0.000 2.604 478 V HA 0.575 4.696 4.120 0.001 0.000 0.305 478 V C -0.374 175.646 176.094 -0.122 0.000 1.043 478 V CA -0.492 61.786 62.300 -0.037 0.000 0.888 478 V CB 2.031 33.862 31.823 0.013 0.000 0.995 478 V HN 0.690 nan 8.190 nan 0.000 0.429 479 I N 5.496 126.012 120.570 -0.089 0.000 2.447 479 I HA 0.712 4.883 4.170 0.001 0.000 0.287 479 I C -0.455 175.613 176.117 -0.082 0.000 1.023 479 I CA -0.246 60.965 61.300 -0.148 0.000 1.083 479 I CB 1.651 39.616 38.000 -0.059 0.000 1.245 479 I HN 1.031 nan 8.210 nan 0.000 0.434 480 H N 3.880 122.918 119.070 -0.053 0.000 2.888 480 H HA 0.792 5.349 4.556 0.001 0.000 0.267 480 H C -0.969 174.304 175.328 -0.091 0.000 1.482 480 H CA -1.008 55.000 56.048 -0.065 0.000 1.165 480 H CB 0.466 30.183 29.762 -0.075 0.000 1.866 480 H HN 0.541 nan 8.280 nan 0.000 0.599 481 A N 0.392 123.275 122.820 0.105 0.000 2.313 481 A HA 0.420 4.741 4.320 0.001 0.000 0.261 481 A C -0.125 177.492 177.584 0.055 0.000 1.090 481 A CA 0.160 52.187 52.037 -0.017 0.000 0.807 481 A CB -0.297 18.640 19.000 -0.103 0.000 1.055 481 A HN 0.810 nan 8.150 nan 0.000 0.492 482 D N -1.044 119.309 120.400 -0.079 0.000 2.440 482 D HA 0.125 4.766 4.640 0.001 0.000 0.269 482 D C 0.792 177.029 176.300 -0.105 0.000 1.249 482 D CA -0.071 53.833 54.000 -0.160 0.000 1.055 482 D CB -0.092 40.611 40.800 -0.162 0.000 1.104 482 D HN 0.466 nan 8.370 nan 0.000 0.561 483 H N -0.962 118.098 119.070 -0.017 0.000 2.389 483 H HA -0.027 4.530 4.556 0.002 0.000 0.299 483 H C 1.766 177.073 175.328 -0.036 0.000 1.081 483 H CA 1.347 57.379 56.048 -0.027 0.000 1.345 483 H CB -0.079 29.670 29.762 -0.022 0.000 1.393 483 H HN 0.473 nan 8.280 nan 0.000 0.520 484 K N 0.832 121.276 120.400 0.074 0.000 2.031 484 K HA -0.005 4.316 4.320 0.001 0.000 0.205 484 K C 0.428 177.014 176.600 -0.025 0.000 1.049 484 K CA 0.277 56.576 56.287 0.021 0.000 0.939 484 K CB 0.180 32.688 32.500 0.014 0.000 0.717 484 K HN -0.072 nan 8.250 nan 0.000 0.438 485 V N 3.221 123.090 119.914 -0.075 0.000 2.637 485 V HA 0.032 4.153 4.120 0.001 0.000 0.296 485 V C 0.022 176.012 176.094 -0.174 0.000 1.046 485 V CA 0.213 62.418 62.300 -0.159 0.000 1.066 485 V CB 1.117 32.757 31.823 -0.304 0.000 0.968 485 V HN 0.206 nan 8.190 nan 0.000 0.483 486 K N 2.699 123.009 120.400 -0.149 0.000 2.371 486 K HA 0.630 4.951 4.320 0.001 0.000 0.251 486 K C 0.769 177.343 176.600 -0.044 0.000 0.934 486 K CA 0.035 56.267 56.287 -0.090 0.000 0.798 486 K CB 1.732 34.211 32.500 -0.035 0.000 1.204 486 K HN 0.903 nan 8.250 nan 0.000 0.427 487 G N 1.566 110.360 108.800 -0.009 0.000 2.213 487 G HA2 -0.280 3.681 3.960 0.001 0.000 0.236 487 G HA3 -0.280 3.681 3.960 0.001 0.000 0.236 487 G C -0.346 174.674 174.900 0.201 0.000 0.991 487 G CA 0.816 45.972 45.100 0.094 0.000 0.629 487 G HN 0.669 nan 8.290 nan 0.000 0.517 488 Y N -2.656 117.652 120.300 0.013 0.000 2.725 488 Y HA 0.778 5.329 4.550 0.001 0.000 0.333 488 Y C -0.330 175.578 175.900 0.014 0.000 1.242 488 Y CA -1.271 56.838 58.100 0.014 0.000 1.059 488 Y CB 0.676 39.143 38.460 0.013 0.000 1.306 488 Y HN 0.984 nan 8.280 nan 0.000 0.454 489 A N 1.280 124.165 122.820 0.108 0.000 2.260 489 A HA 0.395 4.716 4.320 0.001 0.000 0.314 489 A C -0.212 177.405 177.584 0.055 0.000 1.257 489 A CA -0.348 51.689 52.037 -0.001 0.000 0.871 489 A CB -0.496 18.523 19.000 0.032 0.000 1.166 489 A HN 0.960 nan 8.150 nan 0.000 0.522 490 N N 1.632 120.282 118.700 -0.084 0.000 2.203 490 N HA 0.102 4.843 4.740 0.001 0.000 0.207 490 N C 0.091 175.571 175.510 -0.049 0.000 1.130 490 N CA -0.213 52.839 53.050 0.004 0.000 0.861 490 N CB 0.401 38.873 38.487 -0.024 0.000 1.005 490 N HN 0.669 nan 8.380 nan 0.000 0.507 491 Q N 0.454 120.187 119.800 -0.111 0.000 2.372 491 Q HA 0.327 4.668 4.340 0.001 0.000 0.273 491 Q C -1.707 174.163 176.000 -0.215 0.000 1.078 491 Q CA -0.709 54.992 55.803 -0.170 0.000 0.806 491 Q CB 2.471 31.072 28.738 -0.229 0.000 1.332 491 Q HN 0.102 nan 8.270 nan 0.000 0.435 492 T N 2.332 116.779 114.554 -0.178 0.000 2.876 492 T HA 0.713 5.064 4.350 0.001 0.000 0.289 492 T C -1.466 173.138 174.700 -0.160 0.000 1.014 492 T CA -0.477 61.519 62.100 -0.173 0.000 0.986 492 T CB 0.898 69.697 68.868 -0.115 0.000 1.021 492 T HN 0.621 nan 8.240 nan 0.000 0.458 493 R N 3.155 123.563 120.500 -0.154 0.000 2.628 493 R HA 0.602 4.943 4.340 0.001 0.000 0.288 493 R C -0.889 175.361 176.300 -0.084 0.000 0.980 493 R CA -0.697 55.338 56.100 -0.109 0.000 0.891 493 R CB 1.950 32.194 30.300 -0.093 0.000 1.188 493 R HN 0.520 nan 8.270 nan 0.000 0.450 494 I N 4.951 125.470 120.570 -0.086 0.000 2.307 494 I HA 0.250 4.421 4.170 0.001 0.000 0.289 494 I C -0.655 175.445 176.117 -0.028 0.000 1.021 494 I CA -0.717 60.529 61.300 -0.091 0.000 1.224 494 I CB 0.597 38.476 38.000 -0.201 0.000 1.376 494 I HN 0.343 nan 8.210 nan 0.000 0.470 495 L N 5.766 127.010 121.223 0.036 0.000 2.334 495 L HA 0.647 4.988 4.340 0.001 0.000 0.276 495 L C -0.559 176.404 176.870 0.155 0.000 1.014 495 L CA -0.899 53.988 54.840 0.079 0.000 0.815 495 L CB 0.941 43.032 42.059 0.052 0.000 1.268 495 L HN 0.301 nan 8.230 nan 0.000 0.428 496 L N 3.165 124.477 121.223 0.149 0.000 2.349 496 L HA 0.588 4.929 4.340 0.001 0.000 0.275 496 L C -0.057 176.844 176.870 0.052 0.000 1.115 496 L CA -0.059 54.853 54.840 0.120 0.000 0.820 496 L CB 1.566 43.682 42.059 0.095 0.000 1.135 496 L HN 0.640 nan 8.230 nan 0.000 0.445 497 V N 2.782 122.706 119.914 0.016 0.000 2.439 497 V HA 0.699 4.820 4.120 0.001 0.000 0.282 497 V C -0.276 175.815 176.094 -0.005 0.000 1.039 497 V CA -0.352 61.954 62.300 0.010 0.000 0.913 497 V CB 1.250 33.080 31.823 0.012 0.000 0.983 497 V HN 0.934 nan 8.190 nan 0.000 0.460 498 E N 0.000 120.202 120.200 0.003 0.000 2.725 498 E HA 0.000 4.351 4.350 0.001 0.000 0.291 498 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 498 E CB 0.000 29.702 29.700 0.003 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440