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_P 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 0.604 120.387 119.800 -0.029 0.000 2.224 2 Q HA 0.162 4.502 4.340 -0.000 0.000 0.203 2 Q C 1.606 177.620 176.000 0.023 0.000 0.970 2 Q CA 1.786 57.573 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 -0.570 120.658 121.223 0.008 0.000 1.994 3 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 3 L C 2.139 179.024 176.870 0.026 0.000 1.071 3 L CA 1.403 56.248 54.840 0.009 0.000 0.745 3 L CB -0.647 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 -0.919 121.925 122.820 0.040 0.000 1.877 4 A HA -0.337 3.983 4.320 -0.000 0.000 0.216 4 A C 2.023 179.637 177.584 0.050 0.000 1.186 4 A CA 1.971 54.031 52.037 0.039 0.000 0.620 4 A CB -1.040 17.986 19.000 0.043 0.000 0.822 4 A HN 0.655 nan 8.150 nan 0.000 0.443 5 H N 0.452 119.514 119.070 -0.013 0.000 2.390 5 H HA -0.140 4.416 4.556 -0.000 0.000 0.298 5 H C 1.895 177.212 175.328 -0.018 0.000 1.106 5 H CA 2.063 58.105 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 4.614 4.740 -0.000 0.000 0.185 6 N C 1.850 177.302 175.510 -0.097 0.000 1.014 6 N CA 1.099 54.111 53.050 -0.063 0.000 0.870 6 N CB -0.157 38.315 38.487 -0.024 0.000 0.975 6 N HN 0.450 nan 8.380 nan 0.000 0.433 7 L N 0.322 121.501 121.223 -0.073 0.000 2.217 7 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 7 L C 2.183 179.008 176.870 -0.075 0.000 1.107 7 L CA 1.218 56.024 54.840 -0.056 0.000 0.783 7 L CB -0.579 41.463 42.059 -0.028 0.000 0.919 7 L HN 0.264 nan 8.230 nan 0.000 0.442 8 T N -2.479 111.997 114.554 -0.130 0.000 3.100 8 T HA 0.139 4.489 4.350 -0.000 0.000 0.253 8 T C 0.772 175.386 174.700 -0.143 0.000 1.118 8 T CA -0.172 61.850 62.100 -0.130 0.000 1.058 8 T CB -0.314 68.462 68.868 -0.154 0.000 0.953 8 T HN 0.041 nan 8.240 nan 0.000 0.515 9 L N 1.850 122.970 121.223 -0.170 0.000 2.452 9 L HA 0.525 4.865 4.340 -0.000 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 0.918 42.917 42.059 -0.100 0.000 1.102 9 L HN 0.151 nan 8.230 nan 0.000 0.470 10 S N 0.998 116.692 115.700 -0.009 0.000 2.541 10 S HA 0.383 4.853 4.470 -0.000 0.000 0.280 10 S C 0.711 175.324 174.600 0.021 0.000 1.112 10 S CA -0.898 57.309 58.200 0.012 0.000 0.925 10 S CB 1.426 64.656 63.200 0.050 0.000 1.067 10 S HN 0.612 nan 8.310 nan 0.000 0.479 11 I N 1.142 121.695 120.570 -0.028 0.000 2.454 11 I HA 0.056 4.226 4.170 -0.000 0.000 0.254 11 I C 0.698 176.823 176.117 0.014 0.000 1.156 11 I CA 1.593 62.857 61.300 -0.060 0.000 1.433 11 I CB -0.287 37.610 38.000 -0.171 0.000 1.082 11 I HN 0.510 nan 8.210 nan 0.000 0.432 12 F N 2.275 122.230 119.950 0.008 0.000 2.773 12 F HA 0.221 4.748 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 -1.042 56.962 58.000 0.007 0.000 1.378 12 F CB -0.910 38.092 39.000 0.004 0.000 1.095 12 F HN 0.095 nan 8.300 nan 0.000 0.565 13 D N 2.555 123.066 120.400 0.186 0.000 2.424 13 D HA 0.091 4.731 4.640 -0.000 0.000 0.244 13 D C -1.966 174.394 176.300 0.101 0.000 1.134 13 D CA -1.117 52.951 54.000 0.113 0.000 0.881 13 D CB 0.291 41.139 40.800 0.079 0.000 1.191 13 D HN 0.072 nan 8.370 nan 0.000 0.445 14 P HA 0.044 nan 4.420 nan 0.000 0.275 14 P C -0.010 177.320 177.300 0.050 0.000 1.227 14 P CA -0.535 62.598 63.100 0.054 0.000 0.781 14 P CB 0.808 32.529 31.700 0.035 0.000 0.906 15 V N 0.636 120.574 119.914 0.041 0.000 3.385 15 V HA 0.643 4.763 4.120 -0.000 0.000 0.301 15 V C 0.450 176.556 176.094 0.020 0.000 1.082 15 V CA -0.708 61.607 62.300 0.025 0.000 1.085 15 V CB -0.181 31.649 31.823 0.011 0.000 1.152 15 V HN 0.754 nan 8.190 nan 0.000 0.465 16 A N 1.713 124.527 122.820 -0.010 0.000 2.346 16 A HA 0.306 4.626 4.320 -0.000 0.000 0.252 16 A C 1.119 178.731 177.584 0.046 0.000 1.089 16 A CA 0.033 52.067 52.037 -0.005 0.000 0.797 16 A CB -0.319 18.594 19.000 -0.145 0.000 1.047 16 A HN 1.127 nan 8.150 nan 0.000 0.494 17 N N -0.924 117.865 118.700 0.148 0.000 2.461 17 N HA 0.078 4.818 4.740 -0.000 0.000 0.188 17 N C -0.338 175.366 175.510 0.323 0.000 1.134 17 N CA 0.337 53.517 53.050 0.216 0.000 0.878 17 N CB -0.043 38.592 38.487 0.247 0.000 0.972 17 N HN 0.740 nan 8.380 nan 0.000 0.456 18 Y N -1.307 119.026 120.300 0.056 0.000 2.534 18 Y HA 0.498 5.048 4.550 -0.000 0.000 0.345 18 Y C -1.098 174.816 175.900 0.022 0.000 1.031 18 Y CA -1.626 56.498 58.100 0.040 0.000 1.022 18 Y CB 1.248 39.650 38.460 -0.097 0.000 1.292 18 Y HN -0.227 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 5.021 4.340 -0.000 0.000 0.328 19 R C 0.165 176.463 176.300 -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 4.405 127.170 122.820 -0.091 0.000 1.898 20 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 20 A C 0.988 178.594 177.584 0.037 0.000 1.181 20 A CA 1.264 53.327 52.037 0.043 0.000 0.620 20 A CB -0.336 18.674 19.000 0.017 0.000 0.819 20 A HN 0.772 nan 8.150 nan 0.000 0.442 21 A N 0.202 123.024 122.820 0.003 0.000 2.386 21 A HA 0.531 4.851 4.320 -0.000 0.000 0.248 21 A C 0.296 177.896 177.584 0.026 0.000 1.082 21 A CA -0.370 51.672 52.037 0.009 0.000 0.789 21 A CB 0.208 19.202 19.000 -0.010 0.000 1.025 21 A HN 0.412 nan 8.150 nan 0.000 0.490 22 R N 0.740 121.259 120.500 0.032 0.000 2.589 22 R HA 0.581 4.921 4.340 -0.000 0.000 0.293 22 R C -1.152 175.174 176.300 0.042 0.000 0.963 22 R CA -0.445 55.681 56.100 0.044 0.000 0.905 22 R CB 1.343 31.675 30.300 0.053 0.000 1.144 22 R HN 0.676 nan 8.270 nan 0.000 0.459 23 I N 3.431 124.031 120.570 0.050 0.000 2.377 23 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 23 I C 0.149 176.307 176.117 0.067 0.000 0.987 23 I CA -0.586 60.745 61.300 0.052 0.000 1.185 23 I CB 1.495 39.524 38.000 0.048 0.000 1.341 23 I HN 0.296 nan 8.210 nan 0.000 0.455 24 I N 5.052 125.667 120.570 0.075 0.000 2.404 24 I HA 0.439 4.609 4.170 -0.000 0.000 0.293 24 I C -0.826 175.350 176.117 0.097 0.000 0.992 24 I CA -0.473 60.890 61.300 0.105 0.000 1.149 24 I CB 1.696 39.781 38.000 0.142 0.000 1.315 24 I HN 0.515 nan 8.210 nan 0.000 0.446 25 C N 3.431 122.791 119.300 0.101 0.000 2.408 25 C HA 0.494 4.954 4.460 -0.000 0.000 0.321 25 C C 0.455 175.509 174.990 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 4.582 119.200 114.554 0.106 0.000 2.817 26 T HA 0.408 4.758 4.350 -0.000 0.000 0.293 26 T C 0.038 174.805 174.700 0.112 0.000 0.964 26 T CA -0.163 62.012 62.100 0.124 0.000 1.085 26 T CB 0.287 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 4.718 4.170 -0.000 0.000 0.290 27 I C 0.840 177.066 176.117 0.181 0.000 1.008 27 I CA -0.233 61.147 61.300 0.134 0.000 1.226 27 I CB 0.495 38.567 38.000 0.120 0.000 1.371 27 I HN 0.791 nan 8.210 nan 0.000 0.468 28 G N 6.973 115.858 108.800 0.142 0.000 3.222 28 G HA2 0.548 4.508 3.960 -0.000 0.000 0.263 28 G HA3 0.548 4.508 3.960 -0.000 0.000 0.263 28 G C -2.408 172.581 174.900 0.149 0.000 1.312 28 G CA -0.623 44.569 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 1.552 64.708 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 -1.158 114.559 115.700 0.028 0.000 2.419 30 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 30 S C 1.450 176.062 174.600 0.019 0.000 1.016 30 S CA 1.866 60.072 58.200 0.011 0.000 0.974 30 S CB -0.922 62.275 63.200 -0.005 0.000 0.786 30 S HN 0.375 nan 8.310 nan 0.000 0.492 31 T N -1.631 112.944 114.554 0.035 0.000 3.091 31 T HA 0.300 4.650 4.350 -0.000 0.000 0.277 31 T C 1.107 175.822 174.700 0.026 0.000 0.996 31 T CA -0.359 61.760 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 0.178 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 -0.001 4.339 4.340 -0.000 0.000 0.202 32 Q C 1.176 177.157 176.000 -0.031 0.000 0.970 32 Q CA 0.796 56.586 55.803 -0.022 0.000 0.855 32 Q CB 0.022 28.717 28.738 -0.071 0.000 0.911 32 Q HN 0.669 nan 8.270 nan 0.000 0.438 33 S N -1.078 114.613 115.700 -0.015 0.000 2.572 33 S HA 0.037 4.507 4.470 -0.000 0.000 0.279 33 S C 1.240 175.835 174.600 -0.008 0.000 1.341 33 S CA -0.509 57.682 58.200 -0.014 0.000 1.043 33 S CB 1.484 64.680 63.200 -0.006 0.000 0.887 33 S HN 0.113 nan 8.310 nan 0.000 0.516 34 V N 2.259 122.168 119.914 -0.009 0.000 2.392 34 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 34 V C 2.787 178.882 176.094 0.002 0.000 1.059 34 V CA 2.377 64.674 62.300 -0.004 0.000 1.051 34 V CB -1.160 30.660 31.823 -0.006 0.000 0.658 34 V HN 0.957 nan 8.190 nan 0.000 0.455 35 E N 0.318 120.520 120.200 0.002 0.000 2.077 35 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 35 E C 2.219 178.825 176.600 0.010 0.000 0.989 35 E CA 1.508 57.912 56.400 0.006 0.000 0.800 35 E CB -0.530 29.173 29.700 0.005 0.000 0.746 35 E HN 0.547 nan 8.360 nan 0.000 0.452 36 A N 0.183 123.008 122.820 0.010 0.000 1.902 36 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 36 A C 2.263 179.859 177.584 0.019 0.000 1.181 36 A CA 1.246 53.292 52.037 0.015 0.000 0.623 36 A CB -0.682 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 -1.182 120.051 121.223 0.017 0.000 2.083 37 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 37 L C 2.594 179.477 176.870 0.022 0.000 1.083 37 L CA 1.712 56.564 54.840 0.020 0.000 0.752 37 L CB -0.354 41.714 42.059 0.015 0.000 0.899 37 L HN 0.322 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 4.205 4.320 -0.000 0.000 0.206 38 K C 2.054 178.669 176.600 0.024 0.000 1.049 38 K CA 1.276 57.575 56.287 0.020 0.000 0.933 38 K CB -0.424 32.085 32.500 0.015 0.000 0.717 38 K HN 0.349 nan 8.250 nan 0.000 0.442 39 G N 0.500 109.314 108.800 0.025 0.000 2.418 39 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G C 1.298 176.219 174.900 0.034 0.000 1.158 39 G CA 0.510 45.628 45.100 0.029 0.000 0.771 39 G HN 0.092 nan 8.290 nan 0.000 0.545 40 L N 0.470 121.715 121.223 0.035 0.000 2.046 40 L HA 0.108 4.448 4.340 -0.000 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 0.041 0.000 0.747 40 L CB -0.522 41.562 42.059 0.041 0.000 0.896 40 L HN 0.205 nan 8.230 nan 0.000 0.432 41 I N -1.250 119.342 120.570 0.038 0.000 2.226 41 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 41 I C 2.452 178.594 176.117 0.041 0.000 1.100 41 I CA 1.143 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 -0.238 119.584 119.800 0.036 0.000 2.167 42 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 42 Q C 2.305 178.326 176.000 0.035 0.000 0.970 42 Q CA 1.502 57.325 55.803 0.035 0.000 0.855 42 Q CB -0.086 28.670 28.738 0.029 0.000 0.911 42 Q HN 0.407 nan 8.270 nan 0.000 0.438 43 S N -1.062 114.660 115.700 0.037 0.000 2.453 43 S HA 0.031 4.501 4.470 -0.000 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 0.397 63.623 63.200 0.044 0.000 0.774 43 S HN 0.657 nan 8.310 nan 0.000 0.510 44 G N 1.070 109.896 108.800 0.044 0.000 2.200 44 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.145 44 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.145 44 G C -0.045 174.886 174.900 0.052 0.000 1.021 44 G CA -0.202 44.927 45.100 0.048 0.000 0.720 44 G HN 0.408 nan 8.290 nan 0.000 0.494 45 M N 1.354 120.985 119.600 0.052 0.000 2.188 45 M HA 0.599 5.079 4.480 -0.000 0.000 0.354 45 M C 0.940 177.273 176.300 0.056 0.000 1.342 45 M CA 0.426 55.759 55.300 0.055 0.000 1.117 45 M CB 0.997 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 3.316 119.052 115.700 0.061 0.000 2.506 46 S HA 0.231 4.701 4.470 -0.000 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 63.733 63.200 0.064 0.000 0.812 46 S HN 0.642 nan 8.310 nan 0.000 0.497 47 V N 1.624 121.580 119.914 0.070 0.000 2.638 47 V HA 0.779 4.899 4.120 -0.000 0.000 0.306 47 V C -0.667 175.471 176.094 0.074 0.000 1.052 47 V CA -1.129 61.215 62.300 0.073 0.000 0.885 47 V CB 1.459 33.352 31.823 0.116 0.000 0.999 47 V HN 0.259 nan 8.190 nan 0.000 0.424 48 A N 4.585 127.435 122.820 0.050 0.000 2.276 48 A HA 0.802 5.122 4.320 -0.000 0.000 0.316 48 A C -0.140 177.471 177.584 0.045 0.000 1.229 48 A CA -0.619 51.452 52.037 0.057 0.000 0.851 48 A CB 0.712 19.741 19.000 0.048 0.000 1.165 48 A HN 0.867 nan 8.150 nan 0.000 0.513 49 R N 3.291 123.843 120.500 0.087 0.000 2.338 49 R HA 0.634 4.974 4.340 -0.000 0.000 0.317 49 R C -1.061 175.314 176.300 0.125 0.000 0.968 49 R CA -0.384 55.768 56.100 0.086 0.000 0.849 49 R CB 0.751 31.177 30.300 0.211 0.000 1.128 49 R HN 0.783 nan 8.270 nan 0.000 0.448 50 M N 3.548 123.211 119.600 0.105 0.000 2.205 50 M HA 0.254 4.734 4.480 -0.000 0.000 0.344 50 M C -0.411 175.988 176.300 0.164 0.000 1.085 50 M CA -0.856 54.542 55.300 0.163 0.000 1.001 50 M CB 1.670 34.356 32.600 0.142 0.000 1.626 50 M HN 0.409 nan 8.290 nan 0.000 0.442 51 N N 2.148 120.991 118.700 0.240 0.000 2.426 51 N HA 0.259 4.999 4.740 -0.000 0.000 0.257 51 N C -0.574 175.086 175.510 0.251 0.000 1.002 51 N CA -0.248 52.964 53.050 0.271 0.000 0.942 51 N CB 0.569 39.254 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 0.129 4.656 4.527 -0.000 0.000 0.301 52 F C 2.066 177.877 175.800 0.018 0.000 1.151 52 F CA 0.161 58.155 58.000 -0.010 0.000 1.412 52 F CB 0.077 39.039 39.000 -0.064 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 0.042 0.000 2.481 53 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 53 S C 0.145 174.477 174.600 -0.446 0.000 0.996 53 S CA 0.681 58.734 58.200 -0.245 0.000 0.942 53 S CB -0.402 62.550 63.200 -0.414 0.000 0.768 53 S HN 0.392 nan 8.310 nan 0.000 0.520 54 H N -1.142 117.972 119.070 0.073 0.000 2.797 54 H HA 0.608 5.164 4.556 -0.000 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 0.217 nan 8.280 nan 0.000 0.551 55 G N 0.625 109.322 108.800 -0.173 0.000 2.642 55 G HA2 0.054 4.014 3.960 -0.000 0.000 0.231 55 G HA3 0.054 4.014 3.960 -0.000 0.000 0.231 55 G C -0.491 174.259 174.900 -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 -3.296 112.248 115.700 -0.260 0.000 2.672 56 S HA 0.647 5.117 4.470 -0.000 0.000 0.271 56 S C 0.525 175.082 174.600 -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 64.385 63.200 -0.103 0.000 1.150 56 S HN 0.931 nan 8.310 nan 0.000 0.478 57 H N 0.173 119.087 119.070 -0.260 0.000 2.387 57 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 57 H C 1.983 177.213 175.328 -0.164 0.000 1.090 57 H CA 1.624 57.402 56.048 -0.450 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 0.579 120.814 120.200 0.058 0.000 2.051 58 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 58 E C 1.938 178.565 176.600 0.044 0.000 0.991 58 E CA 0.932 57.374 56.400 0.069 0.000 0.799 58 E CB -0.079 29.648 29.700 0.045 0.000 0.748 58 E HN 0.456 nan 8.360 nan 0.000 0.449 59 Y N 0.755 120.968 120.300 -0.145 0.000 2.145 59 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 59 Y C 2.287 178.067 175.900 -0.200 0.000 1.145 59 Y CA 2.070 60.039 58.100 -0.218 0.000 1.148 59 Y CB -0.189 38.047 38.460 -0.374 0.000 0.981 59 Y HN 0.199 nan 8.280 nan 0.000 0.507 60 H N -0.698 118.390 119.070 0.030 0.000 2.423 60 H HA -0.138 4.418 4.556 -0.000 0.000 0.297 60 H C 2.062 177.445 175.328 0.092 0.000 1.075 60 H CA 1.586 57.641 56.048 0.012 0.000 1.342 60 H CB -0.282 29.417 29.762 -0.106 0.000 1.395 60 H HN 0.401 nan 8.280 nan 0.000 0.530 61 Q N 0.717 120.666 119.800 0.248 0.000 2.084 61 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 61 Q C 2.074 178.116 176.000 0.069 0.000 0.978 61 Q CA 1.969 57.914 55.803 0.236 0.000 0.844 61 Q CB -0.225 28.675 28.738 0.270 0.000 0.898 61 Q HN 0.300 nan 8.270 nan 0.000 0.426 62 T N -0.421 114.111 114.554 -0.037 0.000 2.746 62 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 62 T C 1.716 176.354 174.700 -0.104 0.000 1.039 62 T CA 1.698 63.736 62.100 -0.104 0.000 1.142 62 T CB -0.576 68.160 68.868 -0.219 0.000 0.866 62 T HN 0.374 nan 8.240 nan 0.000 0.444 63 T N 1.939 116.420 114.554 -0.122 0.000 2.746 63 T HA 0.039 4.389 4.350 -0.000 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 -0.391 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 1.510 122.108 120.570 0.047 0.000 2.179 64 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 64 I C 2.339 178.460 176.117 0.006 0.000 1.088 64 I CA 0.985 62.307 61.300 0.037 0.000 1.357 64 I CB -0.322 37.708 38.000 0.051 0.000 1.051 64 I HN 0.174 nan 8.210 nan 0.000 0.409 65 N N 1.037 119.738 118.700 0.002 0.000 2.142 65 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 65 N C 1.552 177.053 175.510 -0.014 0.000 1.023 65 N CA 1.254 54.298 53.050 -0.009 0.000 0.852 65 N CB -0.690 37.791 38.487 -0.009 0.000 0.998 65 N HN 0.315 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 4.674 4.740 -0.000 0.000 0.186 66 N C 1.786 177.291 175.510 -0.009 0.000 1.019 66 N CA 0.433 53.471 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 0.991 120.903 119.914 -0.004 0.000 2.307 67 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 67 V C 2.273 178.365 176.094 -0.004 0.000 1.045 67 V CA 1.502 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 -0.010 0.000 2.081 68 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 68 R C 2.464 178.756 176.300 -0.014 0.000 1.131 68 R CA 1.742 57.832 56.100 -0.017 0.000 0.960 68 R CB -0.349 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 4.195 4.340 -0.000 0.000 0.202 69 Q C 2.000 177.998 176.000 -0.005 0.000 0.978 69 Q CA 1.642 57.440 55.803 -0.009 0.000 0.844 69 Q CB -0.046 28.686 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 1.902 70 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 70 A C 2.254 179.842 177.584 0.006 0.000 1.181 70 A CA 1.620 53.659 52.037 0.003 0.000 0.623 70 A CB -0.874 18.130 19.000 0.006 0.000 0.818 70 A HN 0.537 nan 8.150 nan 0.000 0.443 71 A N -0.133 122.690 122.820 0.004 0.000 1.902 71 A HA 0.176 4.496 4.320 -0.000 0.000 0.217 71 A C 2.496 180.082 177.584 0.003 0.000 1.181 71 A CA 2.031 54.072 52.037 0.005 0.000 0.623 71 A CB -0.986 18.014 19.000 -0.000 0.000 0.818 71 A HN 1.036 nan 8.150 nan 0.000 0.443 72 A N -0.329 122.488 122.820 -0.004 0.000 1.902 72 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 72 A C 1.904 179.489 177.584 0.002 0.000 1.181 72 A CA 1.703 53.736 52.037 -0.005 0.000 0.623 72 A CB -0.522 18.471 19.000 -0.011 0.000 0.818 72 A HN 0.616 nan 8.150 nan 0.000 0.443 73 E N -0.745 119.456 120.200 0.003 0.000 2.204 73 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 73 E C 1.247 177.853 176.600 0.011 0.000 0.990 73 E CA 0.718 57.121 56.400 0.006 0.000 0.821 73 E CB -0.089 29.614 29.700 0.005 0.000 0.750 73 E HN 0.598 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 4.577 4.340 -0.000 0.000 0.235 74 L C 0.869 177.755 176.870 0.027 0.000 1.127 74 L CA -0.008 54.845 54.840 0.021 0.000 0.914 74 L CB 0.573 42.646 42.059 0.023 0.000 1.193 74 L HN 0.169 nan 8.230 nan 0.000 0.502 75 G N 1.692 110.506 108.800 0.024 0.000 2.338 75 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.296 75 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.296 75 G C -0.046 174.879 174.900 0.041 0.000 1.040 75 G CA 0.509 45.627 45.100 0.031 0.000 1.004 75 G HN 0.286 nan 8.290 nan 0.000 0.509 76 V N -3.842 116.091 119.914 0.031 0.000 3.130 76 V HA 0.787 4.907 4.120 -0.000 0.000 0.310 76 V C -0.336 175.768 176.094 0.017 0.000 1.158 76 V CA -1.960 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 2.146 120.856 118.700 0.016 0.000 2.424 77 N HA 0.595 5.335 4.740 -0.000 0.000 0.271 77 N C -1.378 174.136 175.510 0.007 0.000 0.985 77 N CA -0.326 52.721 53.050 -0.005 0.000 0.921 77 N CB 1.992 40.468 38.487 -0.019 0.000 1.149 77 N HN 0.574 nan 8.380 nan 0.000 0.492 78 I N 1.581 122.151 120.570 0.001 0.000 2.406 78 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 78 I C 0.575 176.692 176.117 -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 39.095 38.000 0.015 0.000 1.289 78 I HN 0.378 nan 8.210 nan 0.000 0.441 79 A N 7.586 130.410 122.820 0.007 0.000 2.445 79 A HA 0.551 4.871 4.320 -0.000 0.000 0.242 79 A C -0.086 177.486 177.584 -0.019 0.000 1.075 79 A CA 0.007 52.040 52.037 -0.007 0.000 0.777 79 A CB 0.206 19.210 19.000 0.008 0.000 1.013 79 A HN 0.648 nan 8.150 nan 0.000 0.493 80 I N 1.429 121.970 120.570 -0.047 0.000 2.378 80 I HA 0.515 4.685 4.170 -0.000 0.000 0.291 80 I C 0.399 176.434 176.117 -0.137 0.000 0.992 80 I CA -0.131 61.131 61.300 -0.063 0.000 1.154 80 I CB 1.843 39.815 38.000 -0.047 0.000 1.315 80 I HN 0.704 nan 8.210 nan 0.000 0.448 81 A N 7.362 130.057 122.820 -0.207 0.000 2.342 81 A HA 0.709 5.029 4.320 -0.000 0.000 0.323 81 A C -1.079 176.279 177.584 -0.376 0.000 1.125 81 A CA -0.524 51.240 52.037 -0.454 0.000 0.785 81 A CB 1.317 19.769 19.000 -0.914 0.000 1.221 81 A HN 0.752 nan 8.150 nan 0.000 0.463 82 L N 2.474 123.468 121.223 -0.380 0.000 2.280 82 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 82 L C -0.928 175.781 176.870 -0.268 0.000 1.023 82 L CA -0.524 54.131 54.840 -0.308 0.000 0.819 82 L CB 0.966 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 4.287 124.625 120.400 -0.103 0.000 2.456 83 D HA 0.125 4.765 4.640 -0.000 0.000 0.219 83 D C 0.009 176.362 176.300 0.089 0.000 1.126 83 D CA -0.153 53.895 54.000 0.080 0.000 0.890 83 D CB 1.090 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 0.597 115.170 114.554 0.032 0.000 2.900 84 T HA 0.044 4.394 4.350 -0.000 0.000 0.307 84 T C 1.322 176.081 174.700 0.098 0.000 1.065 84 T CA -0.374 61.750 62.100 0.040 0.000 1.105 84 T CB 1.949 70.820 68.868 0.005 0.000 0.979 84 T HN 0.357 nan 8.240 nan 0.000 0.544 85 K N 1.935 122.401 120.400 0.111 0.000 2.025 85 K HA 0.159 4.479 4.320 -0.000 0.000 0.207 85 K C 1.181 177.794 176.600 0.022 0.000 1.049 85 K CA 1.096 57.412 56.287 0.049 0.000 0.933 85 K CB -1.006 31.520 32.500 0.042 0.000 0.714 85 K HN 1.191 nan 8.250 nan 0.000 0.438 86 G N 0.863 109.688 108.800 0.041 0.000 2.829 86 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.628 86 G HA3 -0.180 3.780 3.960 -0.000 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 -0.286 176.948 177.300 -0.111 0.000 1.216 87 P CA 0.520 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 1.931 122.070 120.200 -0.101 0.000 2.288 88 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 88 E C -0.442 176.092 176.600 -0.109 0.000 0.885 88 E CA -0.882 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 2.613 123.105 120.570 -0.130 0.000 2.336 89 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 89 I C 0.074 176.181 176.117 -0.018 0.000 0.991 89 I CA -0.465 60.793 61.300 -0.071 0.000 1.227 89 I CB 0.793 38.737 38.000 -0.092 0.000 1.366 89 I HN 0.225 nan 8.210 nan 0.000 0.466 90 R N 3.139 123.647 120.500 0.012 0.000 2.795 90 R HA 0.469 4.809 4.340 -0.000 0.000 0.275 90 R C -0.313 176.024 176.300 0.061 0.000 0.981 90 R CA -0.751 55.376 56.100 0.046 0.000 0.917 90 R CB 2.545 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 -1.121 113.505 114.554 0.120 0.000 2.766 91 T HA 0.290 4.640 4.350 -0.000 0.000 0.295 91 T C 0.920 175.692 174.700 0.119 0.000 1.024 91 T CA -0.323 61.878 62.100 0.168 0.000 1.018 91 T CB 1.030 70.058 68.868 0.265 0.000 1.002 91 T HN 0.614 nan 8.240 nan 0.000 0.532 92 G N -0.013 108.880 108.800 0.154 0.000 2.504 92 G HA2 0.441 4.401 3.960 -0.000 0.000 0.257 92 G HA3 0.441 4.401 3.960 -0.000 0.000 0.257 92 G C -0.383 174.363 174.900 -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 4.766 4.340 -0.000 0.000 0.242 93 Q C -1.345 174.346 176.000 -0.514 0.000 0.932 93 Q CA 0.014 55.646 55.803 -0.285 0.000 0.891 93 Q CB 1.599 30.278 28.738 -0.099 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 4.828 4.527 -0.000 0.000 0.330 94 F C 0.214 176.028 175.800 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 2.052 122.097 119.914 0.218 0.000 2.673 95 V HA 0.298 4.418 4.120 -0.000 0.000 0.303 95 V C 0.970 177.129 176.094 0.107 0.000 1.046 95 V CA 1.052 63.428 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 1.073 nan 8.190 nan 0.000 0.487 96 G N 3.577 112.418 108.800 0.068 0.000 2.155 96 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G C 1.193 176.123 174.900 0.050 0.000 0.983 96 G CA 0.694 45.822 45.100 0.047 0.000 0.676 96 G HN 2.264 nan 8.290 nan 0.000 0.528 97 G N -1.115 107.731 108.800 0.077 0.000 2.284 97 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.261 97 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.261 97 G C 0.153 175.120 174.900 0.112 0.000 0.997 97 G CA 1.352 46.501 45.100 0.081 0.000 0.621 97 G HN 1.740 nan 8.290 nan 0.000 0.534 98 D N -0.718 119.733 120.400 0.084 0.000 2.579 98 D HA 0.808 5.448 4.640 -0.000 0.000 0.257 98 D C -0.562 175.645 176.300 -0.154 0.000 1.176 98 D CA 0.546 54.528 54.000 -0.030 0.000 0.914 98 D CB 1.509 42.272 40.800 -0.062 0.000 1.431 98 D HN 1.172 nan 8.370 nan 0.000 0.454 99 A N 1.007 123.574 122.820 -0.422 0.000 2.480 99 A HA 0.507 4.827 4.320 -0.000 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 -0.491 0.000 0.761 99 A CB 1.324 19.783 19.000 -0.902 0.000 1.289 99 A HN 0.330 nan 8.150 nan 0.000 0.401 100 V N 4.625 124.390 119.914 -0.248 0.000 2.322 100 V HA 0.233 4.353 4.120 -0.000 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 -0.181 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 4.725 124.234 119.600 -0.152 0.000 2.108 101 M HA 0.394 4.874 4.480 -0.000 0.000 0.347 101 M C 0.275 176.556 176.300 -0.032 0.000 1.326 101 M CA 0.222 55.473 55.300 -0.081 0.000 1.126 101 M CB 0.382 32.937 32.600 -0.076 0.000 1.606 101 M HN 0.578 nan 8.290 nan 0.000 0.462 102 E N 2.228 122.419 120.200 -0.015 0.000 2.248 102 E HA 0.391 4.741 4.350 -0.000 0.000 0.272 102 E C -0.189 176.415 176.600 0.007 0.000 1.008 102 E CA -0.896 55.502 56.400 -0.004 0.000 0.856 102 E CB 2.022 31.719 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 0.122 4.462 4.340 -0.000 0.000 0.280 103 R C 0.763 177.069 176.300 0.010 0.000 1.058 103 R CA 1.333 57.440 56.100 0.011 0.000 1.057 103 R CB 0.045 30.350 30.300 0.007 0.000 0.973 103 R HN 0.856 nan 8.270 nan 0.000 0.438 104 G N 2.178 110.985 108.800 0.012 0.000 2.268 104 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G C 0.181 175.083 174.900 0.004 0.000 1.010 104 G CA 0.119 45.224 45.100 0.008 0.000 0.618 104 G HN 0.973 nan 8.290 nan 0.000 0.516 105 A N 0.389 123.212 122.820 0.006 0.000 2.466 105 A HA 0.582 4.902 4.320 -0.000 0.000 0.238 105 A C 0.698 178.273 177.584 -0.015 0.000 1.074 105 A CA 1.503 53.542 52.037 0.004 0.000 0.774 105 A CB 0.221 19.229 19.000 0.012 0.000 1.015 105 A HN 0.849 nan 8.150 nan 0.000 0.498 106 T N 1.198 115.736 114.554 -0.027 0.000 2.799 106 T HA 0.507 4.857 4.350 -0.000 0.000 0.286 106 T C 0.069 174.701 174.700 -0.113 0.000 0.973 106 T CA 0.119 62.158 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 2.543 121.713 119.300 -0.217 0.000 3.154 107 C HA 0.859 5.319 4.460 -0.000 0.000 0.312 107 C C -1.749 172.968 174.990 -0.455 0.000 1.349 107 C CA -1.226 57.704 59.018 -0.146 0.000 1.518 107 C CB 0.322 28.123 27.740 0.102 0.000 1.934 107 C HN 0.804 nan 8.230 nan 0.000 0.462 108 Y N 0.873 121.146 120.300 -0.045 0.000 2.361 108 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 108 Y C 0.297 176.006 175.900 -0.319 0.000 0.965 108 Y CA -0.689 57.323 58.100 -0.148 0.000 1.091 108 Y CB 2.066 40.444 38.460 -0.136 0.000 1.182 108 Y HN 0.827 nan 8.280 nan 0.000 0.450 109 V N 0.499 120.250 119.914 -0.272 0.000 2.417 109 V HA 0.837 4.957 4.120 -0.000 0.000 0.291 109 V C -0.484 175.452 176.094 -0.263 0.000 1.024 109 V CA -0.274 61.734 62.300 -0.488 0.000 0.861 109 V CB 1.432 32.940 31.823 -0.525 0.000 0.985 109 V HN 0.772 nan 8.190 nan 0.000 0.436 110 T N 2.571 116.980 114.554 -0.241 0.000 2.907 110 T HA 0.570 4.920 4.350 -0.000 0.000 0.292 110 T C 0.788 175.470 174.700 -0.030 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 0.022 114.579 114.554 0.005 0.000 3.105 111 T HA 0.211 4.561 4.350 -0.000 0.000 0.253 111 T C 0.366 175.243 174.700 0.295 0.000 1.047 111 T CA -0.371 61.769 62.100 0.066 0.000 0.944 111 T CB -0.150 68.697 68.868 -0.034 0.000 1.016 111 T HN 0.524 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 0.095 4.735 4.640 -0.000 0.000 0.257 112 D C -1.027 175.449 176.300 0.294 0.000 1.217 112 D CA -2.169 51.988 54.000 0.261 0.000 0.897 112 D CB 1.520 42.469 40.800 0.248 0.000 1.132 112 D HN 0.105 nan 8.370 nan 0.000 0.493 113 P HA -0.082 nan 4.420 nan 0.000 0.223 113 P C 1.089 178.266 177.300 -0.205 0.000 1.151 113 P CA 0.580 63.594 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 -0.345 122.437 122.820 -0.063 0.000 2.054 114 A HA -0.187 4.133 4.320 -0.000 0.000 0.223 114 A C 1.639 179.007 177.584 -0.360 0.000 1.169 114 A CA 1.471 53.399 52.037 -0.181 0.000 0.655 114 A CB -1.821 17.086 19.000 -0.155 0.000 0.812 114 A HN 0.194 nan 8.150 nan 0.000 0.462 115 F N -1.150 118.706 119.950 -0.157 0.000 2.693 115 F HA 0.344 4.871 4.527 -0.000 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 0.072 39.093 39.000 0.036 0.000 1.067 115 F HN 0.230 nan 8.300 nan 0.000 0.565 116 A N 0.263 122.875 122.820 -0.346 0.000 2.015 116 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 116 A C 1.476 178.968 177.584 -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 18.135 19.000 -0.614 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 4.717 4.640 -0.000 0.000 0.231 117 D C 0.380 176.647 176.300 -0.054 0.000 1.229 117 D CA 0.044 53.991 54.000 -0.088 0.000 0.828 117 D CB -0.247 40.500 40.800 -0.088 0.000 1.035 117 D HN 0.541 nan 8.370 nan 0.000 0.495 118 K N -0.385 120.003 120.400 -0.020 0.000 3.147 118 K HA 0.382 4.702 4.320 -0.000 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 0.404 32.873 32.500 -0.052 0.000 0.700 118 K HN -0.008 nan 8.250 nan 0.000 0.424 119 G N 1.114 110.036 108.800 0.204 0.000 2.667 119 G HA2 0.402 4.362 3.960 -0.000 0.000 0.250 119 G HA3 0.402 4.362 3.960 -0.000 0.000 0.250 119 G C -0.148 175.023 174.900 0.453 0.000 1.212 119 G CA 0.350 45.675 45.100 0.374 0.000 0.874 119 G HN 0.419 nan 8.290 nan 0.000 0.561 120 T N -3.222 111.655 114.554 0.539 0.000 2.762 120 T HA 0.390 4.740 4.350 -0.000 0.000 0.301 120 T C 1.084 175.986 174.700 0.337 0.000 1.299 120 T CA -0.160 62.165 62.100 0.375 0.000 1.005 120 T CB 1.581 70.597 68.868 0.248 0.000 1.377 120 T HN 0.636 nan 8.240 nan 0.000 0.504 121 K N 0.226 120.708 120.400 0.136 0.000 2.211 121 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 121 K C 0.926 177.661 176.600 0.224 0.000 1.047 121 K CA 1.943 58.282 56.287 0.087 0.000 0.935 121 K CB -0.384 32.114 32.500 -0.004 0.000 0.728 121 K HN 0.488 nan 8.250 nan 0.000 0.452 122 D N 0.933 121.476 120.400 0.238 0.000 2.123 122 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 122 D C 0.281 176.775 176.300 0.323 0.000 0.976 122 D CA 1.185 55.336 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 -0.310 120.296 120.400 0.343 0.000 2.571 123 K HA 0.318 4.638 4.320 -0.000 0.000 0.252 123 K C -1.751 175.070 176.600 0.368 0.000 0.956 123 K CA -0.571 55.861 56.287 0.243 0.000 0.822 123 K CB 1.179 33.691 32.500 0.019 0.000 1.286 123 K HN -0.064 nan 8.250 nan 0.000 0.439 124 F N 0.923 120.975 119.950 0.169 0.000 2.715 124 F HA 0.541 5.068 4.527 -0.000 0.000 0.318 124 F C -1.778 174.135 175.800 0.187 0.000 1.141 124 F CA -1.317 56.810 58.000 0.211 0.000 0.950 124 F CB 0.605 39.802 39.000 0.329 0.000 1.374 124 F HN 0.383 nan 8.300 nan 0.000 0.477 125 Y N 2.147 122.564 120.300 0.195 0.000 2.323 125 Y HA 0.741 5.291 4.550 -0.000 0.000 0.331 125 Y C -1.042 174.937 175.900 0.131 0.000 1.092 125 Y CA -1.360 56.793 58.100 0.088 0.000 1.150 125 Y CB 1.050 39.585 38.460 0.125 0.000 1.200 125 Y HN 0.610 nan 8.280 nan 0.000 0.472 126 I N 5.732 126.052 120.570 -0.417 0.000 2.433 126 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 126 I C -0.223 175.408 176.117 -0.810 0.000 1.001 126 I CA -0.708 60.363 61.300 -0.381 0.000 1.119 126 I CB 1.771 39.686 38.000 -0.141 0.000 1.289 126 I HN 0.703 nan 8.210 nan 0.000 0.438 127 D N 4.833 124.889 120.400 -0.573 0.000 2.319 127 D HA -0.140 4.500 4.640 -0.000 0.000 0.230 127 D C -0.075 176.185 176.300 -0.066 0.000 1.094 127 D CA 0.089 53.808 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 2.064 122.254 120.300 -0.182 0.000 2.518 128 Y HA 0.251 4.801 4.550 -0.000 0.000 0.344 128 Y C 1.020 176.886 175.900 -0.057 0.000 0.982 128 Y CA -1.118 56.940 58.100 -0.070 0.000 1.234 128 Y CB 0.980 39.415 38.460 -0.042 0.000 1.114 128 Y HN -0.218 nan 8.280 nan 0.000 0.515 129 Q N 3.061 122.813 119.800 -0.080 0.000 2.291 129 Q HA -0.141 4.199 4.340 -0.000 0.000 0.206 129 Q C 0.585 176.396 176.000 -0.315 0.000 0.976 129 Q CA 1.003 56.721 55.803 -0.142 0.000 0.875 129 Q CB 0.087 28.811 28.738 -0.022 0.000 0.927 129 Q HN 0.681 nan 8.270 nan 0.000 0.450 130 N N 0.547 118.847 118.700 -0.667 0.000 2.370 130 N HA -0.022 4.718 4.740 -0.000 0.000 0.198 130 N C 1.403 176.463 175.510 -0.750 0.000 1.156 130 N CA -0.051 52.594 53.050 -0.676 0.000 0.839 130 N CB 0.069 38.203 38.487 -0.588 0.000 0.989 130 N HN 0.125 nan 8.380 nan 0.000 0.468 131 L N 0.698 121.503 121.223 -0.697 0.000 1.997 131 L HA -0.210 4.130 4.340 -0.000 0.000 0.216 131 L C 1.960 178.754 176.870 -0.127 0.000 1.074 131 L CA 1.774 56.431 54.840 -0.304 0.000 0.763 131 L CB -0.873 41.109 42.059 -0.129 0.000 0.890 131 L HN 0.046 nan 8.230 nan 0.000 0.434 132 S N -0.757 114.888 115.700 -0.092 0.000 2.382 132 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 132 S C 1.808 176.427 174.600 0.032 0.000 1.027 132 S CA 1.439 59.665 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 0.541 120.899 120.400 -0.071 0.000 2.211 133 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 133 K C 1.718 178.306 176.600 -0.019 0.000 1.050 133 K CA 0.826 57.074 56.287 -0.065 0.000 0.945 133 K CB -0.096 32.352 32.500 -0.087 0.000 0.732 133 K HN 0.184 nan 8.250 nan 0.000 0.451 134 V N 0.962 120.868 119.914 -0.014 0.000 2.992 134 V HA -0.010 4.110 4.120 -0.000 0.000 0.250 134 V C 0.784 176.902 176.094 0.041 0.000 1.090 134 V CA 0.510 62.831 62.300 0.036 0.000 1.101 134 V CB 0.604 32.491 31.823 0.107 0.000 0.743 134 V HN -0.054 nan 8.190 nan 0.000 0.468 135 V N 0.658 120.598 119.914 0.044 0.000 2.713 135 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 135 V C 0.025 176.140 176.094 0.035 0.000 1.052 135 V CA -0.652 61.659 62.300 0.018 0.000 0.967 135 V CB 1.728 33.544 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 4.839 4.340 -0.000 0.000 0.266 136 R C -2.824 173.406 176.300 -0.117 0.000 1.020 136 R CA -2.123 53.964 56.100 -0.022 0.000 0.963 136 R CB 1.369 31.669 30.300 -0.002 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 0.537 177.744 177.300 -0.155 0.000 1.172 137 P CA 1.401 64.410 63.100 -0.152 0.000 0.760 137 P CB 0.444 32.083 31.700 -0.101 0.000 0.773 138 G N 2.567 111.236 108.800 -0.218 0.000 2.349 138 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.213 138 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.213 138 G C 0.473 175.089 174.900 -0.474 0.000 1.044 138 G CA -0.463 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 0.606 119.107 118.700 -0.332 0.000 2.374 139 N HA 0.387 5.127 4.740 -0.000 0.000 0.241 139 N C -0.458 174.804 175.510 -0.413 0.000 1.262 139 N CA 0.502 53.366 53.050 -0.311 0.000 0.880 139 N CB 0.051 38.446 38.487 -0.153 0.000 1.105 139 N HN 0.345 nan 8.380 nan 0.000 0.438 140 Y N 0.349 120.610 120.300 -0.066 0.000 2.420 140 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 140 Y C 0.379 176.225 175.900 -0.090 0.000 1.094 140 Y CA -0.539 57.538 58.100 -0.039 0.000 1.126 140 Y CB 1.170 39.628 38.460 -0.003 0.000 1.217 140 Y HN 0.256 nan 8.280 nan 0.000 0.462 141 I N 3.889 124.570 120.570 0.187 0.000 2.439 141 I HA 0.217 4.387 4.170 -0.000 0.000 0.283 141 I C -1.333 174.970 176.117 0.309 0.000 1.023 141 I CA -0.858 60.525 61.300 0.138 0.000 1.100 141 I CB 0.751 38.814 38.000 0.106 0.000 1.238 141 I HN 0.426 nan 8.210 nan 0.000 0.445 142 Y N 6.669 127.035 120.300 0.110 0.000 2.313 142 Y HA 0.561 5.111 4.550 -0.000 0.000 0.332 142 Y C 0.255 176.213 175.900 0.097 0.000 1.071 142 Y CA -1.267 56.886 58.100 0.089 0.000 1.169 142 Y CB 1.027 39.521 38.460 0.057 0.000 1.192 142 Y HN 0.304 nan 8.280 nan 0.000 0.487 143 I N 2.551 123.273 120.570 0.254 0.000 2.582 143 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 143 I C -0.546 175.660 176.117 0.149 0.000 1.066 143 I CA -0.836 60.583 61.300 0.199 0.000 1.053 143 I CB 1.999 40.132 38.000 0.222 0.000 1.241 143 I HN 0.541 nan 8.210 nan 0.000 0.421 144 D N 4.784 125.263 120.400 0.132 0.000 2.767 144 D HA -0.180 4.460 4.640 -0.000 0.000 0.239 144 D C -0.070 176.274 176.300 0.074 0.000 1.103 144 D CA 1.078 55.146 54.000 0.114 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 4.507 4.640 -0.000 0.000 0.208 145 D C 1.106 177.408 176.300 0.003 0.000 1.079 145 D CA 1.846 55.868 54.000 0.037 0.000 0.986 145 D CB -1.481 39.330 40.800 0.018 0.000 1.090 145 D HN 1.234 nan 8.370 nan 0.000 0.428 146 G N 0.213 109.022 108.800 0.014 0.000 2.143 146 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G C 1.148 175.852 174.900 -0.326 0.000 0.981 146 G CA 0.498 45.489 45.100 -0.183 0.000 0.665 146 G HN 0.513 nan 8.290 nan 0.000 0.528 147 I N -0.757 119.704 120.570 -0.181 0.000 2.286 147 I HA 0.089 4.259 4.170 -0.000 0.000 0.245 147 I C 1.380 177.358 176.117 -0.231 0.000 1.104 147 I CA 0.718 61.857 61.300 -0.268 0.000 1.397 147 I CB -0.013 37.765 38.000 -0.370 0.000 1.072 147 I HN 0.268 nan 8.210 nan 0.000 0.417 148 L N 1.881 123.072 121.223 -0.054 0.000 2.264 148 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 148 L C -0.555 176.339 176.870 0.041 0.000 1.044 148 L CA 0.115 54.979 54.840 0.039 0.000 0.807 148 L CB 0.716 42.866 42.059 0.151 0.000 1.192 148 L HN -0.044 nan 8.230 nan 0.000 0.425 149 I N 6.752 127.339 120.570 0.029 0.000 2.359 149 I HA 0.302 4.472 4.170 -0.000 0.000 0.284 149 I C -0.606 175.625 176.117 0.190 0.000 1.018 149 I CA -0.423 60.951 61.300 0.125 0.000 1.173 149 I CB 1.026 39.032 38.000 0.010 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 4.821 4.340 -0.000 0.000 0.273 150 L C -0.064 176.935 176.870 0.215 0.000 1.080 150 L CA -0.521 54.428 54.840 0.182 0.000 0.803 150 L CB 1.275 43.425 42.059 0.152 0.000 1.174 150 L HN 0.582 nan 8.230 nan 0.000 0.443 151 Q N 1.450 121.324 119.800 0.123 0.000 2.316 151 Q HA 0.406 4.746 4.340 -0.000 0.000 0.264 151 Q C -1.250 174.688 176.000 -0.103 0.000 0.987 151 Q CA -0.753 55.046 55.803 -0.006 0.000 0.852 151 Q CB 2.309 31.019 28.738 -0.046 0.000 1.287 151 Q HN 0.459 nan 8.270 nan 0.000 0.448 152 V N 5.008 124.820 119.914 -0.170 0.000 2.479 152 V HA -0.026 4.094 4.120 -0.000 0.000 0.281 152 V C 0.655 176.633 176.094 -0.194 0.000 1.031 152 V CA 0.178 62.367 62.300 -0.186 0.000 1.038 152 V CB 1.128 32.830 31.823 -0.202 0.000 0.981 152 V HN 0.875 nan 8.190 nan 0.000 0.478 153 Q N 2.999 122.692 119.800 -0.178 0.000 2.387 153 Q HA 0.212 4.552 4.340 -0.000 0.000 0.208 153 Q C 0.675 176.586 176.000 -0.150 0.000 0.935 153 Q CA 0.818 56.534 55.803 -0.145 0.000 0.891 153 Q CB 0.684 29.352 28.738 -0.116 0.000 1.007 153 Q HN 0.896 nan 8.270 nan 0.000 0.548 154 S N -0.955 114.636 115.700 -0.182 0.000 2.611 154 S HA 0.416 4.886 4.470 -0.000 0.000 0.268 154 S C -1.286 173.168 174.600 -0.243 0.000 1.156 154 S CA -0.937 57.159 58.200 -0.173 0.000 0.817 154 S CB 0.698 63.867 63.200 -0.051 0.000 1.122 154 S HN 0.226 nan 8.310 nan 0.000 0.466 155 H N 1.060 120.121 119.070 -0.016 0.000 2.911 155 H HA 0.372 4.928 4.556 -0.000 0.000 0.273 155 H C 1.110 176.445 175.328 0.011 0.000 1.157 155 H CA -0.165 55.877 56.048 -0.011 0.000 1.402 155 H CB 1.140 30.889 29.762 -0.022 0.000 1.463 155 H HN 0.856 nan 8.280 nan 0.000 0.475 156 E N 2.670 122.938 120.200 0.115 0.000 2.070 156 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 156 E C 0.175 176.811 176.600 0.060 0.000 1.004 156 E CA 2.112 58.573 56.400 0.101 0.000 0.805 156 E CB 0.314 30.094 29.700 0.132 0.000 0.744 156 E HN 0.876 nan 8.360 nan 0.000 0.451 157 D N -2.910 117.527 120.400 0.062 0.000 2.921 157 D HA 0.135 4.775 4.640 -0.000 0.000 0.329 157 D C 0.245 176.562 176.300 0.029 0.000 1.293 157 D CA -0.566 53.452 54.000 0.031 0.000 0.964 157 D CB -0.300 40.499 40.800 -0.002 0.000 1.435 157 D HN -0.048 nan 8.370 nan 0.000 0.548 158 E N -1.115 119.080 120.200 -0.007 0.000 2.409 158 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 158 E C 0.676 177.264 176.600 -0.020 0.000 1.024 158 E CA 0.859 57.239 56.400 -0.034 0.000 0.861 158 E CB 0.111 29.785 29.700 -0.045 0.000 0.788 158 E HN 0.350 nan 8.360 nan 0.000 0.521 159 Q N -0.883 118.917 119.800 -0.001 0.000 2.164 159 Q HA 0.127 4.467 4.340 -0.000 0.000 0.226 159 Q C -0.545 175.450 176.000 -0.008 0.000 0.813 159 Q CA 0.131 55.932 55.803 -0.003 0.000 0.978 159 Q CB 1.859 30.603 28.738 0.009 0.000 1.149 159 Q HN -0.076 nan 8.270 nan 0.000 0.489 160 T N 0.836 115.396 114.554 0.010 0.000 2.916 160 T HA 0.537 4.887 4.350 -0.000 0.000 0.298 160 T C -0.941 173.781 174.700 0.037 0.000 1.031 160 T CA -0.505 61.592 62.100 -0.005 0.000 0.993 160 T CB 1.504 70.354 68.868 -0.030 0.000 1.045 160 T HN 0.023 nan 8.240 nan 0.000 0.454 161 L N 2.341 123.556 121.223 -0.012 0.000 2.322 161 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 161 L C 0.483 177.305 176.870 -0.080 0.000 1.014 161 L CA -0.879 53.918 54.840 -0.071 0.000 0.815 161 L CB 1.682 43.657 42.059 -0.140 0.000 1.247 161 L HN 0.644 nan 8.230 nan 0.000 0.421 162 E N 2.604 122.746 120.200 -0.097 0.000 2.259 162 E HA 0.283 4.633 4.350 -0.000 0.000 0.281 162 E C -1.381 175.039 176.600 -0.300 0.000 1.037 162 E CA -0.457 55.755 56.400 -0.313 0.000 0.854 162 E CB 1.057 30.667 29.700 -0.149 0.000 1.051 162 E HN 0.596 nan 8.360 nan 0.000 0.409 163 C N 3.277 122.364 119.300 -0.356 0.000 2.614 163 C HA 0.452 4.912 4.460 -0.000 0.000 0.320 163 C C -0.007 174.882 174.990 -0.169 0.000 1.200 163 C CA -0.651 58.245 59.018 -0.204 0.000 1.700 163 C CB 1.697 29.357 27.740 -0.133 0.000 2.275 163 C HN 0.724 nan 8.230 nan 0.000 0.492 164 T N 1.805 116.304 114.554 -0.093 0.000 2.845 164 T HA 0.359 4.709 4.350 -0.000 0.000 0.288 164 T C -0.099 174.605 174.700 0.006 0.000 0.980 164 T CA -0.205 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 4.340 124.264 119.914 0.015 0.000 2.389 165 V HA 0.147 4.267 4.120 -0.000 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 0.044 0.000 0.932 165 V CB 0.577 32.422 31.823 0.037 0.000 1.011 165 V HN 1.187 nan 8.190 nan 0.000 0.475 166 T N 0.932 115.527 114.554 0.068 0.000 3.067 166 T HA 0.057 4.407 4.350 -0.000 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 -0.103 118.609 118.700 0.020 0.000 2.484 167 N HA 0.238 4.978 4.740 -0.000 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 1.617 40.083 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 4.833 4.470 -0.000 0.000 0.276 168 S C -0.878 173.785 174.600 0.106 0.000 1.326 168 S CA 0.146 58.368 58.200 0.037 0.000 1.045 168 S CB -0.287 62.925 63.200 0.019 0.000 0.918 168 S HN 0.729 nan 8.310 nan 0.000 0.505 169 H N 0.269 119.305 119.070 -0.057 0.000 3.136 169 H HA 0.219 4.775 4.556 -0.000 0.000 0.313 169 H C -1.099 174.171 175.328 -0.097 0.000 1.103 169 H CA -0.368 55.639 56.048 -0.069 0.000 1.437 169 H CB 0.403 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 5.983 120.261 114.554 -0.460 0.000 2.832 170 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 170 T C 0.389 174.699 174.700 -0.650 0.000 0.968 170 T CA -0.348 61.485 62.100 -0.445 0.000 1.107 170 T CB -0.226 68.464 68.868 -0.297 0.000 0.916 170 T HN 0.447 nan 8.240 nan 0.000 0.517 171 I N 0.521 120.792 120.570 -0.499 0.000 2.465 171 I HA 0.709 4.879 4.170 -0.000 0.000 0.291 171 I C 0.320 176.233 176.117 -0.340 0.000 1.014 171 I CA -0.901 60.155 61.300 -0.408 0.000 1.093 171 I CB 2.034 39.835 38.000 -0.330 0.000 1.267 171 I HN 0.543 nan 8.210 nan 0.000 0.431 172 S N 2.688 118.313 115.700 -0.125 0.000 2.666 172 S HA 0.382 4.852 4.470 -0.000 0.000 0.279 172 S C -0.282 174.461 174.600 0.238 0.000 1.149 172 S CA -0.783 57.429 58.200 0.021 0.000 1.020 172 S CB 0.577 63.783 63.200 0.009 0.000 1.127 172 S HN 0.650 nan 8.310 nan 0.000 0.537 173 D N 1.056 121.600 120.400 0.238 0.000 2.488 173 D HA 0.163 4.803 4.640 -0.000 0.000 0.238 173 D C 0.207 176.580 176.300 0.122 0.000 1.138 173 D CA 0.796 54.906 54.000 0.184 0.000 0.873 173 D CB -0.144 40.707 40.800 0.085 0.000 1.183 173 D HN 0.556 nan 8.370 nan 0.000 0.458 174 R N 0.250 120.798 120.500 0.079 0.000 3.332 174 R HA -0.235 4.105 4.340 -0.000 0.000 0.263 174 R C -0.210 176.145 176.300 0.091 0.000 1.053 174 R CA 0.275 56.417 56.100 0.069 0.000 0.705 174 R CB -1.244 29.084 30.300 0.048 0.000 1.166 174 R HN 0.305 nan 8.270 nan 0.000 0.427 175 R N 0.243 120.821 120.500 0.129 0.000 2.615 175 R HA 0.316 4.656 4.340 -0.000 0.000 0.270 175 R C 1.016 177.376 176.300 0.101 0.000 1.081 175 R CA 0.850 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 4.366 3.960 -0.000 0.000 0.257 176 G HA3 0.406 4.366 3.960 -0.000 0.000 0.257 176 G C -0.858 174.090 174.900 0.081 0.000 1.227 176 G CA -0.324 44.807 45.100 0.053 0.000 0.835 176 G HN 0.489 nan 8.290 nan 0.000 0.556 177 V N 0.327 120.279 119.914 0.063 0.000 2.864 177 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 177 V C -0.482 175.647 176.094 0.059 0.000 1.073 177 V CA -1.303 61.056 62.300 0.099 0.000 0.956 177 V CB 2.016 33.913 31.823 0.124 0.000 1.023 177 V HN 0.775 nan 8.190 nan 0.000 0.435 178 N N 2.732 121.489 118.700 0.097 0.000 2.469 178 N HA 0.665 5.405 4.740 -0.000 0.000 0.286 178 N C -1.875 173.621 175.510 -0.022 0.000 1.275 178 N CA -0.567 52.507 53.050 0.039 0.000 0.790 178 N CB 2.114 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 2.078 123.271 121.223 -0.050 0.000 2.480 179 L HA 0.329 4.669 4.340 -0.000 0.000 0.253 179 L C -1.826 174.979 176.870 -0.108 0.000 1.324 179 L CA -1.532 53.265 54.840 -0.072 0.000 0.916 179 L CB 1.012 43.085 42.059 0.023 0.000 1.160 179 L HN 0.377 nan 8.230 nan 0.000 0.503 180 P HA -0.017 nan 4.420 nan 0.000 0.223 180 P C 1.089 178.310 177.300 -0.132 0.000 1.151 180 P CA 0.792 63.794 63.100 -0.164 0.000 0.787 180 P CB 0.508 32.055 31.700 -0.255 0.000 0.788 181 G N -1.585 107.141 108.800 -0.124 0.000 3.707 181 G HA2 0.257 4.217 3.960 -0.000 0.000 0.286 181 G HA3 0.257 4.217 3.960 -0.000 0.000 0.286 181 G C -0.454 174.366 174.900 -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 0.629 119.869 119.300 -0.099 0.000 2.547 182 C HA 0.410 4.870 4.460 -0.000 0.000 0.313 182 C C -0.941 174.043 174.990 -0.010 0.000 1.191 182 C CA -1.256 57.741 59.018 -0.034 0.000 1.474 182 C CB 1.883 29.631 27.740 0.014 0.000 2.081 182 C HN 0.373 nan 8.230 nan 0.000 0.476 183 D N 2.752 123.157 120.400 0.008 0.000 2.422 183 D HA 0.206 4.846 4.640 -0.000 0.000 0.227 183 D C 0.025 176.362 176.300 0.063 0.000 1.190 183 D CA 0.244 54.257 54.000 0.021 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 2.970 122.913 119.914 0.048 0.000 2.555 184 V HA 0.031 4.151 4.120 -0.000 0.000 0.286 184 V C 0.850 176.973 176.094 0.048 0.000 1.044 184 V CA -0.138 62.202 62.300 0.068 0.000 1.026 184 V CB 1.284 33.134 31.823 0.046 0.000 0.981 184 V HN 0.477 nan 8.190 nan 0.000 0.480 185 D N 3.439 123.936 120.400 0.161 0.000 2.696 185 D HA 0.174 4.814 4.640 -0.000 0.000 0.269 185 D C 0.155 176.544 176.300 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 40.685 40.800 0.140 0.000 1.086 185 D HN 0.361 nan 8.370 nan 0.000 0.481 186 L N 0.469 121.745 121.223 0.089 0.000 2.529 186 L HA 0.167 4.507 4.340 -0.000 0.000 0.287 186 L C -1.605 175.313 176.870 0.080 0.000 1.241 186 L CA -1.225 53.668 54.840 0.089 0.000 0.857 186 L CB -0.259 41.823 42.059 0.038 0.000 1.113 186 L HN -0.022 nan 8.230 nan 0.000 0.504 187 P HA 0.006 nan 4.420 nan 0.000 0.270 187 P C 0.024 177.361 177.300 0.061 0.000 1.223 187 P CA -0.177 62.960 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 1.397 124.244 122.820 0.044 0.000 1.930 188 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 188 A C 0.809 178.430 177.584 0.061 0.000 1.175 188 A CA 1.430 53.493 52.037 0.043 0.000 0.627 188 A CB -0.495 18.520 19.000 0.024 0.000 0.815 188 A HN 0.412 nan 8.150 nan 0.000 0.443 189 V N 1.110 121.056 119.914 0.053 0.000 2.483 189 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 189 V C 0.390 176.516 176.094 0.053 0.000 1.027 189 V CA -0.306 62.024 62.300 0.051 0.000 0.855 189 V CB 1.454 33.301 31.823 0.039 0.000 0.995 189 V HN 0.570 nan 8.190 nan 0.000 0.424 190 S N 4.636 120.369 115.700 0.056 0.000 2.617 190 S HA 0.475 4.945 4.470 -0.000 0.000 0.259 190 S C 1.482 176.113 174.600 0.051 0.000 1.301 190 S CA 0.250 58.482 58.200 0.053 0.000 0.984 190 S CB 1.401 64.630 63.200 0.049 0.000 0.954 190 S HN 1.075 nan 8.310 nan 0.000 0.572 191 A N 0.839 123.688 122.820 0.049 0.000 1.930 191 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 191 A C 2.188 179.805 177.584 0.053 0.000 1.175 191 A CA 1.614 53.680 52.037 0.047 0.000 0.627 191 A CB -0.899 18.126 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 4.117 4.320 -0.000 0.000 0.207 192 K C 1.240 177.903 176.600 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 32.277 32.500 0.060 0.000 0.714 192 K HN 0.354 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 4.471 4.640 -0.000 0.000 0.196 193 D C 2.020 178.357 176.300 0.062 0.000 0.992 193 D CA 1.072 55.112 54.000 0.067 0.000 0.833 193 D CB -0.135 40.694 40.800 0.047 0.000 0.954 193 D HN 0.208 nan 8.370 nan 0.000 0.455 194 R N 0.157 120.695 120.500 0.063 0.000 2.091 194 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 194 R C 2.193 178.546 176.300 0.088 0.000 1.136 194 R CA 0.765 56.901 56.100 0.060 0.000 0.959 194 R CB -0.151 30.181 30.300 0.054 0.000 0.856 194 R HN 0.056 nan 8.270 nan 0.000 0.437 195 V N 0.789 120.775 119.914 0.121 0.000 2.871 195 V HA -0.153 3.966 4.120 -0.000 0.000 0.256 195 V C 1.187 177.446 176.094 0.276 0.000 1.082 195 V CA 1.537 63.951 62.300 0.190 0.000 1.105 195 V CB -0.230 31.691 31.823 0.163 0.000 0.713 195 V HN 0.286 nan 8.190 nan 0.000 0.473 196 D N 0.100 120.620 120.400 0.201 0.000 2.137 196 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 196 D C 2.145 178.422 176.300 -0.039 0.000 0.970 196 D CA 0.952 55.025 54.000 0.122 0.000 0.837 196 D CB -0.100 40.734 40.800 0.057 0.000 0.981 196 D HN 0.301 nan 8.370 nan 0.000 0.475 197 L N 0.397 121.608 121.223 -0.019 0.000 2.046 197 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 197 L C 2.455 179.321 176.870 -0.007 0.000 1.077 197 L CA 0.939 55.754 54.840 -0.042 0.000 0.747 197 L CB -0.266 41.780 42.059 -0.022 0.000 0.896 197 L HN 0.002 nan 8.230 nan 0.000 0.432 198 Q N 0.036 119.865 119.800 0.048 0.000 2.084 198 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 198 Q C 2.005 178.041 176.000 0.060 0.000 0.978 198 Q CA 1.825 57.661 55.803 0.056 0.000 0.844 198 Q CB -0.462 28.328 28.738 0.087 0.000 0.898 198 Q HN 0.448 nan 8.270 nan 0.000 0.426 199 F N -0.370 119.542 119.950 -0.063 0.000 2.134 199 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 199 F C 1.823 177.543 175.800 -0.134 0.000 1.097 199 F CA 1.861 59.790 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 -0.016 108.738 108.800 -0.076 0.000 2.418 200 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 200 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 200 G C 1.701 176.490 174.900 -0.185 0.000 1.158 200 G CA 1.159 46.156 45.100 -0.172 0.000 0.771 200 G HN 0.343 nan 8.290 nan 0.000 0.545 201 V N 0.703 120.538 119.914 -0.131 0.000 2.343 201 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 201 V C 2.650 178.664 176.094 -0.134 0.000 1.051 201 V CA 2.246 64.482 62.300 -0.107 0.000 1.036 201 V CB -0.568 31.217 31.823 -0.064 0.000 0.654 201 V HN 0.451 nan 8.190 nan 0.000 0.451 202 E N -0.270 119.829 120.200 -0.168 0.000 2.077 202 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 202 E C 2.041 178.496 176.600 -0.241 0.000 0.989 202 E CA 1.062 57.353 56.400 -0.182 0.000 0.800 202 E CB -0.086 29.504 29.700 -0.183 0.000 0.746 202 E HN 0.489 nan 8.360 nan 0.000 0.452 203 Q N -0.652 118.923 119.800 -0.375 0.000 2.320 203 Q HA 0.110 4.450 4.340 -0.000 0.000 0.201 203 Q C 0.601 176.476 176.000 -0.209 0.000 0.910 203 Q CA 0.578 56.178 55.803 -0.338 0.000 0.946 203 Q CB 0.869 29.293 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 3.688 3.960 -0.000 0.000 0.287 204 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.287 204 G C 0.386 175.219 174.900 -0.110 0.000 1.055 204 G CA 0.400 45.427 45.100 -0.121 0.000 0.922 204 G HN 0.375 nan 8.290 nan 0.000 0.503 205 V N -2.699 117.140 119.914 -0.125 0.000 2.843 205 V HA 0.334 4.454 4.120 -0.000 0.000 0.305 205 V C 1.351 177.387 176.094 -0.096 0.000 1.065 205 V CA 0.536 62.769 62.300 -0.111 0.000 1.116 205 V CB 1.011 32.756 31.823 -0.130 0.000 0.968 205 V HN 0.246 nan 8.190 nan 0.000 0.487 206 D N 3.557 123.904 120.400 -0.088 0.000 2.117 206 D HA 0.013 4.653 4.640 -0.000 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 40.881 40.800 -0.054 0.000 0.967 206 D HN 0.834 nan 8.370 nan 0.000 0.464 207 M N -0.812 118.719 119.600 -0.114 0.000 2.622 207 M HA 0.460 4.940 4.480 -0.000 0.000 0.276 207 M C -1.668 174.519 176.300 -0.188 0.000 1.265 207 M CA -0.914 54.322 55.300 -0.105 0.000 0.850 207 M CB 2.997 35.569 32.600 -0.048 0.000 1.720 207 M HN -0.375 nan 8.290 nan 0.000 0.465 208 I N 2.414 122.926 120.570 -0.097 0.000 2.378 208 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 208 I C -1.327 174.855 176.117 0.108 0.000 0.992 208 I CA -0.374 60.872 61.300 -0.091 0.000 1.154 208 I CB 1.456 39.430 38.000 -0.042 0.000 1.315 208 I HN 0.597 nan 8.210 nan 0.000 0.448 209 F N 4.561 124.500 119.950 -0.017 0.000 2.368 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.362 209 F C 0.870 176.673 175.800 0.005 0.000 1.137 209 F CA -1.445 56.557 58.000 0.004 0.000 1.161 209 F CB 0.718 39.730 39.000 0.019 0.000 1.265 209 F HN 0.456 nan 8.300 nan 0.000 0.530 210 A N 3.147 126.080 122.820 0.188 0.000 2.310 210 A HA 0.499 4.819 4.320 -0.000 0.000 0.300 210 A C 0.511 178.164 177.584 0.115 0.000 1.269 210 A CA -0.350 51.755 52.037 0.113 0.000 0.909 210 A CB -0.104 18.942 19.000 0.077 0.000 1.144 210 A HN 0.597 nan 8.150 nan 0.000 0.540 211 S N 1.459 117.235 115.700 0.127 0.000 2.579 211 S HA 0.321 4.791 4.470 -0.000 0.000 0.275 211 S C 0.247 174.984 174.600 0.228 0.000 1.345 211 S CA 0.030 58.323 58.200 0.155 0.000 1.031 211 S CB -0.151 63.129 63.200 0.133 0.000 0.892 211 S HN 1.203 nan 8.310 nan 0.000 0.529 212 F N 0.941 120.900 119.950 0.015 0.000 2.943 212 F HA -0.165 4.362 4.527 -0.000 0.000 0.258 212 F C -0.411 175.392 175.800 0.005 0.000 0.995 212 F CA -0.283 57.720 58.000 0.006 0.000 0.896 212 F CB -1.159 37.840 39.000 -0.003 0.000 0.821 212 F HN 0.424 nan 8.300 nan 0.000 0.828 213 I N 4.000 124.557 120.570 -0.021 0.000 2.347 213 I HA 0.041 4.211 4.170 -0.000 0.000 0.294 213 I C 1.552 177.578 176.117 -0.152 0.000 1.090 213 I CA -0.097 61.161 61.300 -0.069 0.000 1.314 213 I CB 0.777 38.765 38.000 -0.020 0.000 1.423 213 I HN 0.251 nan 8.210 nan 0.000 0.503 214 R N 4.263 124.629 120.500 -0.223 0.000 2.115 214 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 214 R C 0.688 176.925 176.300 -0.106 0.000 1.100 214 R CA 0.470 56.450 56.100 -0.199 0.000 0.980 214 R CB -0.479 29.678 30.300 -0.238 0.000 0.875 214 R HN 0.657 nan 8.270 nan 0.000 0.445 215 S N -2.237 113.417 115.700 -0.076 0.000 2.596 215 S HA 0.618 5.088 4.470 -0.000 0.000 0.270 215 S C 0.429 175.010 174.600 -0.032 0.000 1.155 215 S CA -0.346 57.826 58.200 -0.048 0.000 0.827 215 S CB 1.766 64.942 63.200 -0.039 0.000 1.130 215 S HN 0.061 nan 8.310 nan 0.000 0.467 216 A N 0.806 123.612 122.820 -0.024 0.000 1.933 216 A HA -0.030 4.290 4.320 -0.000 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 -1.141 17.850 19.000 -0.015 0.000 0.814 216 A HN 1.008 nan 8.150 nan 0.000 0.444 217 E N -0.427 119.765 120.200 -0.012 0.000 2.110 217 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 217 E C 2.133 178.730 176.600 -0.005 0.000 0.988 217 E CA 1.351 57.747 56.400 -0.007 0.000 0.804 217 E CB -0.224 29.473 29.700 -0.007 0.000 0.745 217 E HN 0.754 nan 8.360 nan 0.000 0.458 218 Q N 0.170 119.964 119.800 -0.010 0.000 2.124 218 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 218 Q C 2.228 178.229 176.000 0.000 0.000 0.977 218 Q CA 1.725 57.525 55.803 -0.006 0.000 0.850 218 Q CB 0.175 28.902 28.738 -0.018 0.000 0.901 218 Q HN 0.287 nan 8.270 nan 0.000 0.429 219 V N 0.143 120.055 119.914 -0.002 0.000 2.343 219 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 219 V C 2.315 178.412 176.094 0.005 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 0.002 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 3.716 3.960 -0.000 0.000 0.218 220 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 220 G C 1.226 176.129 174.900 0.005 0.000 1.146 220 G CA 1.007 46.109 45.100 0.003 0.000 0.769 220 G HN 0.502 nan 8.290 nan 0.000 0.547 221 D N 0.254 120.658 120.400 0.007 0.000 2.144 221 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 221 D C 2.754 179.061 176.300 0.011 0.000 0.984 221 D CA 0.639 54.645 54.000 0.010 0.000 0.834 221 D CB -0.330 40.477 40.800 0.012 0.000 0.955 221 D HN 0.223 nan 8.370 nan 0.000 0.465 222 V N 0.904 120.824 119.914 0.011 0.000 2.343 222 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 222 V C 2.479 178.576 176.094 0.005 0.000 1.051 222 V CA 1.360 63.666 62.300 0.009 0.000 1.036 222 V CB -0.387 31.443 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 4.181 4.340 -0.000 0.000 0.235 223 R C 2.232 178.534 176.300 0.003 0.000 1.127 223 R CA 1.930 58.032 56.100 0.003 0.000 0.968 223 R CB -0.504 29.798 30.300 0.004 0.000 0.861 223 R HN 0.533 nan 8.270 nan 0.000 0.440 224 K N -0.798 119.605 120.400 0.005 0.000 2.103 224 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 224 K C 1.812 178.417 176.600 0.007 0.000 1.052 224 K CA 1.118 57.409 56.287 0.006 0.000 0.945 224 K CB -0.157 32.348 32.500 0.008 0.000 0.722 224 K HN 0.212 nan 8.250 nan 0.000 0.443 225 A N 1.253 124.078 122.820 0.008 0.000 1.933 225 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 225 A C 2.038 179.625 177.584 0.005 0.000 1.175 225 A CA 1.095 53.139 52.037 0.010 0.000 0.628 225 A CB -0.532 18.476 19.000 0.013 0.000 0.814 225 A HN 0.314 nan 8.150 nan 0.000 0.444 226 L N -1.332 119.890 121.223 -0.002 0.000 2.093 226 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 226 L C 1.653 178.519 176.870 -0.007 0.000 1.085 226 L CA 0.692 55.526 54.840 -0.010 0.000 0.755 226 L CB -1.015 41.035 42.059 -0.015 0.000 0.904 226 L HN 0.690 nan 8.230 nan 0.000 0.435 227 G N -0.821 107.978 108.800 -0.002 0.000 2.681 227 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G C -2.133 172.765 174.900 -0.002 0.000 1.353 227 G CA -0.244 44.855 45.100 -0.000 0.000 0.872 227 G HN 0.050 nan 8.290 nan 0.000 0.557 228 P HA 0.024 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 1.667 64.766 63.100 -0.001 0.000 0.848 228 P CB 0.026 31.726 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 4.324 4.320 -0.000 0.000 0.204 229 K C 1.895 178.484 176.600 -0.019 0.000 1.048 229 K CA 1.493 57.772 56.287 -0.013 0.000 0.940 229 K CB -0.818 31.673 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 -0.017 0.000 3.337 230 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.246 230 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.246 230 G C 1.282 176.172 174.900 -0.016 0.000 1.131 230 G CA -0.375 44.711 45.100 -0.023 0.000 0.773 230 G HN 0.288 nan 8.290 nan 0.000 0.544 231 R N 0.017 120.511 120.500 -0.010 0.000 2.152 231 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 231 R C 0.486 176.785 176.300 -0.003 0.000 1.117 231 R CA 1.380 57.477 56.100 -0.004 0.000 0.981 231 R CB -0.129 30.171 30.300 -0.001 0.000 0.870 231 R HN 0.026 nan 8.270 nan 0.000 0.451 232 D N 0.877 121.273 120.400 -0.006 0.000 2.340 232 D HA 0.204 4.844 4.640 -0.000 0.000 0.217 232 D C 0.225 176.521 176.300 -0.008 0.000 1.081 232 D CA 0.107 54.105 54.000 -0.003 0.000 0.842 232 D CB 0.226 41.025 40.800 -0.001 0.000 0.934 232 D HN 0.255 nan 8.370 nan 0.000 0.511 233 I N 1.119 121.680 120.570 -0.015 0.000 2.441 233 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 233 I C 0.752 176.864 176.117 -0.008 0.000 1.049 233 I CA -0.339 60.948 61.300 -0.021 0.000 1.381 233 I CB 0.947 38.924 38.000 -0.039 0.000 1.409 233 I HN -0.360 nan 8.210 nan 0.000 0.523 234 M N 6.658 126.258 119.600 0.000 0.000 2.200 234 M HA 0.324 4.804 4.480 -0.000 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 0.022 0.000 1.124 234 M CB 0.586 33.209 32.600 0.038 0.000 1.625 234 M HN 0.391 nan 8.290 nan 0.000 0.463 235 I N 4.891 125.484 120.570 0.039 0.000 2.306 235 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 235 I C -0.499 175.665 176.117 0.077 0.000 1.036 235 I CA -0.594 60.738 61.300 0.053 0.000 1.221 235 I CB 0.614 38.633 38.000 0.033 0.000 1.385 235 I HN 0.463 nan 8.210 nan 0.000 0.472 236 I N 5.763 126.416 120.570 0.137 0.000 2.315 236 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 236 I C 0.023 176.193 176.117 0.088 0.000 1.006 236 I CA -0.444 60.932 61.300 0.128 0.000 1.265 236 I CB 1.041 39.175 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 0.305 4.765 4.460 -0.000 0.000 0.332 237 C C 0.803 175.790 174.990 -0.005 0.000 1.248 237 C CA -1.060 57.971 59.018 0.022 0.000 1.727 237 C CB -0.475 27.271 27.740 0.011 0.000 2.348 237 C HN 0.615 nan 8.230 nan 0.000 0.519 238 K N 3.542 123.947 120.400 0.009 0.000 2.339 238 K HA 0.392 4.712 4.320 -0.000 0.000 0.286 238 K C -0.295 176.316 176.600 0.019 0.000 1.050 238 K CA 0.001 56.288 56.287 0.000 0.000 0.956 238 K CB 0.507 33.024 32.500 0.030 0.000 0.990 238 K HN 0.516 nan 8.250 nan 0.000 0.475 239 I N 4.040 124.613 120.570 0.005 0.000 2.306 239 I HA 0.082 4.252 4.170 -0.000 0.000 0.288 239 I C 0.680 176.819 176.117 0.037 0.000 1.036 239 I CA 0.129 61.434 61.300 0.008 0.000 1.221 239 I CB 0.750 38.743 38.000 -0.013 0.000 1.385 239 I HN 0.793 nan 8.210 nan 0.000 0.472 240 E N 4.021 124.270 120.200 0.081 0.000 2.606 240 E HA 0.072 4.422 4.350 -0.000 0.000 0.224 240 E C -0.144 176.553 176.600 0.162 0.000 0.930 240 E CA -0.118 56.363 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 0.718 nan 8.360 nan 0.000 0.522 241 N N -0.803 117.966 118.700 0.115 0.000 3.038 241 N HA 0.073 4.813 4.740 -0.000 0.000 0.307 241 N C 0.449 176.000 175.510 0.068 0.000 1.441 241 N CA -0.643 52.477 53.050 0.117 0.000 0.772 241 N CB 0.432 39.001 38.487 0.136 0.000 1.651 241 N HN -0.178 nan 8.380 nan 0.000 0.593 242 H N -0.805 118.263 119.070 -0.002 0.000 2.321 242 H HA 0.025 4.581 4.556 -0.000 0.000 0.300 242 H C 1.486 176.793 175.328 -0.036 0.000 1.087 242 H CA 2.139 58.180 56.048 -0.013 0.000 1.319 242 H CB 0.272 30.030 29.762 -0.006 0.000 1.379 242 H HN 0.609 nan 8.280 nan 0.000 0.501 243 Q N -0.835 119.011 119.800 0.076 0.000 2.084 243 Q HA -0.111 4.229 4.340 -0.000 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 -0.118 108.628 108.800 -0.090 0.000 2.418 244 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 244 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 244 G C 1.456 176.310 174.900 -0.076 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 0.726 120.584 119.914 -0.093 0.000 2.343 245 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 245 V C 2.770 178.793 176.094 -0.117 0.000 1.051 245 V CA 2.243 64.478 62.300 -0.108 0.000 1.036 245 V CB -0.476 31.259 31.823 -0.146 0.000 0.654 245 V HN 0.533 nan 8.190 nan 0.000 0.451 246 Q N 0.304 120.017 119.800 -0.146 0.000 2.124 246 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 246 Q C 1.254 177.216 176.000 -0.065 0.000 0.977 246 Q CA 1.571 57.307 55.803 -0.112 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 0.766 119.432 118.700 -0.058 0.000 2.295 247 N HA 0.019 4.759 4.740 -0.000 0.000 0.221 247 N C 1.032 176.518 175.510 -0.040 0.000 1.129 247 N CA 0.008 53.032 53.050 -0.043 0.000 0.836 247 N CB 0.348 38.810 38.487 -0.041 0.000 1.040 247 N HN 0.273 nan 8.380 nan 0.000 0.494 248 I N 1.258 121.802 120.570 -0.043 0.000 2.226 248 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 248 I C 1.401 177.501 176.117 -0.028 0.000 1.100 248 I CA 1.611 62.889 61.300 -0.037 0.000 1.374 248 I CB 0.049 38.026 38.000 -0.038 0.000 1.057 248 I HN 0.011 nan 8.210 nan 0.000 0.413 249 D N -0.083 120.301 120.400 -0.027 0.000 2.097 249 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 249 D C 2.450 178.737 176.300 -0.021 0.000 0.989 249 D CA 1.840 55.827 54.000 -0.023 0.000 0.827 249 D CB -0.440 40.346 40.800 -0.023 0.000 0.966 249 D HN 0.514 nan 8.370 nan 0.000 0.456 250 S N 0.567 116.254 115.700 -0.022 0.000 2.382 250 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 250 S C 2.296 176.885 174.600 -0.019 0.000 1.027 250 S CA 0.529 58.717 58.200 -0.020 0.000 0.991 250 S CB -0.661 62.526 63.200 -0.020 0.000 0.823 250 S HN 0.232 nan 8.310 nan 0.000 0.469 251 I N 1.319 121.876 120.570 -0.021 0.000 2.226 251 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 251 I C 2.455 178.564 176.117 -0.014 0.000 1.100 251 I CA 1.261 62.550 61.300 -0.019 0.000 1.374 251 I CB -0.368 37.617 38.000 -0.025 0.000 1.057 251 I HN 0.278 nan 8.210 nan 0.000 0.413 252 I N 0.238 120.799 120.570 -0.015 0.000 2.226 252 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 252 I C 2.640 178.752 176.117 -0.008 0.000 1.100 252 I CA 1.116 62.409 61.300 -0.011 0.000 1.374 252 I CB -0.317 37.675 38.000 -0.013 0.000 1.057 252 I HN 0.244 nan 8.210 nan 0.000 0.413 253 E N 0.744 120.937 120.200 -0.011 0.000 2.038 253 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 253 E C 2.081 178.678 176.600 -0.006 0.000 1.000 253 E CA 1.379 57.773 56.400 -0.010 0.000 0.803 253 E CB -0.140 29.551 29.700 -0.014 0.000 0.750 253 E HN 0.363 nan 8.360 nan 0.000 0.448 254 E N 0.849 121.045 120.200 -0.006 0.000 2.106 254 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 254 E C 1.333 177.934 176.600 0.002 0.000 0.984 254 E CA 0.426 56.824 56.400 -0.003 0.000 0.806 254 E CB -0.446 29.252 29.700 -0.004 0.000 0.750 254 E HN 0.200 nan 8.360 nan 0.000 0.458 255 S N 0.477 116.179 115.700 0.003 0.000 2.634 255 S HA 0.097 4.567 4.470 -0.000 0.000 0.261 255 S C 0.612 175.220 174.600 0.013 0.000 1.271 255 S CA -0.474 57.732 58.200 0.010 0.000 0.985 255 S CB 1.071 64.277 63.200 0.009 0.000 0.968 255 S HN -0.090 nan 8.310 nan 0.000 0.568 256 D N 0.222 120.635 120.400 0.022 0.000 2.369 256 D HA 0.329 4.969 4.640 -0.000 0.000 0.211 256 D C 0.759 177.075 176.300 0.027 0.000 1.077 256 D CA 0.680 54.695 54.000 0.025 0.000 0.842 256 D CB 0.592 41.411 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 4.306 3.960 -0.000 0.000 0.296 257 G HA3 0.346 4.306 3.960 -0.000 0.000 0.296 257 G C -1.948 172.953 174.900 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 -0.000 0.000 0.298 258 I C -0.267 175.804 176.117 -0.077 0.000 1.089 258 I CA -0.753 60.525 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 5.211 124.750 119.600 -0.101 0.000 2.294 259 M HA 0.421 4.901 4.480 -0.000 0.000 0.335 259 M C -1.188 175.067 176.300 -0.075 0.000 1.079 259 M CA -0.790 54.429 55.300 -0.136 0.000 0.982 259 M CB 1.762 34.217 32.600 -0.243 0.000 1.651 259 M HN 0.244 nan 8.290 nan 0.000 0.437 260 V N 4.892 124.771 119.914 -0.059 0.000 2.313 260 V HA 0.252 4.372 4.120 -0.000 0.000 0.252 260 V C 0.530 176.610 176.094 -0.023 0.000 1.112 260 V CA -0.464 61.818 62.300 -0.030 0.000 0.984 260 V CB 0.008 31.820 31.823 -0.019 0.000 1.157 260 V HN 0.870 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 0.332 4.652 4.320 -0.000 0.000 0.298 261 A C 1.475 179.073 177.584 0.023 0.000 1.588 261 A CA -0.330 51.709 52.037 0.004 0.000 1.288 261 A CB -0.306 18.708 19.000 0.023 0.000 1.130 261 A HN 0.837 nan 8.150 nan 0.000 0.557 262 R N 1.552 122.062 120.500 0.017 0.000 2.092 262 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 262 R C 2.297 178.618 176.300 0.034 0.000 1.119 262 R CA 1.438 57.553 56.100 0.024 0.000 0.970 262 R CB -0.094 30.216 30.300 0.017 0.000 0.864 262 R HN 0.690 nan 8.270 nan 0.000 0.440 263 G N 1.347 110.169 108.800 0.036 0.000 2.433 263 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 263 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 263 G C 0.974 175.904 174.900 0.051 0.000 1.186 263 G CA 0.949 46.074 45.100 0.042 0.000 0.779 263 G HN 0.218 nan 8.290 nan 0.000 0.543 264 D N 0.241 120.674 120.400 0.056 0.000 2.117 264 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 264 D C 2.477 178.830 176.300 0.087 0.000 0.987 264 D CA 0.351 54.392 54.000 0.068 0.000 0.829 264 D CB -0.089 40.752 40.800 0.069 0.000 0.961 264 D HN 0.202 nan 8.370 nan 0.000 0.460 265 L N 0.950 122.220 121.223 0.079 0.000 2.083 265 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 265 L C 2.416 179.330 176.870 0.074 0.000 1.083 265 L CA 1.398 56.284 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 -0.869 107.969 108.800 0.063 0.000 2.422 266 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 266 G HA3 -0.204 3.756 3.960 -0.000 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 0.618 120.590 119.914 0.097 0.000 2.323 267 V HA -0.083 4.037 4.120 -0.000 0.000 0.244 267 V C 2.638 178.837 176.094 0.175 0.000 1.041 267 V CA 1.711 64.101 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 -0.078 120.202 120.200 0.133 0.000 2.110 268 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 268 E C 0.442 177.113 176.600 0.118 0.000 0.988 268 E CA 0.952 57.423 56.400 0.118 0.000 0.804 268 E CB 0.095 29.879 29.700 0.140 0.000 0.745 268 E HN 0.471 nan 8.360 nan 0.000 0.458 269 I N 0.483 121.122 120.570 0.115 0.000 2.689 269 I HA 0.205 4.375 4.170 -0.000 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 2.256 40.311 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 -0.099 177.230 177.300 0.048 0.000 1.216 270 P CA -0.174 62.964 63.100 0.062 0.000 0.776 270 P CB 0.885 32.616 31.700 0.053 0.000 0.881 271 A N 3.945 126.788 122.820 0.038 0.000 1.902 271 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 271 A C 1.838 179.436 177.584 0.023 0.000 1.181 271 A CA 1.466 53.521 52.037 0.030 0.000 0.623 271 A CB -1.067 17.946 19.000 0.022 0.000 0.818 271 A HN 0.667 nan 8.150 nan 0.000 0.443 272 E N 0.465 120.676 120.200 0.020 0.000 2.333 272 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 272 E C 1.533 178.143 176.600 0.017 0.000 1.007 272 E CA 1.515 57.924 56.400 0.016 0.000 0.845 272 E CB -0.268 29.440 29.700 0.013 0.000 0.766 272 E HN 0.612 nan 8.360 nan 0.000 0.507 273 K N 0.454 120.867 120.400 0.021 0.000 2.243 273 K HA 0.050 4.370 4.320 -0.000 0.000 0.201 273 K C 2.096 178.704 176.600 0.014 0.000 1.051 273 K CA 0.591 56.889 56.287 0.019 0.000 0.970 273 K CB 0.230 32.745 32.500 0.025 0.000 0.755 273 K HN -0.057 nan 8.250 nan 0.000 0.465 274 V N 0.802 120.727 119.914 0.019 0.000 2.453 274 V HA -0.259 3.861 4.120 -0.000 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 -0.431 31.405 31.823 0.021 0.000 0.664 274 V HN 0.093 nan 8.190 nan 0.000 0.461 275 V N -0.300 119.622 119.914 0.013 0.000 2.295 275 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 275 V C 2.402 178.501 176.094 0.008 0.000 1.049 275 V CA 1.973 64.281 62.300 0.012 0.000 1.024 275 V CB -0.498 31.333 31.823 0.013 0.000 0.648 275 V HN 0.435 nan 8.190 nan 0.000 0.447 276 V N 0.444 120.360 119.914 0.004 0.000 2.343 276 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 276 V C 2.723 178.814 176.094 -0.005 0.000 1.051 276 V CA 1.955 64.254 62.300 -0.001 0.000 1.036 276 V CB -1.235 30.586 31.823 -0.003 0.000 0.654 276 V HN 0.551 nan 8.190 nan 0.000 0.451 277 A N -0.791 122.025 122.820 -0.006 0.000 1.933 277 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 277 A C 2.264 179.845 177.584 -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 -0.276 119.525 119.800 0.001 0.000 2.050 278 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 278 Q C 2.026 178.032 176.000 0.009 0.000 0.980 278 Q CA 1.926 57.733 55.803 0.006 0.000 0.840 278 Q CB -0.120 28.625 28.738 0.011 0.000 0.898 278 Q HN 0.684 nan 8.270 nan 0.000 0.424 279 K N -0.015 120.391 120.400 0.009 0.000 2.026 279 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 279 K C 2.059 178.660 176.600 0.001 0.000 1.048 279 K CA 1.469 57.761 56.287 0.008 0.000 0.929 279 K CB -0.122 32.379 32.500 0.002 0.000 0.713 279 K HN 0.245 nan 8.250 nan 0.000 0.439 280 I N 0.654 121.221 120.570 -0.005 0.000 2.179 280 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 280 I C 1.945 178.058 176.117 -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 0.150 121.368 121.223 -0.007 0.000 2.093 281 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 281 L C 2.315 179.186 176.870 0.002 0.000 1.085 281 L CA 1.762 56.597 54.840 -0.007 0.000 0.755 281 L CB -0.580 41.471 42.059 -0.013 0.000 0.904 281 L HN 0.174 nan 8.230 nan 0.000 0.435 282 I N -1.597 118.980 120.570 0.012 0.000 2.252 282 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 282 I C 2.413 178.556 176.117 0.043 0.000 1.102 282 I CA 1.094 62.411 61.300 0.029 0.000 1.385 282 I CB -0.288 37.738 38.000 0.044 0.000 1.064 282 I HN 0.177 nan 8.210 nan 0.000 0.414 283 S N 0.524 116.244 115.700 0.034 0.000 2.368 283 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 283 S C 1.963 176.577 174.600 0.023 0.000 1.030 283 S CA 1.274 59.495 58.200 0.035 0.000 0.999 283 S CB -0.137 63.068 63.200 0.007 0.000 0.844 283 S HN 0.346 nan 8.310 nan 0.000 0.459 284 K N 0.216 120.621 120.400 0.008 0.000 2.097 284 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 284 K C 2.304 178.905 176.600 0.001 0.000 1.049 284 K CA 1.231 57.518 56.287 0.000 0.000 0.933 284 K CB -0.313 32.182 32.500 -0.007 0.000 0.717 284 K HN 0.354 nan 8.250 nan 0.000 0.442 285 C N 0.877 120.180 119.300 0.005 0.000 2.446 285 C HA -0.069 4.391 4.460 -0.000 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 0.518 119.231 118.700 0.021 0.000 2.120 286 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 286 N C 1.574 177.076 175.510 -0.012 0.000 1.024 286 N CA 1.202 54.265 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 0.280 nan 8.380 nan 0.000 0.424 287 V N 1.272 121.187 119.914 0.001 0.000 2.358 287 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 287 V C 2.176 178.253 176.094 -0.028 0.000 1.047 287 V CA 1.784 64.074 62.300 -0.018 0.000 1.035 287 V CB -0.679 31.142 31.823 -0.003 0.000 0.658 287 V HN 0.361 nan 8.190 nan 0.000 0.452 288 A N -0.416 122.393 122.820 -0.018 0.000 2.168 288 A HA 0.279 4.599 4.320 -0.000 0.000 0.215 288 A C 1.926 179.498 177.584 -0.019 0.000 1.152 288 A CA 1.010 53.038 52.037 -0.014 0.000 0.716 288 A CB -0.770 18.224 19.000 -0.009 0.000 0.794 288 A HN 1.287 nan 8.150 nan 0.000 0.465 289 G N -0.468 108.308 108.800 -0.040 0.000 2.273 289 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 289 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 289 G C -0.045 174.846 174.900 -0.016 0.000 1.047 289 G CA 0.783 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 0.327 120.721 120.400 -0.011 0.000 2.318 290 K HA 0.525 4.845 4.320 -0.000 0.000 0.249 290 K C -2.561 174.039 176.600 -0.001 0.000 0.942 290 K CA -2.252 54.035 56.287 -0.001 0.000 0.808 290 K CB 2.750 35.251 32.500 0.002 0.000 1.189 290 K HN -0.034 nan 8.250 nan 0.000 0.428 291 P HA 0.013 nan 4.420 nan 0.000 0.268 291 P C -0.913 176.386 177.300 -0.001 0.000 1.204 291 P CA -0.259 62.846 63.100 0.007 0.000 0.768 291 P CB 0.868 32.581 31.700 0.023 0.000 0.842 292 V N 4.975 124.885 119.914 -0.006 0.000 2.709 292 V HA 0.512 4.632 4.120 -0.000 0.000 0.308 292 V C -0.719 175.359 176.094 -0.026 0.000 1.062 292 V CA -0.956 61.334 62.300 -0.017 0.000 0.901 292 V CB 1.577 33.398 31.823 -0.004 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 4.631 4.170 -0.000 0.000 0.292 293 I C -0.321 175.760 176.117 -0.061 0.000 1.001 293 I CA -0.389 60.868 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 0.623 nan 8.210 nan 0.000 0.438 294 C N 6.321 125.599 119.300 -0.037 0.000 2.285 294 C HA 0.864 5.324 4.460 -0.000 0.000 0.335 294 C C 0.397 175.370 174.990 -0.027 0.000 1.267 294 C CA -0.122 58.880 59.018 -0.026 0.000 1.762 294 C CB -0.643 27.090 27.740 -0.010 0.000 2.365 294 C HN 0.859 nan 8.230 nan 0.000 0.527 295 A N 4.817 127.621 122.820 -0.026 0.000 2.401 295 A HA 0.920 5.240 4.320 -0.000 0.000 0.310 295 A C -0.170 177.414 177.584 -0.001 0.000 1.075 295 A CA -0.141 51.885 52.037 -0.018 0.000 0.746 295 A CB 1.032 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 1.333 115.892 114.554 0.007 0.000 0.554 296 T HA -0.086 4.264 4.350 -0.000 0.000 0.772 296 T C 0.105 174.812 174.700 0.012 0.000 0.992 296 T CA 0.488 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 -0.271 4.069 4.340 -0.000 0.000 0.248 297 Q C 1.556 177.556 176.000 -0.000 0.000 0.874 297 Q CA 1.516 57.324 55.803 0.008 0.000 1.208 297 Q CB -1.077 27.671 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 -0.117 4.363 4.480 -0.000 0.000 0.262 298 M C 1.065 177.354 176.300 -0.018 0.000 1.065 298 M CA 1.521 56.816 55.300 -0.007 0.000 1.114 298 M CB 0.166 32.764 32.600 -0.005 0.000 1.361 298 M HN 0.235 nan 8.290 nan 0.000 0.408 299 L N -0.388 120.819 121.223 -0.027 0.000 2.913 299 L HA 0.158 4.498 4.340 -0.000 0.000 0.283 299 L C 1.030 177.862 176.870 -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 42.489 42.059 -0.053 0.000 1.188 299 L HN 0.085 nan 8.230 nan 0.000 0.551 300 E N 0.940 121.113 120.200 -0.045 0.000 2.118 300 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 300 E C 2.088 178.636 176.600 -0.087 0.000 0.992 300 E CA 1.999 58.369 56.400 -0.051 0.000 0.804 300 E CB 0.278 29.983 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 -0.083 4.387 4.470 -0.000 0.000 0.235 301 S C 1.821 176.396 174.600 -0.042 0.000 0.997 301 S CA 0.811 59.046 58.200 0.059 0.000 0.949 301 S CB -0.178 63.065 63.200 0.071 0.000 0.766 301 S HN 0.285 nan 8.310 nan 0.000 0.517 302 M N 1.473 120.996 119.600 -0.127 0.000 2.618 302 M HA 0.051 4.531 4.480 -0.000 0.000 0.240 302 M C 1.384 177.608 176.300 -0.126 0.000 1.123 302 M CA 0.517 55.750 55.300 -0.111 0.000 1.060 302 M CB -0.476 32.050 32.600 -0.124 0.000 1.535 302 M HN 0.381 nan 8.290 nan 0.000 0.507 303 T N -0.273 114.036 114.554 -0.408 0.000 2.833 303 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 303 T C 0.841 175.214 174.700 -0.546 0.000 1.054 303 T CA 1.409 63.137 62.100 -0.619 0.000 1.135 303 T CB -0.161 68.071 68.868 -1.060 0.000 0.869 303 T HN 0.520 nan 8.240 nan 0.000 0.466 304 Y N 0.042 120.416 120.300 0.123 0.000 2.432 304 Y HA 0.448 4.998 4.550 -0.000 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 2.611 121.480 118.700 0.280 0.000 2.292 305 N HA 0.217 4.957 4.740 -0.000 0.000 0.303 305 N C -2.261 173.039 175.510 -0.350 0.000 1.140 305 N CA -2.043 51.055 53.050 0.079 0.000 0.788 305 N CB 2.101 40.606 38.487 0.031 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 1.257 63.860 63.100 -0.827 0.000 0.800 306 P CB 0.560 31.939 31.700 -0.535 0.000 0.787 307 R N -0.215 120.113 120.500 -0.286 0.000 2.744 307 R HA 0.485 4.825 4.340 -0.000 0.000 0.279 307 R C -2.539 173.574 176.300 -0.311 0.000 0.977 307 R CA -2.208 53.709 56.100 -0.304 0.000 0.906 307 R CB 2.058 32.269 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 -0.496 176.704 177.300 -0.166 0.000 1.258 308 P CA -0.453 62.467 63.100 -0.299 0.000 0.811 308 P CB 0.919 32.381 31.700 -0.397 0.000 1.063 309 T N -0.498 113.996 114.554 -0.100 0.000 2.813 309 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 309 T C 1.506 176.179 174.700 -0.045 0.000 1.036 309 T CA -0.531 61.536 62.100 -0.055 0.000 1.044 309 T CB 0.434 69.284 68.868 -0.029 0.000 0.993 309 T HN 0.185 nan 8.240 nan 0.000 0.535 310 R N 1.499 121.986 120.500 -0.023 0.000 2.081 310 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 310 R C 2.722 179.020 176.300 -0.004 0.000 1.131 310 R CA 1.590 57.684 56.100 -0.009 0.000 0.960 310 R CB -1.854 28.445 30.300 -0.001 0.000 0.856 310 R HN 0.867 nan 8.270 nan 0.000 0.436 311 A N 1.337 124.154 122.820 -0.005 0.000 1.933 311 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 311 A C 2.078 179.659 177.584 -0.004 0.000 1.175 311 A CA 1.487 53.524 52.037 -0.000 0.000 0.628 311 A CB -0.318 18.682 19.000 0.000 0.000 0.814 311 A HN 0.380 nan 8.150 nan 0.000 0.444 312 E N -0.542 119.648 120.200 -0.017 0.000 2.047 312 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 312 E C 1.985 178.572 176.600 -0.021 0.000 0.987 312 E CA 1.243 57.628 56.400 -0.025 0.000 0.799 312 E CB -0.234 29.437 29.700 -0.047 0.000 0.752 312 E HN 0.365 nan 8.360 nan 0.000 0.449 313 V N 0.913 120.815 119.914 -0.020 0.000 2.343 313 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 313 V C 2.458 178.554 176.094 0.005 0.000 1.051 313 V CA 1.971 64.272 62.300 0.002 0.000 1.036 313 V CB -0.531 31.305 31.823 0.022 0.000 0.654 313 V HN 0.322 nan 8.190 nan 0.000 0.451 314 S N -0.075 115.632 115.700 0.012 0.000 2.383 314 S HA -0.288 4.182 4.470 -0.000 0.000 0.229 314 S C 1.868 176.476 174.600 0.014 0.000 1.030 314 S CA 2.184 60.399 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 0.697 nan 8.310 nan 0.000 0.467 315 D N 0.383 120.785 120.400 0.005 0.000 2.097 315 D HA -0.084 4.556 4.640 -0.000 0.000 0.195 315 D C 1.901 178.189 176.300 -0.020 0.000 0.989 315 D CA 1.518 55.518 54.000 -0.000 0.000 0.827 315 D CB -0.331 40.469 40.800 -0.000 0.000 0.966 315 D HN 0.330 nan 8.370 nan 0.000 0.456 316 V N 0.738 120.635 119.914 -0.029 0.000 2.343 316 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 316 V C 2.575 178.603 176.094 -0.110 0.000 1.051 316 V CA 1.729 64.001 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 0.543 123.275 122.820 -0.147 0.000 1.877 317 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 317 A C 2.101 179.374 177.584 -0.518 0.000 1.186 317 A CA 1.964 53.792 52.037 -0.348 0.000 0.620 317 A CB -0.675 18.172 19.000 -0.254 0.000 0.822 317 A HN 0.590 nan 8.150 nan 0.000 0.443 318 N N 0.423 119.032 118.700 -0.152 0.000 2.223 318 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 318 N C 1.879 177.407 175.510 0.030 0.000 1.016 318 N CA 1.361 54.447 53.050 0.061 0.000 0.863 318 N CB -0.444 38.124 38.487 0.134 0.000 0.983 318 N HN 0.494 nan 8.380 nan 0.000 0.429 319 A N 0.924 123.728 122.820 -0.028 0.000 1.933 319 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 319 A C 2.526 180.110 177.584 -0.000 0.000 1.175 319 A CA 1.185 53.220 52.037 -0.004 0.000 0.628 319 A CB -0.669 18.322 19.000 -0.015 0.000 0.814 319 A HN 0.102 nan 8.150 nan 0.000 0.444 320 V N -0.972 118.893 119.914 -0.082 0.000 2.343 320 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 320 V C 2.311 178.454 176.094 0.083 0.000 1.051 320 V CA 1.907 64.170 62.300 -0.061 0.000 1.036 320 V CB -1.066 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 0.909 120.911 119.950 0.085 0.000 2.171 321 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 321 F C 2.233 178.078 175.800 0.075 0.000 1.090 321 F CA 1.067 59.118 58.000 0.084 0.000 1.293 321 F CB -1.397 37.631 39.000 0.046 0.000 1.013 321 F HN 0.253 nan 8.300 nan 0.000 0.486 322 N N -0.721 118.120 118.700 0.234 0.000 2.289 322 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 322 N C 1.450 177.070 175.510 0.183 0.000 1.016 322 N CA 0.810 53.946 53.050 0.144 0.000 0.872 322 N CB -0.165 38.379 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 3.787 3.960 -0.000 0.000 0.186 323 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.186 323 G C -0.004 174.991 174.900 0.158 0.000 1.000 323 G CA -0.068 45.244 45.100 0.353 0.000 0.664 323 G HN 0.475 nan 8.290 nan 0.000 0.513 324 A N 0.058 122.935 122.820 0.095 0.000 2.477 324 A HA 0.564 4.884 4.320 -0.000 0.000 0.246 324 A C 1.085 178.681 177.584 0.020 0.000 1.078 324 A CA 1.041 53.104 52.037 0.042 0.000 0.770 324 A CB 0.220 19.235 19.000 0.025 0.000 1.011 324 A HN 0.293 nan 8.150 nan 0.000 0.494 325 D N 0.348 120.753 120.400 0.008 0.000 2.117 325 D HA -0.022 4.618 4.640 -0.000 0.000 0.197 325 D C 0.131 176.437 176.300 0.010 0.000 0.987 325 D CA 1.622 55.625 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 -0.042 119.261 119.300 0.006 0.000 2.712 326 C HA 0.688 5.148 4.460 -0.000 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 1.481 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 0.688 120.605 119.914 0.006 0.000 2.919 327 V HA 0.834 4.954 4.120 -0.000 0.000 0.316 327 V C -0.574 175.528 176.094 0.014 0.000 1.077 327 V CA -0.691 61.611 62.300 0.002 0.000 0.977 327 V CB 1.774 33.596 31.823 -0.001 0.000 1.039 327 V HN 1.006 nan 8.190 nan 0.000 0.441 328 M N 2.856 122.464 119.600 0.012 0.000 2.518 328 M HA 0.743 5.223 4.480 -0.000 0.000 0.300 328 M C -2.122 174.196 176.300 0.030 0.000 1.175 328 M CA -0.627 54.689 55.300 0.027 0.000 0.890 328 M CB 2.247 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 2.445 123.695 121.223 0.046 0.000 2.362 329 L HA 0.550 4.890 4.340 -0.000 0.000 0.275 329 L C -0.197 176.703 176.870 0.049 0.000 0.998 329 L CA -0.283 54.580 54.840 0.038 0.000 0.820 329 L CB 2.183 44.264 42.059 0.037 0.000 1.270 329 L HN 0.851 nan 8.230 nan 0.000 0.415 330 S N 1.066 116.786 115.700 0.035 0.000 3.026 330 S HA 0.152 4.622 4.470 -0.000 0.000 0.169 330 S C 1.571 176.185 174.600 0.023 0.000 0.680 330 S CA 0.471 58.698 58.200 0.044 0.000 0.826 330 S CB -0.092 63.135 63.200 0.046 0.000 0.779 330 S HN 0.866 nan 8.310 nan 0.000 0.664 331 G N 1.242 110.042 108.800 -0.000 0.000 2.422 331 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 331 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 331 G C 1.037 175.905 174.900 -0.054 0.000 1.140 331 G CA 0.876 45.959 45.100 -0.028 0.000 0.775 331 G HN 0.498 nan 8.290 nan 0.000 0.545 332 E N 0.250 120.415 120.200 -0.059 0.000 2.160 332 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 332 E C 2.714 179.297 176.600 -0.028 0.000 0.991 332 E CA 1.753 58.110 56.400 -0.072 0.000 0.810 332 E CB -0.231 29.437 29.700 -0.053 0.000 0.742 332 E HN 0.604 nan 8.360 nan 0.000 0.466 333 T N -2.847 111.706 114.554 -0.001 0.000 3.023 333 T HA 0.358 4.708 4.350 -0.000 0.000 0.249 333 T C 1.973 176.685 174.700 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 3.319 126.149 122.820 0.017 0.000 1.873 334 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 334 A C 2.187 179.769 177.584 -0.004 0.000 1.186 334 A CA 1.548 53.596 52.037 0.018 0.000 0.616 334 A CB -0.341 18.664 19.000 0.008 0.000 0.823 334 A HN 0.724 nan 8.150 nan 0.000 0.442 335 K N -1.270 119.115 120.400 -0.026 0.000 2.483 335 K HA 0.308 4.628 4.320 -0.000 0.000 0.206 335 K C 0.680 177.257 176.600 -0.039 0.000 1.086 335 K CA 0.243 56.512 56.287 -0.030 0.000 1.052 335 K CB 0.155 32.633 32.500 -0.036 0.000 0.904 335 K HN 0.248 nan 8.250 nan 0.000 0.557 336 G N 1.502 110.268 108.800 -0.056 0.000 2.606 336 G HA2 0.073 4.033 3.960 -0.000 0.000 0.252 336 G HA3 0.073 4.033 3.960 -0.000 0.000 0.252 336 G C 0.169 175.010 174.900 -0.099 0.000 1.206 336 G CA -0.539 44.509 45.100 -0.086 0.000 0.861 336 G HN 0.063 nan 8.290 nan 0.000 0.561 337 K N -0.412 119.892 120.400 -0.160 0.000 2.097 337 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 337 K C -0.146 176.131 176.600 -0.538 0.000 1.050 337 K CA 1.225 57.271 56.287 -0.402 0.000 0.938 337 K CB -0.021 32.115 32.500 -0.606 0.000 0.718 337 K HN 0.577 nan 8.250 nan 0.000 0.442 338 Y N -0.477 119.814 120.300 -0.015 0.000 2.562 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.363 338 Y C -2.113 173.789 175.900 0.003 0.000 0.991 338 Y CA -2.166 55.935 58.100 0.002 0.000 1.121 338 Y CB 1.040 39.504 38.460 0.007 0.000 1.159 338 Y HN 0.035 nan 8.280 nan 0.000 0.651 339 P HA -0.132 nan 4.420 nan 0.000 0.215 339 P C 1.122 178.472 177.300 0.083 0.000 1.157 339 P CA 1.553 64.694 63.100 0.068 0.000 0.863 339 P CB 0.508 32.230 31.700 0.038 0.000 0.787 340 N N -0.139 118.613 118.700 0.087 0.000 2.120 340 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 340 N C 1.621 177.190 175.510 0.098 0.000 1.024 340 N CA 1.295 54.394 53.050 0.081 0.000 0.852 340 N CB -0.673 37.857 38.487 0.071 0.000 1.003 340 N HN 0.228 nan 8.380 nan 0.000 0.424 341 E N 0.696 120.977 120.200 0.134 0.000 2.110 341 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 341 E C 1.994 178.697 176.600 0.170 0.000 0.988 341 E CA 0.307 56.795 56.400 0.147 0.000 0.804 341 E CB -0.421 29.368 29.700 0.148 0.000 0.745 341 E HN 0.055 nan 8.360 nan 0.000 0.458 342 V N 0.004 120.000 119.914 0.135 0.000 2.343 342 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 342 V C 2.001 178.163 176.094 0.113 0.000 1.051 342 V CA 1.418 63.781 62.300 0.105 0.000 1.036 342 V CB -0.095 31.760 31.823 0.053 0.000 0.654 342 V HN 0.150 nan 8.190 nan 0.000 0.451 343 V N -0.324 119.644 119.914 0.091 0.000 2.343 343 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 343 V C 2.447 178.587 176.094 0.076 0.000 1.051 343 V CA 2.464 64.809 62.300 0.076 0.000 1.036 343 V CB -0.707 31.154 31.823 0.063 0.000 0.654 343 V HN 0.604 nan 8.190 nan 0.000 0.451 344 Q N -1.542 118.304 119.800 0.076 0.000 2.124 344 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 344 Q C 2.181 178.192 176.000 0.019 0.000 0.977 344 Q CA 2.031 57.855 55.803 0.035 0.000 0.850 344 Q CB -0.230 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 0.126 120.425 120.300 -0.001 0.000 2.181 345 Y HA -0.222 4.327 4.550 -0.000 0.000 0.288 345 Y C 2.267 178.160 175.900 -0.012 0.000 1.146 345 Y CA 1.538 59.632 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 -1.018 118.681 119.600 0.164 0.000 2.117 346 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 346 M C 2.288 178.615 176.300 0.044 0.000 1.065 346 M CA 1.856 57.209 55.300 0.087 0.000 1.114 346 M CB -0.149 32.488 32.600 0.061 0.000 1.361 346 M HN 0.276 nan 8.290 nan 0.000 0.408 347 A N 0.291 123.132 122.820 0.034 0.000 1.902 347 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 347 A C 2.138 179.717 177.584 -0.008 0.000 1.181 347 A CA 1.930 53.974 52.037 0.012 0.000 0.623 347 A CB -0.775 18.234 19.000 0.015 0.000 0.818 347 A HN 0.613 nan 8.150 nan 0.000 0.443 348 R N -0.219 120.267 120.500 -0.023 0.000 2.081 348 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 348 R C 1.895 178.179 176.300 -0.027 0.000 1.131 348 R CA 1.761 57.832 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 0.532 nan 8.270 nan 0.000 0.436 349 I N 0.193 120.763 120.570 0.001 0.000 2.286 349 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 349 I C 2.458 178.548 176.117 -0.045 0.000 1.115 349 I CA 0.921 62.220 61.300 -0.001 0.000 1.392 349 I CB -0.272 37.746 38.000 0.029 0.000 1.065 349 I HN 0.323 nan 8.210 nan 0.000 0.418 350 C N 0.099 119.373 119.300 -0.043 0.000 2.429 350 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 350 C C 2.682 177.631 174.990 -0.068 0.000 1.262 350 C CA 0.374 59.352 59.018 -0.066 0.000 1.733 350 C CB -0.827 26.888 27.740 -0.042 0.000 2.010 350 C HN 0.455 nan 8.230 nan 0.000 0.483 351 L N 1.282 122.473 121.223 -0.052 0.000 2.056 351 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 351 L C 2.474 179.322 176.870 -0.036 0.000 1.078 351 L CA 1.987 56.792 54.840 -0.057 0.000 0.749 351 L CB -1.086 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 -0.349 119.839 120.200 -0.020 0.000 2.077 352 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 352 E C 2.140 178.759 176.600 0.033 0.000 0.989 352 E CA 1.495 57.901 56.400 0.010 0.000 0.800 352 E CB -0.281 29.427 29.700 0.013 0.000 0.746 352 E HN 0.436 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 4.092 4.320 -0.000 0.000 0.219 353 A C 2.211 179.855 177.584 0.100 0.000 1.169 353 A CA 1.680 53.675 52.037 -0.070 0.000 0.635 353 A CB -0.642 18.065 19.000 -0.488 0.000 0.810 353 A HN 0.420 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 4.194 4.340 -0.000 0.000 0.202 354 Q C 2.174 178.228 176.000 0.089 0.000 0.977 354 Q CA 1.701 57.528 55.803 0.041 0.000 0.850 354 Q CB -0.107 28.590 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 4.332 4.470 -0.000 0.000 0.225 355 S C 1.920 176.623 174.600 0.171 0.000 1.030 355 S CA 1.048 59.311 58.200 0.106 0.000 0.999 355 S CB -0.252 62.999 63.200 0.085 0.000 0.844 355 S HN 0.552 nan 8.310 nan 0.000 0.459 356 A N 0.579 123.538 122.820 0.232 0.000 2.121 356 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 356 A C 0.878 178.666 177.584 0.340 0.000 1.154 356 A CA 0.334 52.539 52.037 0.281 0.000 0.679 356 A CB -0.394 18.806 19.000 0.333 0.000 0.795 356 A HN 0.383 nan 8.150 nan 0.000 0.458 357 L N 0.796 122.229 121.223 0.349 0.000 2.455 357 L HA 0.156 4.496 4.340 -0.000 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 3.093 121.872 118.700 0.131 0.000 2.602 358 N HA 0.073 4.813 4.740 -0.000 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 -0.285 0.000 1.244 358 N HN 0.658 nan 8.380 nan 0.000 0.512 359 E N 1.208 121.585 120.200 0.296 0.000 2.153 359 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 359 E C 0.839 177.665 176.600 0.376 0.000 0.988 359 E CA 1.099 57.718 56.400 0.364 0.000 0.811 359 E CB -0.063 29.860 29.700 0.370 0.000 0.746 359 E HN 0.605 nan 8.360 nan 0.000 0.466 360 Y N 0.354 120.727 120.300 0.123 0.000 2.163 360 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 360 Y C 2.062 177.959 175.900 -0.004 0.000 1.136 360 Y CA 1.110 59.118 58.100 -0.153 0.000 1.147 360 Y CB -0.287 38.029 38.460 -0.241 0.000 0.987 360 Y HN -0.141 nan 8.280 nan 0.000 0.509 361 V N -0.231 119.687 119.914 0.006 0.000 2.343 361 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 361 V C 2.238 178.308 176.094 -0.039 0.000 1.051 361 V CA 2.102 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 -0.508 119.415 119.950 -0.045 0.000 2.126 362 F HA -0.270 4.256 4.527 -0.000 0.000 0.299 362 F C 2.216 178.038 175.800 0.036 0.000 1.096 362 F CA 1.909 59.911 58.000 0.003 0.000 1.255 362 F CB -0.176 38.862 39.000 0.065 0.000 0.997 362 F HN 0.273 nan 8.300 nan 0.000 0.479 363 F N 1.540 121.563 119.950 0.121 0.000 2.102 363 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 363 F C 2.163 177.959 175.800 -0.007 0.000 1.105 363 F CA 1.781 59.816 58.000 0.057 0.000 1.239 363 F CB -1.073 37.917 39.000 -0.018 0.000 0.991 363 F HN -0.119 nan 8.300 nan 0.000 0.474 364 N N 0.331 118.732 118.700 -0.499 0.000 2.166 364 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 364 N C 2.022 177.364 175.510 -0.280 0.000 1.019 364 N CA 1.575 54.292 53.050 -0.555 0.000 0.856 364 N CB -0.621 37.558 38.487 -0.514 0.000 0.993 364 N HN 0.302 nan 8.380 nan 0.000 0.426 365 S N 1.202 116.807 115.700 -0.159 0.000 2.368 365 S HA -0.004 4.465 4.470 -0.000 0.000 0.225 365 S C 2.139 176.706 174.600 -0.054 0.000 1.030 365 S CA 0.597 58.737 58.200 -0.101 0.000 0.999 365 S CB -0.150 62.988 63.200 -0.103 0.000 0.844 365 S HN 0.228 nan 8.310 nan 0.000 0.459 366 I N 1.523 122.096 120.570 0.006 0.000 2.226 366 I HA -0.189 3.980 4.170 -0.000 0.000 0.245 366 I C 2.475 178.592 176.117 0.001 0.000 1.100 366 I CA 1.192 62.497 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 1.114 121.517 120.400 0.004 0.000 2.057 367 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 367 K C 2.018 178.603 176.600 -0.024 0.000 1.049 367 K CA 1.318 57.628 56.287 0.038 0.000 0.931 367 K CB 0.069 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 -0.124 4.196 4.320 -0.000 0.000 0.204 368 K C 1.933 178.516 176.600 -0.028 0.000 1.048 368 K CA 0.981 57.231 56.287 -0.061 0.000 0.940 368 K CB -0.086 32.369 32.500 -0.075 0.000 0.729 368 K HN 0.281 nan 8.250 nan 0.000 0.451 369 L N 1.309 122.524 121.223 -0.014 0.000 2.554 369 L HA -0.031 4.309 4.340 -0.000 0.000 0.226 369 L C 0.576 177.463 176.870 0.029 0.000 1.137 369 L CA 0.176 55.017 54.840 0.002 0.000 0.863 369 L CB -0.034 42.022 42.059 -0.005 0.000 0.985 369 L HN 0.064 nan 8.230 nan 0.000 0.451 370 Q N 0.017 119.844 119.800 0.045 0.000 2.293 370 Q HA 0.108 4.448 4.340 -0.000 0.000 0.251 370 Q C -0.420 175.628 176.000 0.080 0.000 0.930 370 Q CA -0.139 55.711 55.803 0.079 0.000 0.893 370 Q CB 0.880 29.687 28.738 0.114 0.000 1.215 370 Q HN 0.221 nan 8.270 nan 0.000 0.425 371 H N 1.346 120.423 119.070 0.011 0.000 2.683 371 H HA 0.311 4.867 4.556 -0.000 0.000 0.339 371 H C -0.880 174.449 175.328 0.002 0.000 1.081 371 H CA -0.333 55.716 56.048 0.002 0.000 1.432 371 H CB 0.476 30.237 29.762 -0.001 0.000 1.462 371 H HN 0.309 nan 8.280 nan 0.000 0.557 372 I N 7.347 127.489 120.570 -0.713 0.000 2.404 372 I HA 0.267 4.437 4.170 -0.000 0.000 0.293 372 I C -1.892 173.792 176.117 -0.721 0.000 0.992 372 I CA -3.062 57.911 61.300 -0.545 0.000 1.149 372 I CB 1.073 38.922 38.000 -0.251 0.000 1.315 372 I HN 0.744 nan 8.210 nan 0.000 0.446 373 P HA 0.465 nan 4.420 nan 0.000 0.279 373 P C -0.293 176.961 177.300 -0.077 0.000 1.282 373 P CA -0.349 62.643 63.100 -0.181 0.000 0.788 373 P CB 1.391 33.052 31.700 -0.065 0.000 1.139 374 M N -0.819 118.783 119.600 0.002 0.000 3.091 374 M HA 0.220 4.700 4.480 -0.000 0.000 0.175 374 M C 0.352 176.671 176.300 0.032 0.000 1.971 374 M CA 0.099 55.444 55.300 0.076 0.000 1.514 374 M CB -0.084 32.558 32.600 0.069 0.000 1.093 374 M HN 0.496 nan 8.290 nan 0.000 0.602 375 S N -0.438 115.262 115.700 0.000 0.000 2.542 375 S HA 0.667 5.137 4.470 -0.000 0.000 0.276 375 S C 0.034 174.601 174.600 -0.055 0.000 1.148 375 S CA -0.320 57.852 58.200 -0.047 0.000 0.886 375 S CB 1.437 64.600 63.200 -0.061 0.000 1.109 375 S HN 0.456 nan 8.310 nan 0.000 0.458 376 A N 2.368 125.132 122.820 -0.093 0.000 1.892 376 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 376 A C 1.877 179.469 177.584 0.012 0.000 1.188 376 A CA 2.359 54.374 52.037 -0.036 0.000 0.631 376 A CB -1.271 17.722 19.000 -0.012 0.000 0.822 376 A HN 1.032 nan 8.150 nan 0.000 0.447 377 D N -0.258 120.135 120.400 -0.011 0.000 2.144 377 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 377 D C 1.711 178.038 176.300 0.044 0.000 0.984 377 D CA 1.504 55.554 54.000 0.082 0.000 0.834 377 D CB -0.774 40.105 40.800 0.130 0.000 0.955 377 D HN 0.691 nan 8.370 nan 0.000 0.465 378 E N 0.914 121.129 120.200 0.025 0.000 2.077 378 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 378 E C 2.142 178.728 176.600 -0.023 0.000 0.989 378 E CA 1.262 57.691 56.400 0.047 0.000 0.800 378 E CB -0.173 29.577 29.700 0.084 0.000 0.746 378 E HN 0.293 nan 8.360 nan 0.000 0.452 379 A N 0.234 123.036 122.820 -0.030 0.000 1.933 379 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 379 A C 2.401 179.943 177.584 -0.069 0.000 1.175 379 A CA 1.345 53.346 52.037 -0.059 0.000 0.628 379 A CB -0.622 18.357 19.000 -0.036 0.000 0.814 379 A HN 0.235 nan 8.150 nan 0.000 0.444 380 V N -0.812 119.081 119.914 -0.035 0.000 2.295 380 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 380 V C 2.667 178.725 176.094 -0.060 0.000 1.049 380 V CA 2.155 64.434 62.300 -0.035 0.000 1.024 380 V CB -0.878 30.944 31.823 -0.001 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 -0.058 0.000 2.446 381 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 381 C C 3.282 178.158 174.990 -0.190 0.000 1.275 381 C CA 1.429 60.406 59.018 -0.067 0.000 1.727 381 C CB -0.982 26.775 27.740 0.028 0.000 2.010 381 C HN 0.705 nan 8.230 nan 0.000 0.486 382 S N 1.593 117.044 115.700 -0.416 0.000 2.356 382 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 382 S C 2.084 176.623 174.600 -0.101 0.000 1.032 382 S CA 2.438 60.297 58.200 -0.568 0.000 1.005 382 S CB -0.665 62.065 63.200 -0.784 0.000 0.867 382 S HN 0.723 nan 8.310 nan 0.000 0.449 383 S N 1.671 117.324 115.700 -0.079 0.000 2.399 383 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 383 S C 2.113 176.702 174.600 -0.018 0.000 1.022 383 S CA 1.201 59.399 58.200 -0.003 0.000 0.983 383 S CB -0.985 62.202 63.200 -0.021 0.000 0.803 383 S HN 0.828 nan 8.310 nan 0.000 0.480 384 A N 1.244 124.028 122.820 -0.061 0.000 1.933 384 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 384 A C 2.406 179.933 177.584 -0.095 0.000 1.175 384 A CA 1.622 53.614 52.037 -0.074 0.000 0.628 384 A CB -1.079 17.875 19.000 -0.078 0.000 0.814 384 A HN 0.500 nan 8.150 nan 0.000 0.444 385 V N 1.228 121.063 119.914 -0.132 0.000 2.407 385 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 385 V C 2.474 178.429 176.094 -0.231 0.000 1.055 385 V CA 2.066 64.217 62.300 -0.248 0.000 1.049 385 V CB -0.989 30.610 31.823 -0.372 0.000 0.662 385 V HN 0.787 nan 8.190 nan 0.000 0.455 386 N N 0.014 118.671 118.700 -0.072 0.000 2.166 386 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 386 N C 1.944 177.534 175.510 0.133 0.000 1.019 386 N CA 1.711 54.875 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 0.049 115.766 115.700 0.028 0.000 2.382 387 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 387 S C 2.062 176.636 174.600 -0.043 0.000 1.027 387 S CA 0.760 58.950 58.200 -0.018 0.000 0.991 387 S CB -0.105 63.059 63.200 -0.061 0.000 0.823 387 S HN 0.197 nan 8.310 nan 0.000 0.469 388 V N 0.388 120.247 119.914 -0.091 0.000 2.295 388 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 388 V C 1.882 177.889 176.094 -0.145 0.000 1.049 388 V CA 1.671 63.875 62.300 -0.161 0.000 1.024 388 V CB -0.835 30.813 31.823 -0.292 0.000 0.648 388 V HN 0.490 nan 8.190 nan 0.000 0.447 389 Y N 0.600 120.890 120.300 -0.018 0.000 2.181 389 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 389 Y C 2.577 178.492 175.900 0.025 0.000 1.146 389 Y CA 1.696 59.817 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 4.184 4.350 -0.000 0.000 0.193 390 E C 1.984 178.614 176.600 0.050 0.000 0.988 390 E CA 1.830 58.287 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 -2.283 112.285 114.554 0.022 0.000 3.081 391 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 391 T C 0.561 175.346 174.700 0.142 0.000 1.100 391 T CA -0.098 62.029 62.100 0.046 0.000 1.038 391 T CB 0.042 68.847 68.868 -0.105 0.000 0.962 391 T HN -0.003 nan 8.240 nan 0.000 0.516 392 K N 0.951 121.399 120.400 0.079 0.000 3.096 392 K HA -0.108 4.212 4.320 -0.000 0.000 0.266 392 K C 0.176 176.817 176.600 0.068 0.000 1.043 392 K CA 0.037 56.360 56.287 0.059 0.000 0.758 392 K CB -2.038 30.503 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 4.387 4.320 -0.000 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 0.334 nan 8.150 nan 0.000 0.494 394 K N 0.794 121.196 120.400 0.003 0.000 2.374 394 K HA 0.381 4.700 4.320 -0.000 0.000 0.196 394 K C 0.297 176.860 176.600 -0.063 0.000 1.023 394 K CA 0.937 57.208 56.287 -0.027 0.000 1.103 394 K CB 0.275 32.778 32.500 0.006 0.000 0.848 394 K HN 0.789 nan 8.250 nan 0.000 0.528 395 A N 0.879 123.670 122.820 -0.049 0.000 2.599 395 A HA 0.740 5.060 4.320 -0.000 0.000 0.290 395 A C -1.730 175.824 177.584 -0.050 0.000 1.101 395 A CA -0.707 51.292 52.037 -0.063 0.000 0.674 395 A CB 1.525 20.541 19.000 0.027 0.000 1.277 395 A HN 0.101 nan 8.150 nan 0.000 0.419 396 M N 0.753 120.323 119.600 -0.051 0.000 2.446 396 M HA 0.604 5.084 4.480 -0.000 0.000 0.294 396 M C -1.855 174.442 176.300 -0.005 0.000 1.158 396 M CA -0.590 54.685 55.300 -0.041 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 3.907 123.825 119.914 0.007 0.000 2.588 397 V HA 0.728 4.848 4.120 -0.000 0.000 0.304 397 V C -0.945 175.163 176.094 0.022 0.000 1.042 397 V CA -0.726 61.588 62.300 0.024 0.000 0.877 397 V CB 1.963 33.812 31.823 0.044 0.000 0.996 397 V HN 0.673 nan 8.190 nan 0.000 0.425 398 V N 4.023 123.948 119.914 0.019 0.000 2.823 398 V HA 0.617 4.737 4.120 -0.000 0.000 0.312 398 V C -0.874 175.235 176.094 0.024 0.000 1.072 398 V CA -0.987 61.329 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 0.544 nan 8.190 nan 0.000 0.430 399 L N 2.888 124.136 121.223 0.041 0.000 2.257 399 L HA 0.699 5.039 4.340 -0.000 0.000 0.290 399 L C 0.312 177.195 176.870 0.021 0.000 1.044 399 L CA 0.606 55.452 54.840 0.010 0.000 0.810 399 L CB 1.118 43.174 42.059 -0.005 0.000 1.193 399 L HN 0.875 nan 8.230 nan 0.000 0.425 400 S N 2.616 118.327 115.700 0.018 0.000 2.614 400 S HA 0.490 4.960 4.470 -0.000 0.000 0.288 400 S C 0.442 175.065 174.600 0.038 0.000 1.137 400 S CA -0.705 57.514 58.200 0.031 0.000 0.992 400 S CB 0.710 63.932 63.200 0.037 0.000 1.026 400 S HN 0.632 nan 8.310 nan 0.000 0.486 401 N N 2.246 120.971 118.700 0.041 0.000 2.349 401 N HA -0.050 4.690 4.740 -0.000 0.000 0.180 401 N C 1.906 177.448 175.510 0.054 0.000 1.024 401 N CA 1.580 54.663 53.050 0.055 0.000 0.869 401 N CB -0.719 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 -2.071 112.510 114.554 0.045 0.000 2.995 402 T HA 0.136 4.486 4.350 -0.000 0.000 0.269 402 T C 1.555 176.279 174.700 0.040 0.000 1.091 402 T CA 1.494 63.618 62.100 0.041 0.000 1.128 402 T CB -0.146 68.745 68.868 0.038 0.000 0.891 402 T HN 0.370 nan 8.240 nan 0.000 0.492 403 G N 1.161 109.986 108.800 0.042 0.000 2.195 403 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.246 403 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.246 403 G C 0.985 175.909 174.900 0.040 0.000 0.984 403 G CA 0.533 45.657 45.100 0.039 0.000 0.633 403 G HN 0.574 nan 8.290 nan 0.000 0.525 404 R N 0.729 121.254 120.500 0.043 0.000 2.080 404 R HA -0.035 4.305 4.340 -0.000 0.000 0.236 404 R C 2.826 179.158 176.300 0.054 0.000 1.137 404 R CA 2.189 58.317 56.100 0.046 0.000 0.943 404 R CB -0.424 29.905 30.300 0.049 0.000 0.846 404 R HN 0.418 nan 8.270 nan 0.000 0.431 405 S N 0.166 115.901 115.700 0.058 0.000 2.370 405 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 405 S C 1.924 176.558 174.600 0.056 0.000 1.033 405 S CA 1.244 59.482 58.200 0.063 0.000 1.011 405 S CB -0.193 63.043 63.200 0.060 0.000 0.852 405 S HN 0.537 nan 8.310 nan 0.000 0.457 406 A N 1.770 124.618 122.820 0.045 0.000 1.902 406 A HA -0.099 4.221 4.320 -0.000 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 -0.084 4.256 4.340 -0.000 0.000 0.235 407 R C 2.045 178.375 176.300 0.050 0.000 1.127 407 R CA 1.310 57.431 56.100 0.036 0.000 0.968 407 R CB -0.504 29.814 30.300 0.031 0.000 0.861 407 R HN 0.450 nan 8.270 nan 0.000 0.440 408 L N 0.541 121.809 121.223 0.075 0.000 2.046 408 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 408 L C 2.097 179.089 176.870 0.203 0.000 1.077 408 L CA 1.522 56.438 54.840 0.127 0.000 0.747 408 L CB -0.249 41.884 42.059 0.123 0.000 0.896 408 L HN -0.069 nan 8.230 nan 0.000 0.432 409 V N -0.477 119.524 119.914 0.146 0.000 2.358 409 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 409 V C 2.688 178.862 176.094 0.133 0.000 1.047 409 V CA 1.526 63.915 62.300 0.148 0.000 1.035 409 V CB -1.202 30.661 31.823 0.067 0.000 0.658 409 V HN 0.556 nan 8.190 nan 0.000 0.452 410 A N 0.149 123.010 122.820 0.068 0.000 2.019 410 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 410 A C 2.307 179.888 177.584 -0.005 0.000 1.164 410 A CA 1.951 54.004 52.037 0.026 0.000 0.644 410 A CB -0.519 18.488 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 4.144 4.320 -0.000 0.000 0.204 411 K C 0.920 177.362 176.600 -0.262 0.000 1.047 411 K CA 1.574 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 1.143 121.485 120.300 0.071 0.000 2.461 412 Y HA 0.222 4.772 4.550 -0.000 0.000 0.277 412 Y C -0.188 175.798 175.900 0.142 0.000 1.182 412 Y CA -0.174 58.036 58.100 0.184 0.000 1.276 412 Y CB 0.421 39.032 38.460 0.253 0.000 1.087 412 Y HN -0.032 nan 8.280 nan 0.000 0.519 413 R N -0.417 120.133 120.500 0.083 0.000 3.146 413 R HA -0.155 4.185 4.340 -0.000 0.000 0.250 413 R C -2.980 173.401 176.300 0.135 0.000 0.912 413 R CA 0.186 56.307 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 0.012 nan 4.420 nan 0.000 0.272 414 P C 0.419 177.673 177.300 -0.075 0.000 1.240 414 P CA -0.158 62.863 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 0.055 118.595 118.700 -0.268 0.000 2.295 415 N HA 0.060 4.800 4.740 -0.000 0.000 0.221 415 N C -0.212 175.305 175.510 0.013 0.000 1.129 415 N CA -0.453 52.584 53.050 -0.021 0.000 0.836 415 N CB -1.143 37.401 38.487 0.094 0.000 1.040 415 N HN 0.447 nan 8.380 nan 0.000 0.494 416 C N -2.711 116.532 119.300 -0.094 0.000 3.171 416 C HA 0.751 5.211 4.460 -0.000 0.000 0.308 416 C C -3.017 171.660 174.990 -0.523 0.000 1.334 416 C CA -1.958 56.903 59.018 -0.262 0.000 1.473 416 C CB 1.471 29.070 27.740 -0.235 0.000 1.866 416 C HN 0.006 nan 8.230 nan 0.000 0.465 417 P HA 0.414 nan 4.420 nan 0.000 0.269 417 P C -0.837 176.235 177.300 -0.381 0.000 1.209 417 P CA 0.297 62.838 63.100 -0.931 0.000 0.776 417 P CB 0.301 31.246 31.700 -1.259 0.000 0.876 418 I N 1.926 122.370 120.570 -0.211 0.000 2.378 418 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 418 I C -0.492 175.610 176.117 -0.026 0.000 0.992 418 I CA -0.783 60.464 61.300 -0.090 0.000 1.154 418 I CB 1.744 39.714 38.000 -0.050 0.000 1.315 418 I HN -0.055 nan 8.210 nan 0.000 0.448 419 V N 5.817 125.734 119.914 0.006 0.000 2.378 419 V HA 0.244 4.364 4.120 -0.000 0.000 0.288 419 V C -0.313 175.771 176.094 -0.016 0.000 1.016 419 V CA -0.638 61.674 62.300 0.021 0.000 0.840 419 V CB 1.515 33.407 31.823 0.114 0.000 0.994 419 V HN 0.864 nan 8.190 nan 0.000 0.431 420 C N 6.629 125.902 119.300 -0.045 0.000 2.330 420 C HA 0.762 5.222 4.460 -0.000 0.000 0.344 420 C C 0.016 174.976 174.990 -0.050 0.000 1.273 420 C CA -0.168 58.831 59.018 -0.031 0.000 1.879 420 C CB 0.432 28.164 27.740 -0.012 0.000 2.376 420 C HN 0.701 nan 8.230 nan 0.000 0.534 421 V N 6.366 126.260 119.914 -0.034 0.000 2.357 421 V HA 0.558 4.678 4.120 -0.000 0.000 0.284 421 V C 0.415 176.503 176.094 -0.010 0.000 1.018 421 V CA 0.021 62.298 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 2.133 116.715 114.554 0.046 0.000 2.893 422 T HA 0.400 4.750 4.350 -0.000 0.000 0.291 422 T C 0.837 175.632 174.700 0.159 0.000 1.028 422 T CA 0.234 62.391 62.100 0.096 0.000 0.995 422 T CB 1.739 70.676 68.868 0.115 0.000 1.051 422 T HN 0.845 nan 8.240 nan 0.000 0.470 423 T N 1.311 115.963 114.554 0.163 0.000 3.122 423 T HA 0.395 4.745 4.350 -0.000 0.000 0.250 423 T C 0.505 175.442 174.700 0.395 0.000 1.067 423 T CA -0.228 61.996 62.100 0.207 0.000 0.966 423 T CB -0.023 68.947 68.868 0.169 0.000 1.002 423 T HN 0.329 nan 8.240 nan 0.000 0.542 424 R N 0.221 120.930 120.500 0.348 0.000 2.480 424 R HA 0.610 4.950 4.340 -0.000 0.000 0.306 424 R C 0.826 177.200 176.300 0.124 0.000 0.958 424 R CA -0.629 55.611 56.100 0.234 0.000 0.861 424 R CB 1.215 31.586 30.300 0.118 0.000 1.171 424 R HN 0.056 nan 8.270 nan 0.000 0.445 425 L N 1.646 122.795 121.223 -0.123 0.000 2.083 425 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 425 L C 2.197 179.000 176.870 -0.112 0.000 1.083 425 L CA 1.496 56.171 54.840 -0.275 0.000 0.752 425 L CB -0.053 41.723 42.059 -0.472 0.000 0.899 425 L HN 0.719 nan 8.230 nan 0.000 0.433 426 Q N -0.654 119.104 119.800 -0.069 0.000 2.170 426 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 426 Q C 1.965 177.958 176.000 -0.011 0.000 0.976 426 Q CA 2.037 57.816 55.803 -0.040 0.000 0.858 426 Q CB 0.061 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 -0.305 114.257 114.554 0.013 0.000 2.788 427 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 427 T C 1.841 176.557 174.700 0.028 0.000 1.044 427 T CA 1.298 63.416 62.100 0.031 0.000 1.139 427 T CB -0.388 68.513 68.868 0.055 0.000 0.867 427 T HN 0.455 nan 8.240 nan 0.000 0.454 428 C N 1.397 120.712 119.300 0.024 0.000 2.429 428 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 428 C C 2.822 177.817 174.990 0.008 0.000 1.262 428 C CA 0.373 59.402 59.018 0.019 0.000 1.733 428 C CB -1.004 26.744 27.740 0.014 0.000 2.010 428 C HN 0.557 nan 8.230 nan 0.000 0.483 429 R N 0.542 121.038 120.500 -0.007 0.000 2.075 429 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 429 R C 2.299 178.605 176.300 0.010 0.000 1.126 429 R CA 1.205 57.303 56.100 -0.004 0.000 0.963 429 R CB -0.424 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 0.011 0.000 2.170 430 Q HA -0.070 4.270 4.340 -0.000 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 0.774 122.015 121.223 0.031 0.000 2.622 431 L HA -0.074 4.266 4.340 -0.000 0.000 0.233 431 L C 1.092 177.986 176.870 0.040 0.000 1.156 431 L CA 0.016 54.876 54.840 0.034 0.000 0.866 431 L CB -0.198 41.879 42.059 0.029 0.000 0.980 431 L HN 0.186 nan 8.230 nan 0.000 0.448 432 N N 0.671 119.397 118.700 0.043 0.000 2.512 432 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 432 N C 1.556 177.103 175.510 0.062 0.000 1.073 432 N CA 0.793 53.874 53.050 0.052 0.000 0.911 432 N CB 0.006 38.523 38.487 0.049 0.000 0.964 432 N HN 0.531 nan 8.380 nan 0.000 0.447 433 I N -4.029 116.579 120.570 0.064 0.000 3.956 433 I HA 0.241 4.411 4.170 -0.000 0.000 0.333 433 I C -0.322 175.823 176.117 0.047 0.000 1.302 433 I CA 0.057 61.398 61.300 0.067 0.000 1.122 433 I CB 0.080 38.135 38.000 0.092 0.000 1.013 433 I HN -0.279 nan 8.210 nan 0.000 0.405 434 T N 3.095 117.674 114.554 0.041 0.000 2.767 434 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 434 T C -0.123 174.595 174.700 0.030 0.000 0.973 434 T CA -0.422 61.696 62.100 0.029 0.000 0.996 434 T CB 1.298 70.182 68.868 0.027 0.000 0.927 434 T HN 0.401 nan 8.240 nan 0.000 0.456 435 Q N 1.861 121.672 119.800 0.018 0.000 2.392 435 Q HA 0.459 4.799 4.340 -0.000 0.000 0.262 435 Q C 1.088 177.111 176.000 0.039 0.000 1.003 435 Q CA 0.422 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 0.841 nan 8.270 nan 0.000 0.435 436 G N 0.357 109.203 108.800 0.077 0.000 2.153 436 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.252 436 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.252 436 G C -0.368 174.573 174.900 0.068 0.000 0.994 436 G CA 0.103 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 -0.146 119.804 119.914 0.061 0.000 2.656 437 V HA 0.655 4.775 4.120 -0.000 0.000 0.307 437 V C -0.058 176.069 176.094 0.056 0.000 1.051 437 V CA -0.781 61.542 62.300 0.038 0.000 0.893 437 V CB 2.005 33.844 31.823 0.027 0.000 0.999 437 V HN 0.358 nan 8.190 nan 0.000 0.426 438 E N 1.766 121.994 120.200 0.046 0.000 2.222 438 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 438 E C -1.155 175.393 176.600 -0.088 0.000 0.884 438 E CA -0.482 55.941 56.400 0.040 0.000 0.764 438 E CB 2.255 32.065 29.700 0.182 0.000 1.169 438 E HN 0.646 nan 8.360 nan 0.000 0.413 439 S N 1.259 116.889 115.700 -0.116 0.000 2.509 439 S HA 0.467 4.937 4.470 -0.000 0.000 0.297 439 S C -0.624 173.826 174.600 -0.250 0.000 1.118 439 S CA -0.747 57.372 58.200 -0.134 0.000 1.074 439 S CB 1.451 64.634 63.200 -0.028 0.000 1.038 439 S HN 0.229 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 4.526 4.120 -0.000 0.000 0.291 440 V C -0.622 175.506 176.094 0.058 0.000 1.020 440 V CA -0.785 61.422 62.300 -0.156 0.000 0.848 440 V CB 0.970 32.658 31.823 -0.225 0.000 0.990 440 V HN 0.840 nan 8.190 nan 0.000 0.430 441 F N 6.062 126.004 119.950 -0.013 0.000 2.427 441 F HA 0.592 5.119 4.527 -0.000 0.000 0.352 441 F C -0.723 175.144 175.800 0.111 0.000 1.100 441 F CA -1.059 56.966 58.000 0.041 0.000 1.191 441 F CB 0.767 39.776 39.000 0.015 0.000 1.128 441 F HN 0.429 nan 8.300 nan 0.000 0.533 442 F N 6.453 125.903 119.950 -0.832 0.000 2.460 442 F HA 0.277 4.804 4.527 -0.000 0.000 0.341 442 F C -0.631 174.564 175.800 -1.008 0.000 1.130 442 F CA -0.885 56.699 58.000 -0.693 0.000 0.962 442 F CB 0.543 39.356 39.000 -0.311 0.000 1.171 442 F HN 0.404 nan 8.300 nan 0.000 0.436 443 D N 5.079 124.766 120.400 -1.189 0.000 2.374 443 D HA 0.282 4.922 4.640 -0.000 0.000 0.240 443 D C 0.918 176.922 176.300 -0.494 0.000 1.229 443 D CA 0.377 53.942 54.000 -0.724 0.000 0.895 443 D CB 1.620 42.192 40.800 -0.380 0.000 1.046 443 D HN 0.718 nan 8.370 nan 0.000 0.498 444 A N 4.058 126.772 122.820 -0.176 0.000 1.933 444 A HA -0.195 4.125 4.320 -0.000 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 -0.099 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 -0.475 119.869 120.400 -0.093 0.000 2.084 445 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 445 D C 1.955 178.173 176.300 -0.136 0.000 0.990 445 D CA 1.691 55.632 54.000 -0.099 0.000 0.826 445 D CB -0.208 40.572 40.800 -0.034 0.000 0.971 445 D HN 0.384 nan 8.370 nan 0.000 0.453 446 K N 0.165 120.473 120.400 -0.154 0.000 2.026 446 K HA 0.031 4.351 4.320 -0.000 0.000 0.208 446 K C 1.608 178.075 176.600 -0.221 0.000 1.048 446 K CA 0.980 57.165 56.287 -0.170 0.000 0.929 446 K CB -0.107 32.289 32.500 -0.174 0.000 0.713 446 K HN 0.129 nan 8.250 nan 0.000 0.439 447 L N -0.558 120.471 121.223 -0.324 0.000 2.640 447 L HA 0.345 4.685 4.340 -0.000 0.000 0.230 447 L C 0.549 177.311 176.870 -0.180 0.000 1.123 447 L CA -0.189 54.446 54.840 -0.342 0.000 0.900 447 L CB 0.175 41.841 42.059 -0.655 0.000 1.146 447 L HN 0.395 nan 8.230 nan 0.000 0.484 448 G N -0.449 108.259 108.800 -0.152 0.000 2.746 448 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.685 448 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.685 448 G C 0.047 174.983 174.900 0.060 0.000 1.350 448 G CA -0.518 44.518 45.100 -0.107 0.000 0.837 448 G HN 0.157 nan 8.290 nan 0.000 0.564 449 H N 0.506 119.635 119.070 0.099 0.000 2.524 449 H HA 0.038 4.594 4.556 -0.000 0.000 0.282 449 H C 1.705 177.086 175.328 0.088 0.000 1.016 449 H CA 1.576 57.679 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 0.848 nan 8.280 nan 0.000 0.568 450 D N 1.156 121.695 120.400 0.231 0.000 2.689 450 D HA -0.164 4.476 4.640 -0.000 0.000 0.237 450 D C 1.212 177.530 176.300 0.030 0.000 1.148 450 D CA 0.750 54.837 54.000 0.144 0.000 0.656 450 D CB -0.622 40.215 40.800 0.062 0.000 1.050 450 D HN 0.607 nan 8.370 nan 0.000 0.426 451 E N -0.996 119.231 120.200 0.046 0.000 2.204 451 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 451 E C 2.106 178.703 176.600 -0.005 0.000 0.990 451 E CA 1.241 57.646 56.400 0.009 0.000 0.821 451 E CB -0.350 29.357 29.700 0.011 0.000 0.750 451 E HN 0.514 nan 8.360 nan 0.000 0.477 452 G N 0.864 109.643 108.800 -0.035 0.000 2.880 452 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.209 452 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.209 452 G C 0.641 175.520 174.900 -0.035 0.000 1.157 452 G CA 0.249 45.352 45.100 0.006 0.000 0.779 452 G HN 0.197 nan 8.290 nan 0.000 0.539 453 K N -0.946 119.360 120.400 -0.158 0.000 3.548 453 K HA -0.223 4.097 4.320 -0.000 0.000 0.296 453 K C 1.634 178.042 176.600 -0.320 0.000 1.324 453 K CA 1.348 57.448 56.287 -0.312 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 -0.044 119.991 120.200 -0.276 0.000 2.110 454 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 454 E C 1.460 177.904 176.600 -0.260 0.000 0.988 454 E CA 1.617 57.855 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 0.607 nan 8.360 nan 0.000 0.458 455 H N 0.738 119.743 119.070 -0.108 0.000 2.326 455 H HA 0.073 4.629 4.556 -0.000 0.000 0.301 455 H C 2.275 177.477 175.328 -0.210 0.000 1.081 455 H CA 1.268 57.269 56.048 -0.077 0.000 1.334 455 H CB 0.046 29.840 29.762 0.054 0.000 1.385 455 H HN -0.009 nan 8.280 nan 0.000 0.504 456 R N 0.257 120.522 120.500 -0.392 0.000 2.081 456 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 456 R C 2.313 178.491 176.300 -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 29.637 30.300 -0.607 0.000 0.856 456 R HN 0.151 nan 8.270 nan 0.000 0.436 457 V N 0.893 120.704 119.914 -0.171 0.000 2.343 457 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 457 V C 2.408 178.495 176.094 -0.013 0.000 1.051 457 V CA 1.966 64.221 62.300 -0.075 0.000 1.036 457 V CB -0.657 31.124 31.823 -0.070 0.000 0.654 457 V HN 0.420 nan 8.190 nan 0.000 0.451 458 A N -0.073 122.747 122.820 -0.001 0.000 1.933 458 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 458 A C 2.423 180.052 177.584 0.074 0.000 1.175 458 A CA 2.026 54.090 52.037 0.046 0.000 0.628 458 A CB -0.718 18.324 19.000 0.070 0.000 0.814 458 A HN 0.563 nan 8.150 nan 0.000 0.444 459 A N -0.461 122.410 122.820 0.085 0.000 1.902 459 A HA 0.136 4.456 4.320 -0.000 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 0.157 0.000 0.818 459 A HN 0.712 nan 8.150 nan 0.000 0.443 460 G N -0.679 108.166 108.800 0.074 0.000 2.418 460 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 460 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 460 G C 1.518 176.510 174.900 0.152 0.000 1.158 460 G CA 1.180 46.336 45.100 0.095 0.000 0.771 460 G HN 0.303 nan 8.290 nan 0.000 0.545 461 V N 0.802 120.779 119.914 0.105 0.000 2.343 461 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 461 V C 2.720 178.873 176.094 0.099 0.000 1.051 461 V CA 2.333 64.691 62.300 0.097 0.000 1.036 461 V CB -0.147 31.715 31.823 0.064 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 4.091 4.350 -0.000 0.000 0.193 462 E C 1.916 178.570 176.600 0.089 0.000 0.989 462 E CA 1.688 58.137 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 -0.117 4.410 4.527 -0.000 0.000 0.299 463 F C 2.036 177.816 175.800 -0.033 0.000 1.097 463 F CA 1.760 59.760 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 0.251 123.145 122.820 0.124 0.000 1.933 464 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 464 A C 2.282 179.782 177.584 -0.140 0.000 1.175 464 A CA 1.693 53.749 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 0.014 120.360 120.400 -0.089 0.000 2.057 465 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 465 K C 2.530 179.018 176.600 -0.187 0.000 1.049 465 K CA 1.573 57.797 56.287 -0.104 0.000 0.931 465 K CB -0.216 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 1.145 116.705 115.700 -0.232 0.000 2.382 466 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 466 S C 1.654 176.020 174.600 -0.390 0.000 1.027 466 S CA 1.077 59.114 58.200 -0.271 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 0.566 120.585 120.400 -0.636 0.000 2.444 467 K HA 0.207 4.527 4.320 -0.000 0.000 0.193 467 K C 1.399 177.598 176.600 -0.668 0.000 1.024 467 K CA 0.636 56.473 56.287 -0.751 0.000 1.077 467 K CB -0.133 31.666 32.500 -1.169 0.000 0.833 467 K HN 0.648 nan 8.250 nan 0.000 0.517 468 G N 1.280 109.800 108.800 -0.466 0.000 2.159 468 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 468 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 468 G C 0.583 175.419 174.900 -0.107 0.000 0.977 468 G CA 0.255 45.210 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 4.782 4.550 -0.000 0.000 0.289 469 Y C 1.957 177.830 175.900 -0.045 0.000 1.146 469 Y CA 0.881 58.947 58.100 -0.056 0.000 1.182 469 Y CB -0.678 37.734 38.460 -0.080 0.000 0.983 469 Y HN 0.769 nan 8.280 nan 0.000 0.524 470 V N -1.477 118.482 119.914 0.076 0.000 2.914 470 V HA 0.695 4.815 4.120 -0.000 0.000 0.314 470 V C -0.900 175.189 176.094 -0.008 0.000 1.084 470 V CA -1.228 61.090 62.300 0.030 0.000 0.963 470 V CB 2.070 33.914 31.823 0.035 0.000 1.025 470 V HN 0.156 nan 8.190 nan 0.000 0.432 471 Q N 0.766 120.555 119.800 -0.017 0.000 2.587 471 Q HA 0.644 4.984 4.340 -0.000 0.000 0.293 471 Q C -0.541 175.438 176.000 -0.035 0.000 1.083 471 Q CA -0.894 54.892 55.803 -0.028 0.000 0.792 471 Q CB 1.458 30.179 28.738 -0.029 0.000 1.484 471 Q HN 0.880 nan 8.270 nan 0.000 0.446 472 T N -1.223 113.311 114.554 -0.035 0.000 2.940 472 T HA 0.389 4.739 4.350 -0.000 0.000 0.309 472 T C 1.120 175.783 174.700 -0.061 0.000 1.056 472 T CA 0.301 62.379 62.100 -0.038 0.000 1.137 472 T CB 0.512 69.363 68.868 -0.028 0.000 0.976 472 T HN 1.084 nan 8.240 nan 0.000 0.547 473 G N 1.749 110.502 108.800 -0.080 0.000 2.195 473 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G C -0.163 174.592 174.900 -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 -0.092 120.198 120.400 -0.183 0.000 2.344 474 D HA 0.522 5.162 4.640 -0.000 0.000 0.244 474 D C 0.155 176.346 176.300 -0.182 0.000 1.134 474 D CA 0.049 53.924 54.000 -0.209 0.000 0.930 474 D CB 0.377 41.130 40.800 -0.080 0.000 1.175 474 D HN 0.134 nan 8.370 nan 0.000 0.437 475 Y N 0.083 120.378 120.300 -0.009 0.000 2.308 475 Y HA 0.296 4.846 4.550 -0.000 0.000 0.329 475 Y C 0.451 176.339 175.900 -0.019 0.000 1.111 475 Y CA -0.994 57.097 58.100 -0.015 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 4.255 123.654 119.300 0.166 0.000 2.396 476 C HA 0.801 5.261 4.460 -0.000 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 -0.314 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 -0.000 0.000 0.278 477 V C -0.040 176.034 176.094 -0.034 0.000 1.037 477 V CA -0.189 62.090 62.300 -0.036 0.000 0.900 477 V CB 1.498 33.281 31.823 -0.067 0.000 0.983 477 V HN 0.742 nan 8.190 nan 0.000 0.459 478 V N 6.651 126.537 119.914 -0.047 0.000 2.604 478 V HA 0.575 4.695 4.120 -0.000 0.000 0.305 478 V C -0.375 175.646 176.094 -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 0.691 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 4.882 4.170 -0.000 0.000 0.287 479 I C -0.456 175.612 176.117 -0.082 0.000 1.023 479 I CA -0.246 60.965 61.300 -0.148 0.000 1.083 479 I CB 1.652 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 3.878 122.916 119.070 -0.054 0.000 2.888 480 H HA 0.791 5.347 4.556 -0.000 0.000 0.267 480 H C -0.969 174.304 175.328 -0.091 0.000 1.482 480 H CA -1.009 55.000 56.048 -0.066 0.000 1.165 480 H CB 0.465 30.182 29.762 -0.075 0.000 1.866 480 H HN 0.542 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 4.740 4.320 -0.000 0.000 0.261 481 A C -0.125 177.492 177.584 0.055 0.000 1.090 481 A CA 0.161 52.188 52.037 -0.017 0.000 0.807 481 A CB -0.298 18.640 19.000 -0.104 0.000 1.055 481 A HN 0.810 nan 8.150 nan 0.000 0.492 482 D N -1.047 119.306 120.400 -0.079 0.000 2.440 482 D HA 0.126 4.766 4.640 -0.000 0.000 0.269 482 D C 0.791 177.027 176.300 -0.105 0.000 1.249 482 D CA -0.071 53.833 54.000 -0.160 0.000 1.055 482 D CB -0.091 40.612 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 -0.026 4.529 4.556 -0.000 0.000 0.299 483 H C 1.766 177.072 175.328 -0.036 0.000 1.081 483 H CA 1.345 57.377 56.048 -0.027 0.000 1.345 483 H CB -0.078 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 0.831 121.275 120.400 0.074 0.000 2.031 484 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 484 K C 0.427 177.012 176.600 -0.025 0.000 1.049 484 K CA 0.278 56.578 56.287 0.020 0.000 0.939 484 K CB 0.178 32.686 32.500 0.013 0.000 0.717 484 K HN -0.072 nan 8.250 nan 0.000 0.438 485 V N 3.227 123.096 119.914 -0.075 0.000 2.637 485 V HA 0.031 4.151 4.120 -0.000 0.000 0.296 485 V C 0.022 176.011 176.094 -0.175 0.000 1.046 485 V CA 0.214 62.419 62.300 -0.159 0.000 1.066 485 V CB 1.115 32.755 31.823 -0.305 0.000 0.968 485 V HN 0.206 nan 8.190 nan 0.000 0.483 486 K N 2.711 123.022 120.400 -0.149 0.000 2.371 486 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 486 K C 0.770 177.344 176.600 -0.044 0.000 0.934 486 K CA 0.035 56.268 56.287 -0.091 0.000 0.798 486 K CB 1.730 34.210 32.500 -0.035 0.000 1.204 486 K HN 0.903 nan 8.250 nan 0.000 0.427 487 G N 1.573 110.368 108.800 -0.009 0.000 2.213 487 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 487 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 487 G C -0.346 174.674 174.900 0.201 0.000 0.991 487 G CA 0.815 45.971 45.100 0.095 0.000 0.629 487 G HN 0.669 nan 8.290 nan 0.000 0.517 488 Y N -2.662 117.645 120.300 0.013 0.000 2.725 488 Y HA 0.778 5.328 4.550 -0.000 0.000 0.333 488 Y C -0.330 175.578 175.900 0.014 0.000 1.242 488 Y CA -1.271 56.837 58.100 0.014 0.000 1.059 488 Y CB 0.675 39.142 38.460 0.012 0.000 1.306 488 Y HN 0.984 nan 8.280 nan 0.000 0.454 489 A N 1.278 124.164 122.820 0.109 0.000 2.260 489 A HA 0.395 4.715 4.320 -0.000 0.000 0.314 489 A C -0.215 177.403 177.584 0.055 0.000 1.257 489 A CA -0.349 51.688 52.037 -0.001 0.000 0.871 489 A CB -0.495 18.524 19.000 0.032 0.000 1.166 489 A HN 0.960 nan 8.150 nan 0.000 0.522 490 N N 1.634 120.283 118.700 -0.084 0.000 2.203 490 N HA 0.102 4.842 4.740 -0.000 0.000 0.207 490 N C 0.090 175.570 175.510 -0.049 0.000 1.130 490 N CA -0.214 52.839 53.050 0.004 0.000 0.861 490 N CB 0.401 38.874 38.487 -0.025 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 -0.112 0.000 2.372 491 Q HA 0.327 4.667 4.340 -0.000 0.000 0.273 491 Q C -1.707 174.163 176.000 -0.216 0.000 1.078 491 Q CA -0.709 54.992 55.803 -0.171 0.000 0.806 491 Q CB 2.471 31.071 28.738 -0.230 0.000 1.332 491 Q HN 0.102 nan 8.270 nan 0.000 0.435 492 T N 2.333 116.780 114.554 -0.178 0.000 2.876 492 T HA 0.713 5.063 4.350 -0.000 0.000 0.289 492 T C -1.467 173.137 174.700 -0.160 0.000 1.014 492 T CA -0.478 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 0.622 nan 8.240 nan 0.000 0.458 493 R N 3.154 123.562 120.500 -0.154 0.000 2.628 493 R HA 0.602 4.942 4.340 -0.000 0.000 0.288 493 R C -0.888 175.362 176.300 -0.084 0.000 0.980 493 R CA -0.698 55.336 56.100 -0.109 0.000 0.891 493 R CB 1.951 32.195 30.300 -0.093 0.000 1.188 493 R HN 0.520 nan 8.270 nan 0.000 0.450 494 I N 4.948 125.467 120.570 -0.086 0.000 2.307 494 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 494 I C -0.654 175.446 176.117 -0.028 0.000 1.021 494 I CA -0.717 60.529 61.300 -0.091 0.000 1.224 494 I CB 0.595 38.475 38.000 -0.201 0.000 1.376 494 I HN 0.343 nan 8.210 nan 0.000 0.470 495 L N 5.761 127.005 121.223 0.035 0.000 2.334 495 L HA 0.647 4.987 4.340 -0.000 0.000 0.276 495 L C -0.557 176.406 176.870 0.155 0.000 1.014 495 L CA -0.898 53.989 54.840 0.078 0.000 0.815 495 L CB 0.938 43.028 42.059 0.052 0.000 1.268 495 L HN 0.301 nan 8.230 nan 0.000 0.428 496 L N 3.174 124.487 121.223 0.149 0.000 2.349 496 L HA 0.586 4.926 4.340 -0.000 0.000 0.275 496 L C -0.056 176.846 176.870 0.052 0.000 1.115 496 L CA -0.057 54.855 54.840 0.120 0.000 0.820 496 L CB 1.563 43.679 42.059 0.095 0.000 1.135 496 L HN 0.641 nan 8.230 nan 0.000 0.445 497 V N 2.785 122.708 119.914 0.016 0.000 2.439 497 V HA 0.699 4.819 4.120 -0.000 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 4.350 4.350 -0.000 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