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_C 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 0.000 174.600 174.600 0.001 0.000 1.055 1 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 2 Q N 0.606 120.389 119.800 -0.027 0.000 2.224 2 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 2 Q C 1.607 177.622 176.000 0.025 0.000 0.970 2 Q CA 1.785 57.572 55.803 -0.026 0.000 0.865 2 Q CB -0.371 28.324 28.738 -0.072 0.000 0.922 2 Q HN 0.720 nan 8.270 nan 0.000 0.445 3 L N -0.567 120.663 121.223 0.011 0.000 1.994 3 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 3 L C 2.139 179.027 176.870 0.029 0.000 1.071 3 L CA 1.408 56.255 54.840 0.012 0.000 0.745 3 L CB -0.649 41.410 42.059 0.001 0.000 0.892 3 L HN 0.413 nan 8.230 nan 0.000 0.431 4 A N -0.923 121.923 122.820 0.042 0.000 1.877 4 A HA -0.337 3.983 4.320 -0.000 0.000 0.216 4 A C 2.023 179.638 177.584 0.053 0.000 1.186 4 A CA 1.971 54.033 52.037 0.041 0.000 0.620 4 A CB -1.040 17.987 19.000 0.045 0.000 0.822 4 A HN 0.655 nan 8.150 nan 0.000 0.443 5 H N 0.453 119.517 119.070 -0.010 0.000 2.390 5 H HA -0.140 4.416 4.556 -0.000 0.000 0.298 5 H C 1.895 177.214 175.328 -0.015 0.000 1.106 5 H CA 2.063 58.106 56.048 -0.007 0.000 1.297 5 H CB -0.089 29.667 29.762 -0.009 0.000 1.375 5 H HN 0.420 nan 8.280 nan 0.000 0.509 6 N N 0.174 118.878 118.700 0.006 0.000 2.272 6 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 6 N C 1.851 177.308 175.510 -0.089 0.000 1.014 6 N CA 1.101 54.117 53.050 -0.057 0.000 0.870 6 N CB -0.158 38.318 38.487 -0.018 0.000 0.975 6 N HN 0.450 nan 8.380 nan 0.000 0.433 7 L N 0.322 121.505 121.223 -0.067 0.000 2.217 7 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 7 L C 2.181 179.010 176.870 -0.069 0.000 1.107 7 L CA 1.219 56.029 54.840 -0.049 0.000 0.783 7 L CB -0.579 41.466 42.059 -0.023 0.000 0.919 7 L HN 0.264 nan 8.230 nan 0.000 0.442 8 T N -2.482 111.996 114.554 -0.126 0.000 3.100 8 T HA 0.140 4.490 4.350 -0.000 0.000 0.253 8 T C 0.769 175.386 174.700 -0.139 0.000 1.118 8 T CA -0.173 61.851 62.100 -0.127 0.000 1.058 8 T CB -0.313 68.464 68.868 -0.152 0.000 0.953 8 T HN 0.041 nan 8.240 nan 0.000 0.515 9 L N 1.846 122.972 121.223 -0.163 0.000 2.452 9 L HA 0.527 4.867 4.340 -0.000 0.000 0.267 9 L C 0.495 177.348 176.870 -0.028 0.000 1.188 9 L CA -0.546 54.234 54.840 -0.100 0.000 0.821 9 L CB 0.923 42.929 42.059 -0.089 0.000 1.102 9 L HN 0.150 nan 8.230 nan 0.000 0.470 10 S N 0.991 116.696 115.700 0.009 0.000 2.541 10 S HA 0.383 4.853 4.470 -0.000 0.000 0.280 10 S C 0.710 175.346 174.600 0.060 0.000 1.112 10 S CA -0.898 57.329 58.200 0.045 0.000 0.925 10 S CB 1.427 64.671 63.200 0.073 0.000 1.067 10 S HN 0.612 nan 8.310 nan 0.000 0.479 11 I N 1.230 121.831 120.570 0.052 0.000 2.454 11 I HA 0.069 4.239 4.170 -0.000 0.000 0.254 11 I C 0.948 177.062 176.117 -0.005 0.000 1.156 11 I CA 1.630 62.934 61.300 0.007 0.000 1.433 11 I CB -0.266 37.709 38.000 -0.041 0.000 1.082 11 I HN 0.552 nan 8.210 nan 0.000 0.432 12 F N 2.392 122.347 119.950 0.008 0.000 2.773 12 F HA 0.212 4.739 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 -0.777 57.227 58.000 0.007 0.000 1.378 12 F CB -0.575 38.428 39.000 0.004 0.000 1.095 12 F HN 0.087 nan 8.300 nan 0.000 0.565 13 D N 2.630 123.142 120.400 0.187 0.000 2.424 13 D HA 0.087 4.727 4.640 -0.000 0.000 0.244 13 D C -2.004 174.368 176.300 0.119 0.000 1.134 13 D CA -1.159 52.918 54.000 0.129 0.000 0.881 13 D CB 0.231 41.080 40.800 0.082 0.000 1.191 13 D HN 0.084 nan 8.370 nan 0.000 0.445 14 P HA 0.043 nan 4.420 nan 0.000 0.276 14 P C -0.008 177.329 177.300 0.060 0.000 1.230 14 P CA -0.533 62.620 63.100 0.088 0.000 0.776 14 P CB 0.808 32.555 31.700 0.079 0.000 0.888 15 V N 0.647 120.586 119.914 0.042 0.000 3.385 15 V HA 0.644 4.764 4.120 -0.000 0.000 0.301 15 V C 0.451 176.558 176.094 0.022 0.000 1.082 15 V CA -0.709 61.603 62.300 0.021 0.000 1.085 15 V CB -0.179 31.644 31.823 -0.000 0.000 1.152 15 V HN 0.753 nan 8.190 nan 0.000 0.465 16 A N 1.715 124.529 122.820 -0.011 0.000 2.346 16 A HA 0.305 4.625 4.320 -0.000 0.000 0.252 16 A C 1.118 178.731 177.584 0.048 0.000 1.089 16 A CA 0.035 52.070 52.037 -0.004 0.000 0.797 16 A CB -0.321 18.592 19.000 -0.145 0.000 1.047 16 A HN 1.128 nan 8.150 nan 0.000 0.494 17 N N -0.922 117.869 118.700 0.151 0.000 2.461 17 N HA 0.079 4.819 4.740 -0.000 0.000 0.188 17 N C -0.340 175.365 175.510 0.325 0.000 1.134 17 N CA 0.331 53.513 53.050 0.219 0.000 0.878 17 N CB -0.042 38.596 38.487 0.251 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 -1.099 174.813 175.900 0.020 0.000 1.031 18 Y CA -1.626 56.498 58.100 0.039 0.000 1.022 18 Y CB 1.249 39.651 38.460 -0.098 0.000 1.292 18 Y HN -0.228 nan 8.280 nan 0.000 0.459 19 R N 2.769 123.264 120.500 -0.009 0.000 2.265 19 R HA 0.681 5.021 4.340 -0.000 0.000 0.328 19 R C 0.165 176.461 176.300 -0.008 0.000 0.969 19 R CA 0.230 56.273 56.100 -0.095 0.000 0.832 19 R CB 1.433 31.723 30.300 -0.017 0.000 1.139 19 R HN 1.071 nan 8.270 nan 0.000 0.457 20 A N 4.403 127.167 122.820 -0.094 0.000 1.898 20 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 20 A C 0.988 178.593 177.584 0.035 0.000 1.181 20 A CA 1.264 53.326 52.037 0.040 0.000 0.620 20 A CB -0.336 18.674 19.000 0.015 0.000 0.819 20 A HN 0.772 nan 8.150 nan 0.000 0.442 21 A N 0.197 123.017 122.820 -0.000 0.000 2.386 21 A HA 0.532 4.852 4.320 -0.000 0.000 0.248 21 A C 0.296 177.894 177.584 0.023 0.000 1.082 21 A CA -0.369 51.672 52.037 0.006 0.000 0.789 21 A CB 0.209 19.201 19.000 -0.013 0.000 1.025 21 A HN 0.411 nan 8.150 nan 0.000 0.490 22 R N 0.733 121.250 120.500 0.029 0.000 2.589 22 R HA 0.581 4.921 4.340 -0.000 0.000 0.293 22 R C -1.155 175.169 176.300 0.040 0.000 0.963 22 R CA -0.445 55.680 56.100 0.041 0.000 0.905 22 R CB 1.346 31.676 30.300 0.051 0.000 1.144 22 R HN 0.676 nan 8.270 nan 0.000 0.459 23 I N 3.434 124.033 120.570 0.047 0.000 2.377 23 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 23 I C 0.150 176.305 176.117 0.064 0.000 0.987 23 I CA -0.587 60.742 61.300 0.048 0.000 1.185 23 I CB 1.497 39.524 38.000 0.044 0.000 1.341 23 I HN 0.296 nan 8.210 nan 0.000 0.455 24 I N 5.051 125.664 120.570 0.072 0.000 2.404 24 I HA 0.439 4.609 4.170 -0.000 0.000 0.293 24 I C -0.826 175.348 176.117 0.095 0.000 0.992 24 I CA -0.473 60.889 61.300 0.102 0.000 1.149 24 I CB 1.693 39.777 38.000 0.140 0.000 1.315 24 I HN 0.514 nan 8.210 nan 0.000 0.446 25 C N 3.433 122.792 119.300 0.098 0.000 2.408 25 C HA 0.494 4.954 4.460 -0.000 0.000 0.321 25 C C 0.456 175.508 174.990 0.104 0.000 1.245 25 C CA -0.578 58.492 59.018 0.087 0.000 1.523 25 C CB 1.488 29.269 27.740 0.069 0.000 2.178 25 C HN 0.697 nan 8.230 nan 0.000 0.488 26 T N 4.582 119.199 114.554 0.104 0.000 2.817 26 T HA 0.408 4.758 4.350 -0.000 0.000 0.293 26 T C 0.037 174.803 174.700 0.110 0.000 0.964 26 T CA -0.162 62.011 62.100 0.122 0.000 1.085 26 T CB 0.287 69.228 68.868 0.121 0.000 0.921 26 T HN 0.382 nan 8.240 nan 0.000 0.502 27 I N 3.419 124.071 120.570 0.137 0.000 2.312 27 I HA 0.549 4.719 4.170 -0.000 0.000 0.290 27 I C 0.839 177.064 176.117 0.180 0.000 1.008 27 I CA -0.233 61.146 61.300 0.133 0.000 1.226 27 I CB 0.499 38.571 38.000 0.119 0.000 1.371 27 I HN 0.791 nan 8.210 nan 0.000 0.468 28 G N 6.972 115.856 108.800 0.140 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 -2.409 172.579 174.900 0.147 0.000 1.312 28 G CA -0.621 44.571 45.100 0.153 0.000 0.934 28 G HN 0.251 nan 8.290 nan 0.000 0.577 29 P HA -0.014 nan 4.420 nan 0.000 0.217 29 P C 2.055 179.384 177.300 0.049 0.000 1.150 29 P CA 1.547 64.703 63.100 0.092 0.000 0.832 29 P CB 0.154 31.874 31.700 0.033 0.000 0.787 30 S N -1.158 114.558 115.700 0.026 0.000 2.419 30 S HA -0.081 4.389 4.470 -0.000 0.000 0.233 30 S C 1.450 176.061 174.600 0.017 0.000 1.016 30 S CA 1.865 60.071 58.200 0.009 0.000 0.974 30 S CB -0.920 62.276 63.200 -0.007 0.000 0.786 30 S HN 0.375 nan 8.310 nan 0.000 0.492 31 T N -1.632 112.942 114.554 0.034 0.000 3.091 31 T HA 0.300 4.650 4.350 -0.000 0.000 0.277 31 T C 1.106 175.821 174.700 0.025 0.000 0.996 31 T CA -0.359 61.759 62.100 0.031 0.000 0.897 31 T CB 0.230 69.121 68.868 0.038 0.000 1.109 31 T HN 0.177 nan 8.240 nan 0.000 0.534 32 Q N 2.241 122.053 119.800 0.019 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 -0.032 0.000 0.970 32 Q CA 0.797 56.586 55.803 -0.023 0.000 0.855 32 Q CB 0.021 28.716 28.738 -0.072 0.000 0.911 32 Q HN 0.669 nan 8.270 nan 0.000 0.438 33 S N -1.076 114.615 115.700 -0.016 0.000 2.572 33 S HA 0.037 4.507 4.470 -0.000 0.000 0.279 33 S C 1.241 175.835 174.600 -0.009 0.000 1.341 33 S CA -0.508 57.683 58.200 -0.015 0.000 1.043 33 S CB 1.482 64.678 63.200 -0.007 0.000 0.887 33 S HN 0.113 nan 8.310 nan 0.000 0.516 34 V N 2.262 122.170 119.914 -0.011 0.000 2.392 34 V HA -0.118 4.002 4.120 -0.000 0.000 0.249 34 V C 2.787 178.882 176.094 0.001 0.000 1.059 34 V CA 2.378 64.675 62.300 -0.005 0.000 1.051 34 V CB -1.161 30.658 31.823 -0.007 0.000 0.658 34 V HN 0.957 nan 8.190 nan 0.000 0.455 35 E N 0.318 120.518 120.200 0.001 0.000 2.077 35 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 35 E C 2.219 178.824 176.600 0.009 0.000 0.989 35 E CA 1.510 57.913 56.400 0.005 0.000 0.800 35 E CB -0.531 29.172 29.700 0.004 0.000 0.746 35 E HN 0.547 nan 8.360 nan 0.000 0.452 36 A N 0.181 123.006 122.820 0.008 0.000 1.902 36 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 36 A C 2.263 179.858 177.584 0.018 0.000 1.181 36 A CA 1.246 53.291 52.037 0.013 0.000 0.623 36 A CB -0.683 18.324 19.000 0.011 0.000 0.818 36 A HN 0.295 nan 8.150 nan 0.000 0.443 37 L N -1.182 120.050 121.223 0.015 0.000 2.083 37 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 37 L C 2.594 179.476 176.870 0.020 0.000 1.083 37 L CA 1.711 56.562 54.840 0.019 0.000 0.752 37 L CB -0.354 41.713 42.059 0.013 0.000 0.899 37 L HN 0.323 nan 8.230 nan 0.000 0.433 38 K N -0.026 120.384 120.400 0.017 0.000 2.097 38 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 38 K C 2.054 178.667 176.600 0.022 0.000 1.049 38 K CA 1.276 57.574 56.287 0.018 0.000 0.933 38 K CB -0.423 32.086 32.500 0.014 0.000 0.717 38 K HN 0.349 nan 8.250 nan 0.000 0.442 39 G N 0.496 109.310 108.800 0.023 0.000 2.418 39 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 39 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 39 G C 1.298 176.217 174.900 0.032 0.000 1.158 39 G CA 0.509 45.625 45.100 0.027 0.000 0.771 39 G HN 0.092 nan 8.290 nan 0.000 0.545 40 L N 0.469 121.712 121.223 0.033 0.000 2.046 40 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 40 L C 2.788 179.682 176.870 0.039 0.000 1.077 40 L CA 1.080 55.943 54.840 0.038 0.000 0.747 40 L CB -0.519 41.563 42.059 0.039 0.000 0.896 40 L HN 0.204 nan 8.230 nan 0.000 0.432 41 I N -1.250 119.342 120.570 0.036 0.000 2.226 41 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 41 I C 2.452 178.592 176.117 0.039 0.000 1.100 41 I CA 1.144 62.467 61.300 0.037 0.000 1.374 41 I CB -0.203 37.817 38.000 0.033 0.000 1.057 41 I HN 0.368 nan 8.210 nan 0.000 0.413 42 Q N -0.238 119.583 119.800 0.034 0.000 2.167 42 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 42 Q C 2.305 178.324 176.000 0.032 0.000 0.970 42 Q CA 1.500 57.323 55.803 0.032 0.000 0.855 42 Q CB -0.085 28.669 28.738 0.027 0.000 0.911 42 Q HN 0.406 nan 8.270 nan 0.000 0.438 43 S N -1.063 114.657 115.700 0.034 0.000 2.453 43 S HA 0.032 4.502 4.470 -0.000 0.000 0.231 43 S C 1.167 175.789 174.600 0.036 0.000 1.005 43 S CA 0.909 59.130 58.200 0.034 0.000 0.949 43 S CB 0.398 63.623 63.200 0.040 0.000 0.774 43 S HN 0.656 nan 8.310 nan 0.000 0.510 44 G N 1.071 109.895 108.800 0.041 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 -0.045 174.884 174.900 0.049 0.000 1.021 44 G CA -0.203 44.924 45.100 0.045 0.000 0.720 44 G HN 0.408 nan 8.290 nan 0.000 0.494 45 M N 1.351 120.981 119.600 0.049 0.000 2.188 45 M HA 0.599 5.079 4.480 -0.000 0.000 0.354 45 M C 0.939 177.271 176.300 0.054 0.000 1.342 45 M CA 0.428 55.760 55.300 0.052 0.000 1.117 45 M CB 0.998 33.629 32.600 0.051 0.000 1.670 45 M HN -0.031 nan 8.290 nan 0.000 0.466 46 S N 3.313 119.049 115.700 0.059 0.000 2.506 46 S HA 0.232 4.702 4.470 -0.000 0.000 0.219 46 S C -0.049 174.585 174.600 0.057 0.000 1.031 46 S CA -0.317 57.918 58.200 0.058 0.000 0.911 46 S CB 0.498 63.735 63.200 0.062 0.000 0.812 46 S HN 0.642 nan 8.310 nan 0.000 0.497 47 V N 1.628 121.582 119.914 0.068 0.000 2.638 47 V HA 0.779 4.899 4.120 -0.000 0.000 0.306 47 V C -0.667 175.470 176.094 0.072 0.000 1.052 47 V CA -1.128 61.215 62.300 0.072 0.000 0.885 47 V CB 1.458 33.350 31.823 0.114 0.000 0.999 47 V HN 0.259 nan 8.190 nan 0.000 0.424 48 A N 4.589 127.437 122.820 0.048 0.000 2.276 48 A HA 0.802 5.122 4.320 -0.000 0.000 0.316 48 A C -0.139 177.471 177.584 0.043 0.000 1.229 48 A CA -0.618 51.452 52.037 0.055 0.000 0.851 48 A CB 0.709 19.737 19.000 0.046 0.000 1.165 48 A HN 0.867 nan 8.150 nan 0.000 0.513 49 R N 3.290 123.841 120.500 0.085 0.000 2.338 49 R HA 0.634 4.974 4.340 -0.000 0.000 0.317 49 R C -1.060 175.314 176.300 0.123 0.000 0.968 49 R CA -0.385 55.766 56.100 0.085 0.000 0.849 49 R CB 0.752 31.177 30.300 0.209 0.000 1.128 49 R HN 0.783 nan 8.270 nan 0.000 0.448 50 M N 3.547 123.209 119.600 0.104 0.000 2.205 50 M HA 0.254 4.734 4.480 -0.000 0.000 0.344 50 M C -0.411 175.987 176.300 0.163 0.000 1.085 50 M CA -0.855 54.542 55.300 0.162 0.000 1.001 50 M CB 1.671 34.355 32.600 0.141 0.000 1.626 50 M HN 0.409 nan 8.290 nan 0.000 0.442 51 N N 2.150 120.993 118.700 0.238 0.000 2.426 51 N HA 0.259 4.999 4.740 -0.000 0.000 0.257 51 N C -0.573 175.087 175.510 0.251 0.000 1.002 51 N CA -0.247 52.965 53.050 0.270 0.000 0.942 51 N CB 0.566 39.250 38.487 0.329 0.000 1.112 51 N HN 0.508 nan 8.380 nan 0.000 0.499 52 F N 1.210 121.136 119.950 -0.040 0.000 2.811 52 F HA 0.129 4.656 4.527 0.000 0.000 0.301 52 F C 2.067 177.878 175.800 0.018 0.000 1.151 52 F CA 0.161 58.154 58.000 -0.010 0.000 1.412 52 F CB 0.077 39.038 39.000 -0.064 0.000 1.113 52 F HN 0.459 nan 8.300 nan 0.000 0.579 53 S N -1.660 114.064 115.700 0.041 0.000 2.481 53 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 53 S C 0.145 174.478 174.600 -0.446 0.000 0.996 53 S CA 0.682 58.735 58.200 -0.246 0.000 0.942 53 S CB -0.402 62.549 63.200 -0.415 0.000 0.768 53 S HN 0.392 nan 8.310 nan 0.000 0.520 54 H N -1.140 117.974 119.070 0.072 0.000 2.797 54 H HA 0.608 5.164 4.556 0.000 0.000 0.372 54 H C 0.668 175.946 175.328 -0.083 0.000 1.168 54 H CA -0.085 55.948 56.048 -0.024 0.000 1.163 54 H CB 1.368 31.108 29.762 -0.036 0.000 1.778 54 H HN 0.217 nan 8.280 nan 0.000 0.551 55 G N 0.625 109.321 108.800 -0.174 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 -0.489 174.260 174.900 -0.251 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 -3.294 112.250 115.700 -0.260 0.000 2.672 56 S HA 0.649 5.119 4.470 -0.000 0.000 0.271 56 S C 0.530 175.087 174.600 -0.072 0.000 1.171 56 S CA 0.322 58.446 58.200 -0.127 0.000 0.817 56 S CB 1.252 64.389 63.200 -0.104 0.000 1.150 56 S HN 0.929 nan 8.310 nan 0.000 0.478 57 H N 0.186 119.100 119.070 -0.261 0.000 2.387 57 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 57 H C 1.946 177.175 175.328 -0.164 0.000 1.090 57 H CA 1.570 57.347 56.048 -0.452 0.000 1.332 57 H CB 0.107 29.512 29.762 -0.595 0.000 1.386 57 H HN 0.696 nan 8.280 nan 0.000 0.516 58 E N 0.566 120.802 120.200 0.059 0.000 2.058 58 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 58 E C 1.973 178.599 176.600 0.043 0.000 0.997 58 E CA 1.150 57.591 56.400 0.068 0.000 0.801 58 E CB -0.125 29.601 29.700 0.043 0.000 0.746 58 E HN 0.460 nan 8.360 nan 0.000 0.450 59 Y N 0.795 121.008 120.300 -0.145 0.000 2.145 59 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 59 Y C 2.336 178.116 175.900 -0.200 0.000 1.145 59 Y CA 1.958 59.926 58.100 -0.219 0.000 1.148 59 Y CB -0.209 38.026 38.460 -0.375 0.000 0.981 59 Y HN 0.186 nan 8.280 nan 0.000 0.507 60 H N -0.703 118.385 119.070 0.029 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 1.583 57.638 56.048 0.011 0.000 1.342 60 H CB -0.281 29.418 29.762 -0.106 0.000 1.395 60 H HN 0.401 nan 8.280 nan 0.000 0.530 61 Q N 0.718 120.667 119.800 0.248 0.000 2.084 61 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 61 Q C 2.075 178.116 176.000 0.068 0.000 0.978 61 Q CA 1.971 57.916 55.803 0.235 0.000 0.844 61 Q CB -0.226 28.674 28.738 0.269 0.000 0.898 61 Q HN 0.299 nan 8.270 nan 0.000 0.426 62 T N -0.418 114.114 114.554 -0.037 0.000 2.746 62 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 62 T C 1.717 176.354 174.700 -0.105 0.000 1.039 62 T CA 1.701 63.738 62.100 -0.105 0.000 1.142 62 T CB -0.579 68.158 68.868 -0.220 0.000 0.866 62 T HN 0.374 nan 8.240 nan 0.000 0.444 63 T N 1.942 116.421 114.554 -0.124 0.000 2.746 63 T HA 0.038 4.388 4.350 -0.000 0.000 0.267 63 T C 1.968 176.674 174.700 0.009 0.000 1.039 63 T CA 0.855 62.922 62.100 -0.056 0.000 1.142 63 T CB -0.393 68.482 68.868 0.011 0.000 0.866 63 T HN 0.321 nan 8.240 nan 0.000 0.444 64 I N 1.516 122.113 120.570 0.046 0.000 2.179 64 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 64 I C 2.341 178.461 176.117 0.005 0.000 1.088 64 I CA 0.989 62.311 61.300 0.036 0.000 1.357 64 I CB -0.325 37.705 38.000 0.050 0.000 1.051 64 I HN 0.174 nan 8.210 nan 0.000 0.409 65 N N 1.036 119.736 118.700 0.001 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 -0.015 0.000 1.023 65 N CA 1.255 54.299 53.050 -0.010 0.000 0.852 65 N CB -0.690 37.791 38.487 -0.009 0.000 0.998 65 N HN 0.316 nan 8.380 nan 0.000 0.424 66 N N 0.415 119.103 118.700 -0.020 0.000 2.166 66 N HA -0.065 4.675 4.740 -0.000 0.000 0.186 66 N C 1.785 177.289 175.510 -0.010 0.000 1.019 66 N CA 0.431 53.469 53.050 -0.020 0.000 0.856 66 N CB -0.497 37.971 38.487 -0.033 0.000 0.993 66 N HN 0.041 nan 8.380 nan 0.000 0.426 67 V N 0.989 120.900 119.914 -0.005 0.000 2.307 67 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 67 V C 2.272 178.363 176.094 -0.005 0.000 1.045 67 V CA 1.500 63.800 62.300 0.001 0.000 1.024 67 V CB -0.351 31.476 31.823 0.008 0.000 0.651 67 V HN 0.219 nan 8.190 nan 0.000 0.449 68 R N -0.441 120.052 120.500 -0.011 0.000 2.081 68 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 68 R C 2.464 178.755 176.300 -0.015 0.000 1.131 68 R CA 1.741 57.830 56.100 -0.018 0.000 0.960 68 R CB -0.348 29.937 30.300 -0.025 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 2.000 177.997 176.000 -0.005 0.000 0.978 69 Q CA 1.641 57.438 55.803 -0.010 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 0.692 123.510 122.820 -0.003 0.000 1.902 70 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 70 A C 2.255 179.843 177.584 0.005 0.000 1.181 70 A CA 1.622 53.661 52.037 0.002 0.000 0.623 70 A CB -0.877 18.126 19.000 0.005 0.000 0.818 70 A HN 0.537 nan 8.150 nan 0.000 0.443 71 A N -0.134 122.688 122.820 0.003 0.000 1.902 71 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 71 A C 2.496 180.081 177.584 0.002 0.000 1.181 71 A CA 2.037 54.076 52.037 0.005 0.000 0.623 71 A CB -0.984 18.015 19.000 -0.001 0.000 0.818 71 A HN 1.037 nan 8.150 nan 0.000 0.443 72 A N -0.333 122.484 122.820 -0.004 0.000 1.902 72 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 72 A C 1.904 179.489 177.584 0.001 0.000 1.181 72 A CA 1.699 53.733 52.037 -0.006 0.000 0.623 72 A CB -0.521 18.472 19.000 -0.012 0.000 0.818 72 A HN 0.616 nan 8.150 nan 0.000 0.443 73 E N -0.743 119.459 120.200 0.003 0.000 2.204 73 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 73 E C 1.246 177.853 176.600 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 29.613 29.700 0.005 0.000 0.750 73 E HN 0.598 nan 8.360 nan 0.000 0.477 74 L N -0.834 120.397 121.223 0.014 0.000 2.693 74 L HA 0.237 4.577 4.340 -0.000 0.000 0.235 74 L C 0.870 177.756 176.870 0.027 0.000 1.127 74 L CA -0.006 54.846 54.840 0.020 0.000 0.914 74 L CB 0.573 42.646 42.059 0.022 0.000 1.193 74 L HN 0.169 nan 8.230 nan 0.000 0.502 75 G N 1.690 110.505 108.800 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 0.508 45.626 45.100 0.031 0.000 1.004 75 G HN 0.285 nan 8.290 nan 0.000 0.509 76 V N -3.846 116.087 119.914 0.031 0.000 3.130 76 V HA 0.788 4.908 4.120 -0.000 0.000 0.310 76 V C -0.335 175.768 176.094 0.016 0.000 1.158 76 V CA -1.959 60.363 62.300 0.037 0.000 1.029 76 V CB 2.248 34.098 31.823 0.045 0.000 1.057 76 V HN 0.160 nan 8.190 nan 0.000 0.436 77 N N 2.139 120.848 118.700 0.016 0.000 2.424 77 N HA 0.596 5.336 4.740 -0.000 0.000 0.271 77 N C -1.380 174.133 175.510 0.006 0.000 0.985 77 N CA -0.326 52.721 53.050 -0.006 0.000 0.921 77 N CB 1.993 40.469 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 -0.000 0.000 2.406 78 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 78 I C 0.575 176.691 176.117 -0.001 0.000 0.999 78 I CA -1.068 60.237 61.300 0.009 0.000 1.124 78 I CB 1.087 39.095 38.000 0.013 0.000 1.289 78 I HN 0.378 nan 8.210 nan 0.000 0.441 79 A N 7.586 130.409 122.820 0.005 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 -0.021 0.000 1.075 79 A CA 0.008 52.040 52.037 -0.008 0.000 0.777 79 A CB 0.206 19.209 19.000 0.006 0.000 1.013 79 A HN 0.648 nan 8.150 nan 0.000 0.493 80 I N 1.427 121.968 120.570 -0.048 0.000 2.406 80 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 80 I C 0.400 176.434 176.117 -0.138 0.000 0.999 80 I CA -0.131 61.130 61.300 -0.064 0.000 1.124 80 I CB 1.843 39.815 38.000 -0.047 0.000 1.289 80 I HN 0.704 nan 8.210 nan 0.000 0.441 81 A N 7.360 130.055 122.820 -0.208 0.000 2.342 81 A HA 0.710 5.030 4.320 -0.000 0.000 0.323 81 A C -1.078 176.280 177.584 -0.376 0.000 1.125 81 A CA -0.525 51.239 52.037 -0.455 0.000 0.785 81 A CB 1.318 19.770 19.000 -0.913 0.000 1.221 81 A HN 0.753 nan 8.150 nan 0.000 0.463 82 L N 2.472 123.466 121.223 -0.382 0.000 2.280 82 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 82 L C -0.929 175.779 176.870 -0.269 0.000 1.023 82 L CA -0.524 54.130 54.840 -0.310 0.000 0.819 82 L CB 0.967 42.792 42.059 -0.389 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 -0.104 0.000 2.456 83 D HA 0.125 4.765 4.640 -0.000 0.000 0.219 83 D C 0.009 176.361 176.300 0.088 0.000 1.126 83 D CA -0.152 53.895 54.000 0.079 0.000 0.890 83 D CB 1.091 42.019 40.800 0.214 0.000 1.025 83 D HN 0.615 nan 8.370 nan 0.000 0.511 84 T N 0.595 115.168 114.554 0.031 0.000 2.900 84 T HA 0.044 4.394 4.350 -0.000 0.000 0.307 84 T C 1.322 176.080 174.700 0.097 0.000 1.065 84 T CA -0.375 61.749 62.100 0.039 0.000 1.105 84 T CB 1.950 70.821 68.868 0.005 0.000 0.979 84 T HN 0.356 nan 8.240 nan 0.000 0.544 85 K N 1.934 122.400 120.400 0.110 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 0.021 0.000 1.049 85 K CA 1.094 57.410 56.287 0.048 0.000 0.933 85 K CB -1.004 31.521 32.500 0.042 0.000 0.714 85 K HN 1.191 nan 8.250 nan 0.000 0.438 86 G N 0.862 109.686 108.800 0.040 0.000 2.795 86 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.664 86 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.664 86 G C -2.707 172.200 174.900 0.012 0.000 1.381 86 G CA -0.466 44.660 45.100 0.043 0.000 0.853 86 G HN 0.218 nan 8.290 nan 0.000 0.545 87 P HA 0.317 nan 4.420 nan 0.000 0.271 87 P C -0.288 176.946 177.300 -0.111 0.000 1.216 87 P CA 0.518 63.619 63.100 0.001 0.000 0.771 87 P CB 0.857 32.601 31.700 0.075 0.000 0.864 88 E N 1.925 122.065 120.200 -0.101 0.000 2.288 88 E HA 0.508 4.858 4.350 -0.000 0.000 0.268 88 E C -0.444 176.091 176.600 -0.109 0.000 0.885 88 E CA -0.880 55.435 56.400 -0.141 0.000 0.767 88 E CB 1.934 31.580 29.700 -0.090 0.000 1.220 88 E HN 0.375 nan 8.360 nan 0.000 0.427 89 I N 2.612 123.104 120.570 -0.129 0.000 2.336 89 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 89 I C 0.075 176.182 176.117 -0.017 0.000 0.991 89 I CA -0.465 60.792 61.300 -0.071 0.000 1.227 89 I CB 0.795 38.740 38.000 -0.092 0.000 1.366 89 I HN 0.225 nan 8.210 nan 0.000 0.466 90 R N 3.136 123.644 120.500 0.013 0.000 2.795 90 R HA 0.468 4.808 4.340 -0.000 0.000 0.275 90 R C -0.316 176.021 176.300 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 0.726 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 0.291 4.641 4.350 -0.000 0.000 0.295 91 T C 0.920 175.691 174.700 0.119 0.000 1.024 91 T CA -0.324 61.877 62.100 0.168 0.000 1.018 91 T CB 1.031 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 -0.015 108.877 108.800 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 -0.382 174.364 174.900 -0.257 0.000 1.451 92 G CA -0.889 44.275 45.100 0.106 0.000 1.059 92 G HN 0.876 nan 8.290 nan 0.000 0.550 93 Q N -0.807 118.846 119.800 -0.245 0.000 2.260 93 Q HA 0.425 4.765 4.340 -0.000 0.000 0.242 93 Q C -1.344 174.348 176.000 -0.514 0.000 0.932 93 Q CA 0.017 55.649 55.803 -0.285 0.000 0.891 93 Q CB 1.593 30.271 28.738 -0.099 0.000 1.222 93 Q HN 0.339 nan 8.270 nan 0.000 0.453 94 F N -0.303 119.667 119.950 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 56.821 58.000 0.026 0.000 0.995 94 F CB 0.959 39.936 39.000 -0.039 0.000 1.170 94 F HN 0.173 nan 8.300 nan 0.000 0.478 95 V N 2.049 122.094 119.914 0.218 0.000 2.673 95 V HA 0.299 4.419 4.120 -0.000 0.000 0.303 95 V C 0.969 177.127 176.094 0.107 0.000 1.046 95 V CA 1.050 63.425 62.300 0.126 0.000 1.126 95 V CB 0.368 32.256 31.823 0.109 0.000 0.934 95 V HN 1.072 nan 8.190 nan 0.000 0.487 96 G N 3.580 112.421 108.800 0.068 0.000 2.155 96 G HA2 -0.052 3.908 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 1.192 176.122 174.900 0.050 0.000 0.983 96 G CA 0.692 45.820 45.100 0.047 0.000 0.676 96 G HN 2.264 nan 8.290 nan 0.000 0.528 97 G N -1.118 107.728 108.800 0.076 0.000 2.284 97 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.261 97 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.261 97 G C 0.152 175.118 174.900 0.111 0.000 0.997 97 G CA 1.351 46.499 45.100 0.081 0.000 0.621 97 G HN 1.739 nan 8.290 nan 0.000 0.534 98 D N -0.720 119.730 120.400 0.084 0.000 2.579 98 D HA 0.808 5.448 4.640 -0.000 0.000 0.257 98 D C -0.563 175.644 176.300 -0.154 0.000 1.176 98 D CA 0.547 54.529 54.000 -0.030 0.000 0.914 98 D CB 1.508 42.271 40.800 -0.062 0.000 1.431 98 D HN 1.171 nan 8.370 nan 0.000 0.454 99 A N 1.005 123.572 122.820 -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 -0.492 0.000 0.761 99 A CB 1.326 19.784 19.000 -0.903 0.000 1.289 99 A HN 0.330 nan 8.150 nan 0.000 0.401 100 V N 4.623 124.387 119.914 -0.249 0.000 2.322 100 V HA 0.233 4.353 4.120 -0.000 0.000 0.258 100 V C -0.041 175.969 176.094 -0.141 0.000 1.074 100 V CA -0.136 62.055 62.300 -0.182 0.000 0.909 100 V CB 0.475 32.231 31.823 -0.112 0.000 1.090 100 V HN 0.819 nan 8.190 nan 0.000 0.486 101 M N 4.721 124.230 119.600 -0.152 0.000 2.108 101 M HA 0.393 4.873 4.480 -0.000 0.000 0.347 101 M C 0.277 176.558 176.300 -0.031 0.000 1.326 101 M CA 0.224 55.475 55.300 -0.081 0.000 1.126 101 M CB 0.374 32.928 32.600 -0.076 0.000 1.606 101 M HN 0.578 nan 8.290 nan 0.000 0.462 102 E N 2.230 122.421 120.200 -0.014 0.000 2.248 102 E HA 0.390 4.740 4.350 -0.000 0.000 0.272 102 E C -0.187 176.417 176.600 0.007 0.000 1.008 102 E CA -0.895 55.503 56.400 -0.003 0.000 0.856 102 E CB 2.018 31.715 29.700 -0.004 0.000 1.120 102 E HN 0.458 nan 8.360 nan 0.000 0.397 103 R N 0.537 121.042 120.500 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 1.334 57.440 56.100 0.011 0.000 1.057 103 R CB 0.044 30.348 30.300 0.007 0.000 0.973 103 R HN 0.857 nan 8.270 nan 0.000 0.438 104 G N 2.180 110.987 108.800 0.012 0.000 2.268 104 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.240 104 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.240 104 G C 0.180 175.082 174.900 0.004 0.000 1.010 104 G CA 0.118 45.223 45.100 0.008 0.000 0.618 104 G HN 0.972 nan 8.290 nan 0.000 0.516 105 A N 0.389 123.212 122.820 0.006 0.000 2.466 105 A HA 0.583 4.903 4.320 -0.000 0.000 0.238 105 A C 0.697 178.272 177.584 -0.015 0.000 1.074 105 A CA 1.501 53.541 52.037 0.004 0.000 0.774 105 A CB 0.222 19.230 19.000 0.012 0.000 1.015 105 A HN 0.848 nan 8.150 nan 0.000 0.498 106 T N 1.197 115.734 114.554 -0.027 0.000 2.799 106 T HA 0.507 4.857 4.350 -0.000 0.000 0.286 106 T C 0.068 174.700 174.700 -0.113 0.000 0.973 106 T CA 0.119 62.158 62.100 -0.102 0.000 1.035 106 T CB 0.165 68.969 68.868 -0.108 0.000 0.932 106 T HN 1.184 nan 8.240 nan 0.000 0.469 107 C N 2.547 121.717 119.300 -0.217 0.000 3.154 107 C HA 0.858 5.318 4.460 -0.000 0.000 0.312 107 C C -1.748 172.969 174.990 -0.455 0.000 1.349 107 C CA -1.228 57.703 59.018 -0.146 0.000 1.518 107 C CB 0.321 28.123 27.740 0.103 0.000 1.934 107 C HN 0.804 nan 8.230 nan 0.000 0.462 108 Y N 0.877 121.150 120.300 -0.045 0.000 2.350 108 Y HA 0.592 5.142 4.550 -0.000 0.000 0.338 108 Y C 0.299 176.008 175.900 -0.319 0.000 0.961 108 Y CA -0.689 57.323 58.100 -0.147 0.000 1.100 108 Y CB 2.064 40.443 38.460 -0.136 0.000 1.179 108 Y HN 0.826 nan 8.280 nan 0.000 0.454 109 V N 0.498 120.249 119.914 -0.271 0.000 2.417 109 V HA 0.837 4.956 4.120 -0.000 0.000 0.291 109 V C -0.485 175.452 176.094 -0.262 0.000 1.024 109 V CA -0.274 61.734 62.300 -0.487 0.000 0.861 109 V CB 1.432 32.940 31.823 -0.524 0.000 0.985 109 V HN 0.772 nan 8.190 nan 0.000 0.436 110 T N 2.571 116.980 114.554 -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 1.870 70.637 68.868 -0.168 0.000 1.084 110 T HN 1.162 nan 8.240 nan 0.000 0.483 111 T N 0.019 114.576 114.554 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 -0.370 61.769 62.100 0.066 0.000 0.944 111 T CB -0.150 68.698 68.868 -0.034 0.000 1.016 111 T HN 0.524 nan 8.240 nan 0.000 0.544 112 D N 3.706 124.261 120.400 0.259 0.000 2.412 112 D HA 0.095 4.735 4.640 -0.000 0.000 0.257 112 D C -1.029 175.447 176.300 0.294 0.000 1.217 112 D CA -2.168 51.988 54.000 0.261 0.000 0.897 112 D CB 1.522 42.471 40.800 0.247 0.000 1.132 112 D HN 0.105 nan 8.370 nan 0.000 0.493 113 P HA -0.080 nan 4.420 nan 0.000 0.223 113 P C 1.088 178.265 177.300 -0.206 0.000 1.151 113 P CA 0.577 63.592 63.100 -0.143 0.000 0.787 113 P CB 0.078 31.757 31.700 -0.036 0.000 0.788 114 A N -0.344 122.438 122.820 -0.063 0.000 2.054 114 A HA -0.187 4.133 4.320 -0.000 0.000 0.223 114 A C 1.638 179.006 177.584 -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 0.193 nan 8.150 nan 0.000 0.462 115 F N -1.152 118.704 119.950 -0.157 0.000 2.693 115 F HA 0.343 4.870 4.527 -0.000 0.000 0.303 115 F C 2.194 177.882 175.800 -0.186 0.000 1.097 115 F CA 0.233 58.174 58.000 -0.100 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 -0.347 0.000 2.015 116 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 116 A C 1.474 178.966 177.584 -0.153 0.000 1.163 116 A CA 1.931 53.720 52.037 -0.414 0.000 0.646 116 A CB -0.498 18.134 19.000 -0.614 0.000 0.806 116 A HN 0.391 nan 8.150 nan 0.000 0.448 117 D N -1.460 118.859 120.400 -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 0.045 53.992 54.000 -0.088 0.000 0.828 117 D CB -0.248 40.499 40.800 -0.088 0.000 1.035 117 D HN 0.541 nan 8.370 nan 0.000 0.495 118 K N -0.383 120.005 120.400 -0.020 0.000 3.147 118 K HA 0.383 4.703 4.320 -0.000 0.000 0.190 118 K C 0.434 177.159 176.600 0.209 0.000 1.094 118 K CA -0.741 55.573 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 1.113 110.035 108.800 0.204 0.000 2.667 119 G HA2 0.403 4.363 3.960 -0.000 0.000 0.250 119 G HA3 0.403 4.363 3.960 -0.000 0.000 0.250 119 G C -0.149 175.023 174.900 0.453 0.000 1.212 119 G CA 0.350 45.674 45.100 0.375 0.000 0.874 119 G HN 0.420 nan 8.290 nan 0.000 0.561 120 T N -3.222 111.656 114.554 0.539 0.000 2.762 120 T HA 0.390 4.740 4.350 -0.000 0.000 0.301 120 T C 1.083 175.985 174.700 0.337 0.000 1.299 120 T CA -0.161 62.164 62.100 0.375 0.000 1.005 120 T CB 1.580 70.597 68.868 0.248 0.000 1.377 120 T HN 0.636 nan 8.240 nan 0.000 0.504 121 K N 0.226 120.707 120.400 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 -0.383 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 0.931 121.474 120.400 0.238 0.000 2.123 122 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 122 D C 0.280 176.773 176.300 0.323 0.000 0.976 122 D CA 1.183 55.334 54.000 0.252 0.000 0.831 122 D CB 0.205 41.126 40.800 0.203 0.000 0.974 122 D HN 0.282 nan 8.370 nan 0.000 0.469 123 K N -0.306 120.299 120.400 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 55.862 56.287 0.243 0.000 0.822 123 K CB 1.175 33.687 32.500 0.019 0.000 1.286 123 K HN -0.064 nan 8.250 nan 0.000 0.439 124 F N 0.928 120.980 119.950 0.170 0.000 2.715 124 F HA 0.542 5.069 4.527 0.000 0.000 0.318 124 F C -1.775 174.137 175.800 0.187 0.000 1.141 124 F CA -1.317 56.810 58.000 0.212 0.000 0.950 124 F CB 0.605 39.803 39.000 0.330 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 0.740 5.290 4.550 -0.000 0.000 0.331 125 Y C -1.042 174.937 175.900 0.132 0.000 1.092 125 Y CA -1.360 56.793 58.100 0.088 0.000 1.150 125 Y CB 1.049 39.584 38.460 0.125 0.000 1.200 125 Y HN 0.610 nan 8.280 nan 0.000 0.472 126 I N 5.729 126.049 120.570 -0.417 0.000 2.433 126 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 126 I C -0.223 175.407 176.117 -0.811 0.000 1.001 126 I CA -0.708 60.364 61.300 -0.380 0.000 1.119 126 I CB 1.772 39.687 38.000 -0.140 0.000 1.289 126 I HN 0.704 nan 8.210 nan 0.000 0.438 127 D N 4.827 124.884 120.400 -0.573 0.000 2.319 127 D HA -0.139 4.501 4.640 -0.000 0.000 0.230 127 D C -0.074 176.187 176.300 -0.066 0.000 1.094 127 D CA 0.087 53.805 54.000 -0.469 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 2.071 122.262 120.300 -0.182 0.000 2.518 128 Y HA 0.251 4.801 4.550 -0.000 0.000 0.344 128 Y C 1.023 176.889 175.900 -0.057 0.000 0.982 128 Y CA -1.113 56.944 58.100 -0.070 0.000 1.234 128 Y CB 0.974 39.409 38.460 -0.042 0.000 1.114 128 Y HN -0.217 nan 8.280 nan 0.000 0.515 129 Q N 3.057 122.810 119.800 -0.079 0.000 2.291 129 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 129 Q C 0.588 176.400 176.000 -0.314 0.000 0.976 129 Q CA 1.005 56.723 55.803 -0.142 0.000 0.875 129 Q CB 0.086 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 0.550 118.850 118.700 -0.667 0.000 2.370 130 N HA -0.022 4.718 4.740 -0.000 0.000 0.198 130 N C 1.405 176.466 175.510 -0.749 0.000 1.156 130 N CA -0.050 52.594 53.050 -0.676 0.000 0.839 130 N CB 0.068 38.203 38.487 -0.587 0.000 0.989 130 N HN 0.125 nan 8.380 nan 0.000 0.468 131 L N 0.701 121.506 121.223 -0.696 0.000 1.997 131 L HA -0.210 4.130 4.340 -0.000 0.000 0.216 131 L C 1.960 178.755 176.870 -0.126 0.000 1.074 131 L CA 1.774 56.431 54.840 -0.304 0.000 0.763 131 L CB -0.873 41.109 42.059 -0.128 0.000 0.890 131 L HN 0.045 nan 8.230 nan 0.000 0.434 132 S N -0.757 114.888 115.700 -0.091 0.000 2.382 132 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 132 S C 1.808 176.428 174.600 0.033 0.000 1.027 132 S CA 1.440 59.666 58.200 0.044 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 0.542 120.899 120.400 -0.070 0.000 2.211 133 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 133 K C 1.719 178.308 176.600 -0.019 0.000 1.050 133 K CA 0.824 57.072 56.287 -0.065 0.000 0.945 133 K CB -0.096 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 0.966 120.872 119.914 -0.013 0.000 2.992 134 V HA -0.010 4.110 4.120 -0.000 0.000 0.250 134 V C 0.787 176.906 176.094 0.042 0.000 1.090 134 V CA 0.513 62.835 62.300 0.037 0.000 1.101 134 V CB 0.599 32.487 31.823 0.109 0.000 0.743 134 V HN -0.054 nan 8.190 nan 0.000 0.468 135 V N 0.661 120.602 119.914 0.045 0.000 2.713 135 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 135 V C 0.027 176.142 176.094 0.035 0.000 1.052 135 V CA -0.651 61.661 62.300 0.020 0.000 0.967 135 V CB 1.724 33.541 31.823 -0.010 0.000 1.019 135 V HN 0.360 nan 8.190 nan 0.000 0.459 136 R N 2.639 123.127 120.500 -0.020 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 -0.116 0.000 1.020 136 R CA -2.123 53.964 56.100 -0.022 0.000 0.963 136 R CB 1.368 31.667 30.300 -0.002 0.000 1.197 136 R HN 0.389 nan 8.270 nan 0.000 0.481 137 P HA -0.076 nan 4.420 nan 0.000 0.260 137 P C 0.536 177.744 177.300 -0.155 0.000 1.172 137 P CA 1.396 64.405 63.100 -0.151 0.000 0.760 137 P CB 0.446 32.085 31.700 -0.101 0.000 0.773 138 G N 2.568 111.237 108.800 -0.217 0.000 2.349 138 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.213 138 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.213 138 G C 0.472 175.088 174.900 -0.473 0.000 1.044 138 G CA -0.464 44.465 45.100 -0.286 0.000 0.633 138 G HN 0.523 nan 8.290 nan 0.000 0.506 139 N N 0.607 119.108 118.700 -0.331 0.000 2.374 139 N HA 0.387 5.127 4.740 -0.000 0.000 0.241 139 N C -0.459 174.804 175.510 -0.411 0.000 1.262 139 N CA 0.502 53.366 53.050 -0.309 0.000 0.880 139 N CB 0.051 38.448 38.487 -0.150 0.000 1.105 139 N HN 0.345 nan 8.380 nan 0.000 0.438 140 Y N 0.350 120.613 120.300 -0.062 0.000 2.420 140 Y HA 0.519 5.069 4.550 -0.000 0.000 0.334 140 Y C 0.379 176.228 175.900 -0.086 0.000 1.094 140 Y CA -0.539 57.539 58.100 -0.036 0.000 1.126 140 Y CB 1.170 39.630 38.460 -0.000 0.000 1.217 140 Y HN 0.256 nan 8.280 nan 0.000 0.462 141 I N 3.890 124.574 120.570 0.189 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 0.311 0.000 1.023 141 I CA -0.858 60.527 61.300 0.140 0.000 1.100 141 I CB 0.748 38.813 38.000 0.108 0.000 1.238 141 I HN 0.426 nan 8.210 nan 0.000 0.445 142 Y N 6.670 127.037 120.300 0.112 0.000 2.313 142 Y HA 0.560 5.110 4.550 0.000 0.000 0.332 142 Y C 0.256 176.215 175.900 0.098 0.000 1.071 142 Y CA -1.265 56.889 58.100 0.090 0.000 1.169 142 Y CB 1.022 39.518 38.460 0.059 0.000 1.192 142 Y HN 0.304 nan 8.280 nan 0.000 0.487 143 I N 2.549 123.272 120.570 0.255 0.000 2.582 143 I HA 0.200 4.370 4.170 -0.000 0.000 0.292 143 I C -0.544 175.662 176.117 0.149 0.000 1.066 143 I CA -0.839 60.581 61.300 0.200 0.000 1.053 143 I CB 1.999 40.133 38.000 0.223 0.000 1.241 143 I HN 0.540 nan 8.210 nan 0.000 0.421 144 D N 4.780 125.260 120.400 0.132 0.000 2.767 144 D HA -0.180 4.460 4.640 -0.000 0.000 0.239 144 D C -0.070 176.275 176.300 0.075 0.000 1.103 144 D CA 1.080 55.149 54.000 0.115 0.000 0.710 144 D CB -0.642 40.258 40.800 0.168 0.000 1.084 144 D HN 0.854 nan 8.370 nan 0.000 0.435 145 D N -1.904 118.535 120.400 0.065 0.000 3.059 145 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 145 D C 1.107 177.409 176.300 0.003 0.000 1.079 145 D CA 1.844 55.866 54.000 0.037 0.000 0.986 145 D CB -1.480 39.331 40.800 0.018 0.000 1.090 145 D HN 1.234 nan 8.370 nan 0.000 0.428 146 G N 0.214 109.023 108.800 0.015 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 1.149 175.853 174.900 -0.326 0.000 0.981 146 G CA 0.498 45.488 45.100 -0.182 0.000 0.665 146 G HN 0.512 nan 8.290 nan 0.000 0.528 147 I N -0.753 119.709 120.570 -0.181 0.000 2.286 147 I HA 0.088 4.258 4.170 -0.000 0.000 0.245 147 I C 1.380 177.358 176.117 -0.232 0.000 1.104 147 I CA 0.722 61.861 61.300 -0.268 0.000 1.397 147 I CB -0.014 37.764 38.000 -0.371 0.000 1.072 147 I HN 0.268 nan 8.210 nan 0.000 0.417 148 L N 1.880 123.071 121.223 -0.054 0.000 2.264 148 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 148 L C -0.556 176.339 176.870 0.042 0.000 1.044 148 L CA 0.115 54.979 54.840 0.040 0.000 0.807 148 L CB 0.717 42.867 42.059 0.152 0.000 1.192 148 L HN -0.044 nan 8.230 nan 0.000 0.425 149 I N 6.750 127.338 120.570 0.030 0.000 2.359 149 I HA 0.302 4.472 4.170 -0.000 0.000 0.284 149 I C -0.607 175.624 176.117 0.190 0.000 1.018 149 I CA -0.425 60.951 61.300 0.126 0.000 1.173 149 I CB 1.029 39.036 38.000 0.011 0.000 1.326 149 I HN 0.491 nan 8.210 nan 0.000 0.462 150 L N 6.040 127.408 121.223 0.240 0.000 2.357 150 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 150 L C -0.063 176.937 176.870 0.216 0.000 1.080 150 L CA -0.519 54.431 54.840 0.183 0.000 0.803 150 L CB 1.269 43.420 42.059 0.153 0.000 1.174 150 L HN 0.583 nan 8.230 nan 0.000 0.443 151 Q N 1.454 121.328 119.800 0.124 0.000 2.316 151 Q HA 0.406 4.746 4.340 -0.000 0.000 0.264 151 Q C -1.248 174.691 176.000 -0.102 0.000 0.987 151 Q CA -0.754 55.046 55.803 -0.005 0.000 0.852 151 Q CB 2.309 31.020 28.738 -0.045 0.000 1.287 151 Q HN 0.459 nan 8.270 nan 0.000 0.448 152 V N 5.009 124.821 119.914 -0.169 0.000 2.479 152 V HA -0.027 4.093 4.120 -0.000 0.000 0.281 152 V C 0.655 176.634 176.094 -0.193 0.000 1.031 152 V CA 0.180 62.369 62.300 -0.185 0.000 1.038 152 V CB 1.128 32.830 31.823 -0.201 0.000 0.981 152 V HN 0.875 nan 8.190 nan 0.000 0.478 153 Q N 3.000 122.693 119.800 -0.178 0.000 2.387 153 Q HA 0.212 4.552 4.340 -0.000 0.000 0.208 153 Q C 0.675 176.585 176.000 -0.149 0.000 0.935 153 Q CA 0.818 56.534 55.803 -0.144 0.000 0.891 153 Q CB 0.685 29.353 28.738 -0.116 0.000 1.007 153 Q HN 0.896 nan 8.270 nan 0.000 0.548 154 S N -0.954 114.637 115.700 -0.182 0.000 2.611 154 S HA 0.415 4.885 4.470 -0.000 0.000 0.268 154 S C -1.287 173.168 174.600 -0.243 0.000 1.156 154 S CA -0.938 57.159 58.200 -0.173 0.000 0.817 154 S CB 0.696 63.865 63.200 -0.050 0.000 1.122 154 S HN 0.226 nan 8.310 nan 0.000 0.466 155 H N 1.061 120.122 119.070 -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 0.012 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 2.669 122.938 120.200 0.115 0.000 2.070 156 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 156 E C 0.173 176.809 176.600 0.060 0.000 1.004 156 E CA 2.110 58.571 56.400 0.102 0.000 0.805 156 E CB 0.315 30.094 29.700 0.132 0.000 0.744 156 E HN 0.877 nan 8.360 nan 0.000 0.451 157 D N -2.908 117.529 120.400 0.062 0.000 2.921 157 D HA 0.135 4.775 4.640 -0.000 0.000 0.329 157 D C 0.244 176.562 176.300 0.029 0.000 1.293 157 D CA -0.567 53.452 54.000 0.031 0.000 0.964 157 D CB -0.302 40.497 40.800 -0.001 0.000 1.435 157 D HN -0.049 nan 8.370 nan 0.000 0.548 158 E N -1.114 119.081 120.200 -0.007 0.000 2.409 158 E HA -0.076 4.274 4.350 -0.000 0.000 0.198 158 E C 0.674 177.262 176.600 -0.020 0.000 1.024 158 E CA 0.855 57.234 56.400 -0.034 0.000 0.861 158 E CB 0.112 29.785 29.700 -0.044 0.000 0.788 158 E HN 0.350 nan 8.360 nan 0.000 0.521 159 Q N -0.883 118.917 119.800 -0.000 0.000 2.140 159 Q HA 0.127 4.466 4.340 -0.000 0.000 0.227 159 Q C -0.546 175.450 176.000 -0.008 0.000 0.798 159 Q CA 0.131 55.932 55.803 -0.003 0.000 0.987 159 Q CB 1.859 30.603 28.738 0.009 0.000 1.161 159 Q HN -0.076 nan 8.270 nan 0.000 0.480 160 T N 0.834 115.394 114.554 0.010 0.000 2.916 160 T HA 0.538 4.888 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 -0.504 61.593 62.100 -0.005 0.000 0.993 160 T CB 1.506 70.356 68.868 -0.029 0.000 1.045 160 T HN 0.023 nan 8.240 nan 0.000 0.454 161 L N 2.336 123.552 121.223 -0.012 0.000 2.322 161 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 161 L C 0.481 177.304 176.870 -0.079 0.000 1.014 161 L CA -0.880 53.918 54.840 -0.070 0.000 0.815 161 L CB 1.687 43.662 42.059 -0.139 0.000 1.247 161 L HN 0.645 nan 8.230 nan 0.000 0.421 162 E N 2.603 122.746 120.200 -0.096 0.000 2.259 162 E HA 0.282 4.632 4.350 -0.000 0.000 0.281 162 E C -1.381 175.040 176.600 -0.299 0.000 1.037 162 E CA -0.456 55.756 56.400 -0.313 0.000 0.854 162 E CB 1.054 30.664 29.700 -0.149 0.000 1.051 162 E HN 0.595 nan 8.360 nan 0.000 0.409 163 C N 3.281 122.367 119.300 -0.356 0.000 2.614 163 C HA 0.452 4.912 4.460 -0.000 0.000 0.320 163 C C -0.005 174.883 174.990 -0.169 0.000 1.200 163 C CA -0.650 58.245 59.018 -0.203 0.000 1.700 163 C CB 1.695 29.356 27.740 -0.133 0.000 2.275 163 C HN 0.723 nan 8.230 nan 0.000 0.492 164 T N 1.807 116.306 114.554 -0.092 0.000 2.845 164 T HA 0.358 4.708 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 -0.021 0.000 0.941 164 T HN 0.446 nan 8.240 nan 0.000 0.487 165 V N 4.347 124.270 119.914 0.016 0.000 2.389 165 V HA 0.147 4.267 4.120 -0.000 0.000 0.264 165 V C 1.783 177.905 176.094 0.046 0.000 1.049 165 V CA -0.035 62.292 62.300 0.044 0.000 0.932 165 V CB 0.572 32.417 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 0.605 175.321 174.700 0.027 0.000 1.105 166 T CA 0.358 62.495 62.100 0.061 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 -0.103 118.610 118.700 0.020 0.000 2.484 167 N HA 0.238 4.978 4.740 -0.000 0.000 0.269 167 N C -1.785 173.736 175.510 0.018 0.000 1.237 167 N CA -0.615 52.435 53.050 0.000 0.000 0.838 167 N CB 1.618 40.084 38.487 -0.035 0.000 1.593 167 N HN -0.022 nan 8.380 nan 0.000 0.485 168 S N 0.280 115.990 115.700 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 0.145 58.367 58.200 0.037 0.000 1.045 168 S CB -0.286 62.926 63.200 0.019 0.000 0.918 168 S HN 0.729 nan 8.310 nan 0.000 0.505 169 H N 0.266 119.302 119.070 -0.057 0.000 3.136 169 H HA 0.219 4.775 4.556 -0.000 0.000 0.313 169 H C -1.100 174.170 175.328 -0.097 0.000 1.103 169 H CA -0.367 55.639 56.048 -0.069 0.000 1.437 169 H CB 0.404 30.128 29.762 -0.064 0.000 2.063 169 H HN 0.516 nan 8.280 nan 0.000 0.495 170 T N 5.979 120.257 114.554 -0.460 0.000 2.832 170 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 170 T C 0.389 174.698 174.700 -0.651 0.000 0.968 170 T CA -0.349 61.484 62.100 -0.445 0.000 1.107 170 T CB -0.226 68.463 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 -0.900 60.155 61.300 -0.408 0.000 1.093 171 I CB 2.033 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 0.239 0.000 1.149 172 S CA -0.783 57.429 58.200 0.021 0.000 1.020 172 S CB 0.576 63.782 63.200 0.009 0.000 1.127 172 S HN 0.650 nan 8.310 nan 0.000 0.537 173 D N 1.055 121.598 120.400 0.238 0.000 2.488 173 D HA 0.162 4.802 4.640 -0.000 0.000 0.238 173 D C 0.206 176.579 176.300 0.122 0.000 1.138 173 D CA 0.796 54.906 54.000 0.183 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 0.251 120.798 120.500 0.079 0.000 3.332 174 R HA -0.236 4.104 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 0.276 56.417 56.100 0.069 0.000 0.705 174 R CB -1.242 29.086 30.300 0.048 0.000 1.166 174 R HN 0.305 nan 8.270 nan 0.000 0.427 175 R N 0.239 120.816 120.500 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 0.848 57.016 56.100 0.113 0.000 1.154 175 R CB 0.633 31.007 30.300 0.125 0.000 1.063 175 R HN 0.321 nan 8.270 nan 0.000 0.519 176 G N 0.427 109.273 108.800 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 -0.859 174.090 174.900 0.081 0.000 1.227 176 G CA -0.325 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 0.324 120.276 119.914 0.064 0.000 2.864 177 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 177 V C -0.483 175.647 176.094 0.060 0.000 1.073 177 V CA -1.303 61.057 62.300 0.100 0.000 0.956 177 V CB 2.017 33.915 31.823 0.125 0.000 1.023 177 V HN 0.776 nan 8.190 nan 0.000 0.435 178 N N 2.729 121.488 118.700 0.098 0.000 2.469 178 N HA 0.665 5.405 4.740 -0.000 0.000 0.286 178 N C -1.876 173.623 175.510 -0.019 0.000 1.275 178 N CA -0.567 52.508 53.050 0.041 0.000 0.790 178 N CB 2.114 40.647 38.487 0.076 0.000 1.446 178 N HN 0.507 nan 8.380 nan 0.000 0.501 179 L N 2.079 123.274 121.223 -0.046 0.000 2.480 179 L HA 0.329 4.669 4.340 -0.000 0.000 0.253 179 L C -1.827 174.985 176.870 -0.097 0.000 1.324 179 L CA -1.532 53.269 54.840 -0.065 0.000 0.916 179 L CB 1.012 43.088 42.059 0.028 0.000 1.160 179 L HN 0.377 nan 8.230 nan 0.000 0.503 180 P HA -0.016 nan 4.420 nan 0.000 0.223 180 P C 1.089 178.328 177.300 -0.103 0.000 1.151 180 P CA 0.789 63.800 63.100 -0.148 0.000 0.787 180 P CB 0.509 32.062 31.700 -0.244 0.000 0.788 181 G N -1.582 107.158 108.800 -0.099 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 -0.455 174.381 174.900 -0.106 0.000 1.112 181 G CA -0.015 45.014 45.100 -0.118 0.000 0.861 181 G HN 0.240 nan 8.290 nan 0.000 0.534 182 C N 0.631 119.888 119.300 -0.072 0.000 2.547 182 C HA 0.410 4.870 4.460 -0.000 0.000 0.313 182 C C -0.940 174.051 174.990 0.003 0.000 1.191 182 C CA -1.257 57.749 59.018 -0.020 0.000 1.474 182 C CB 1.881 29.634 27.740 0.023 0.000 2.081 182 C HN 0.373 nan 8.230 nan 0.000 0.476 183 D N 2.754 123.162 120.400 0.015 0.000 2.422 183 D HA 0.205 4.845 4.640 -0.000 0.000 0.227 183 D C 0.025 176.364 176.300 0.065 0.000 1.190 183 D CA 0.246 54.260 54.000 0.023 0.000 0.905 183 D CB 1.015 41.824 40.800 0.015 0.000 1.034 183 D HN 0.220 nan 8.370 nan 0.000 0.507 184 V N 2.977 122.921 119.914 0.050 0.000 2.555 184 V HA 0.030 4.150 4.120 -0.000 0.000 0.286 184 V C 0.850 176.974 176.094 0.049 0.000 1.044 184 V CA -0.137 62.204 62.300 0.069 0.000 1.026 184 V CB 1.280 33.131 31.823 0.047 0.000 0.981 184 V HN 0.476 nan 8.190 nan 0.000 0.480 185 D N 3.455 123.952 120.400 0.162 0.000 2.696 185 D HA 0.174 4.814 4.640 -0.000 0.000 0.269 185 D C 0.156 176.545 176.300 0.148 0.000 1.319 185 D CA -0.424 53.655 54.000 0.131 0.000 0.826 185 D CB -0.198 40.687 40.800 0.140 0.000 1.086 185 D HN 0.362 nan 8.370 nan 0.000 0.481 186 L N 0.468 121.745 121.223 0.089 0.000 2.529 186 L HA 0.166 4.506 4.340 -0.000 0.000 0.287 186 L C -1.604 175.314 176.870 0.080 0.000 1.241 186 L CA -1.225 53.668 54.840 0.089 0.000 0.857 186 L CB -0.260 41.822 42.059 0.038 0.000 1.113 186 L HN -0.022 nan 8.230 nan 0.000 0.504 187 P HA 0.006 nan 4.420 nan 0.000 0.269 187 P C 0.023 177.360 177.300 0.060 0.000 1.217 187 P CA -0.176 62.961 63.100 0.061 0.000 0.783 187 P CB 0.612 32.349 31.700 0.061 0.000 0.898 188 A N 1.392 124.238 122.820 0.043 0.000 1.930 188 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 188 A C 0.808 178.428 177.584 0.060 0.000 1.175 188 A CA 1.426 53.488 52.037 0.043 0.000 0.627 188 A CB -0.490 18.524 19.000 0.023 0.000 0.815 188 A HN 0.412 nan 8.150 nan 0.000 0.443 189 V N 1.113 121.058 119.914 0.052 0.000 2.483 189 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 189 V C 0.389 176.514 176.094 0.053 0.000 1.027 189 V CA -0.306 62.024 62.300 0.050 0.000 0.855 189 V CB 1.457 33.303 31.823 0.038 0.000 0.995 189 V HN 0.569 nan 8.190 nan 0.000 0.424 190 S N 4.632 120.365 115.700 0.055 0.000 2.617 190 S HA 0.476 4.946 4.470 -0.000 0.000 0.259 190 S C 1.482 176.112 174.600 0.051 0.000 1.301 190 S CA 0.249 58.480 58.200 0.053 0.000 0.984 190 S CB 1.404 64.633 63.200 0.049 0.000 0.954 190 S HN 1.075 nan 8.310 nan 0.000 0.572 191 A N 0.841 123.690 122.820 0.049 0.000 1.930 191 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 191 A C 2.188 179.804 177.584 0.053 0.000 1.175 191 A CA 1.617 53.683 52.037 0.047 0.000 0.627 191 A CB -0.901 18.124 19.000 0.041 0.000 0.815 191 A HN 0.918 nan 8.150 nan 0.000 0.443 192 K N -0.394 120.038 120.400 0.053 0.000 2.057 192 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 192 K C 1.242 177.905 176.600 0.104 0.000 1.049 192 K CA 1.667 57.995 56.287 0.068 0.000 0.931 192 K CB -0.260 32.276 32.500 0.060 0.000 0.714 192 K HN 0.355 nan 8.250 nan 0.000 0.440 193 D N 0.532 120.982 120.400 0.082 0.000 2.123 193 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 193 D C 2.020 178.357 176.300 0.061 0.000 0.992 193 D CA 1.070 55.109 54.000 0.066 0.000 0.833 193 D CB -0.134 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 2.191 178.544 176.300 0.088 0.000 1.136 194 R CA 0.764 56.900 56.100 0.060 0.000 0.959 194 R CB -0.150 30.183 30.300 0.054 0.000 0.856 194 R HN 0.056 nan 8.270 nan 0.000 0.437 195 V N 0.783 120.769 119.914 0.120 0.000 2.871 195 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 195 V C 1.185 177.445 176.094 0.276 0.000 1.082 195 V CA 1.536 63.950 62.300 0.190 0.000 1.105 195 V CB -0.229 31.692 31.823 0.163 0.000 0.713 195 V HN 0.286 nan 8.190 nan 0.000 0.473 196 D N 0.096 120.616 120.400 0.200 0.000 2.137 196 D HA -0.029 4.611 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 0.946 55.019 54.000 0.121 0.000 0.837 196 D CB -0.098 40.736 40.800 0.057 0.000 0.981 196 D HN 0.300 nan 8.370 nan 0.000 0.475 197 L N 0.399 121.610 121.223 -0.020 0.000 2.046 197 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 197 L C 2.455 179.320 176.870 -0.008 0.000 1.077 197 L CA 0.943 55.757 54.840 -0.042 0.000 0.747 197 L CB -0.266 41.779 42.059 -0.023 0.000 0.896 197 L HN 0.002 nan 8.230 nan 0.000 0.432 198 Q N 0.035 119.864 119.800 0.048 0.000 2.124 198 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 198 Q C 2.005 178.041 176.000 0.059 0.000 0.977 198 Q CA 1.822 57.658 55.803 0.055 0.000 0.850 198 Q CB -0.462 28.328 28.738 0.087 0.000 0.901 198 Q HN 0.448 nan 8.270 nan 0.000 0.429 199 F N -0.368 119.544 119.950 -0.064 0.000 2.134 199 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 199 F C 1.823 177.542 175.800 -0.135 0.000 1.097 199 F CA 1.863 59.792 58.000 -0.119 0.000 1.264 199 F CB -0.592 38.206 39.000 -0.337 0.000 1.001 199 F HN 0.159 nan 8.300 nan 0.000 0.479 200 G N -0.009 108.744 108.800 -0.077 0.000 2.418 200 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 200 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 200 G C 1.701 176.489 174.900 -0.186 0.000 1.158 200 G CA 1.162 46.158 45.100 -0.173 0.000 0.771 200 G HN 0.343 nan 8.290 nan 0.000 0.545 201 V N 0.704 120.539 119.914 -0.132 0.000 2.343 201 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 201 V C 2.650 178.663 176.094 -0.135 0.000 1.051 201 V CA 2.247 64.482 62.300 -0.108 0.000 1.036 201 V CB -0.568 31.216 31.823 -0.064 0.000 0.654 201 V HN 0.451 nan 8.190 nan 0.000 0.451 202 E N -0.273 119.826 120.200 -0.169 0.000 2.077 202 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 202 E C 2.040 178.495 176.600 -0.242 0.000 0.989 202 E CA 1.057 57.348 56.400 -0.182 0.000 0.800 202 E CB -0.085 29.505 29.700 -0.184 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 0.602 176.476 176.000 -0.209 0.000 0.910 203 Q CA 0.577 56.176 55.803 -0.339 0.000 0.946 203 Q CB 0.870 29.294 28.738 -0.524 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 0.386 175.220 174.900 -0.111 0.000 1.055 204 G CA 0.400 45.427 45.100 -0.122 0.000 0.922 204 G HN 0.375 nan 8.290 nan 0.000 0.503 205 V N -2.702 117.137 119.914 -0.126 0.000 2.843 205 V HA 0.334 4.454 4.120 -0.000 0.000 0.305 205 V C 1.350 177.386 176.094 -0.097 0.000 1.065 205 V CA 0.535 62.768 62.300 -0.112 0.000 1.116 205 V CB 1.012 32.756 31.823 -0.131 0.000 0.968 205 V HN 0.245 nan 8.190 nan 0.000 0.487 206 D N 3.554 123.900 120.400 -0.089 0.000 2.117 206 D HA 0.013 4.653 4.640 -0.000 0.000 0.198 206 D C 0.798 177.055 176.300 -0.071 0.000 0.982 206 D CA 2.123 56.081 54.000 -0.071 0.000 0.828 206 D CB 0.114 40.881 40.800 -0.055 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 -0.115 0.000 2.622 207 M HA 0.460 4.940 4.480 -0.000 0.000 0.276 207 M C -1.669 174.518 176.300 -0.189 0.000 1.265 207 M CA -0.914 54.322 55.300 -0.106 0.000 0.850 207 M CB 2.995 35.566 32.600 -0.049 0.000 1.720 207 M HN -0.375 nan 8.290 nan 0.000 0.465 208 I N 2.414 122.925 120.570 -0.098 0.000 2.378 208 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 208 I C -1.326 174.855 176.117 0.107 0.000 0.992 208 I CA -0.374 60.871 61.300 -0.092 0.000 1.154 208 I CB 1.455 39.429 38.000 -0.043 0.000 1.315 208 I HN 0.597 nan 8.210 nan 0.000 0.448 209 F N 4.564 124.503 119.950 -0.018 0.000 2.368 209 F HA 0.426 4.953 4.527 -0.000 0.000 0.362 209 F C 0.870 176.673 175.800 0.004 0.000 1.137 209 F CA -1.444 56.557 58.000 0.002 0.000 1.161 209 F CB 0.716 39.726 39.000 0.017 0.000 1.265 209 F HN 0.456 nan 8.300 nan 0.000 0.530 210 A N 3.147 126.079 122.820 0.187 0.000 2.310 210 A HA 0.499 4.819 4.320 -0.000 0.000 0.300 210 A C 0.512 178.165 177.584 0.114 0.000 1.269 210 A CA -0.351 51.754 52.037 0.112 0.000 0.909 210 A CB -0.104 18.941 19.000 0.076 0.000 1.144 210 A HN 0.597 nan 8.150 nan 0.000 0.540 211 S N 1.460 117.235 115.700 0.126 0.000 2.579 211 S HA 0.319 4.789 4.470 -0.000 0.000 0.275 211 S C 0.250 174.986 174.600 0.227 0.000 1.345 211 S CA 0.032 58.325 58.200 0.154 0.000 1.031 211 S CB -0.153 63.126 63.200 0.132 0.000 0.892 211 S HN 1.203 nan 8.310 nan 0.000 0.529 212 F N 0.935 120.893 119.950 0.014 0.000 2.943 212 F HA -0.165 4.362 4.527 0.000 0.000 0.258 212 F C -0.406 175.396 175.800 0.003 0.000 0.995 212 F CA -0.284 57.719 58.000 0.004 0.000 0.896 212 F CB -1.160 37.838 39.000 -0.004 0.000 0.821 212 F HN 0.424 nan 8.300 nan 0.000 0.828 213 I N 3.992 124.549 120.570 -0.022 0.000 2.347 213 I HA 0.040 4.210 4.170 -0.000 0.000 0.294 213 I C 1.553 177.578 176.117 -0.153 0.000 1.090 213 I CA -0.093 61.165 61.300 -0.071 0.000 1.314 213 I CB 0.771 38.758 38.000 -0.022 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 -0.224 0.000 2.115 214 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 214 R C 0.687 176.924 176.300 -0.106 0.000 1.100 214 R CA 0.468 56.448 56.100 -0.200 0.000 0.980 214 R CB -0.480 29.677 30.300 -0.238 0.000 0.875 214 R HN 0.657 nan 8.270 nan 0.000 0.445 215 S N -2.240 113.414 115.700 -0.076 0.000 2.596 215 S HA 0.618 5.088 4.470 -0.000 0.000 0.270 215 S C 0.427 175.008 174.600 -0.032 0.000 1.155 215 S CA -0.346 57.825 58.200 -0.048 0.000 0.827 215 S CB 1.763 64.940 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 1.949 179.525 177.584 -0.012 0.000 1.175 216 A CA 1.840 53.867 52.037 -0.017 0.000 0.628 216 A CB -1.140 17.851 19.000 -0.015 0.000 0.814 216 A HN 1.008 nan 8.150 nan 0.000 0.444 217 E N -0.425 119.767 120.200 -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 1.353 57.749 56.400 -0.008 0.000 0.804 217 E CB -0.224 29.472 29.700 -0.007 0.000 0.745 217 E HN 0.754 nan 8.360 nan 0.000 0.458 218 Q N 0.170 119.964 119.800 -0.010 0.000 2.124 218 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 218 Q C 2.229 178.229 176.000 -0.000 0.000 0.977 218 Q CA 1.728 57.528 55.803 -0.006 0.000 0.850 218 Q CB 0.174 28.901 28.738 -0.018 0.000 0.901 218 Q HN 0.287 nan 8.270 nan 0.000 0.429 219 V N 0.145 120.057 119.914 -0.003 0.000 2.343 219 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 219 V C 2.316 178.412 176.094 0.004 0.000 1.051 219 V CA 1.858 64.160 62.300 0.003 0.000 1.036 219 V CB -1.284 30.540 31.823 0.001 0.000 0.654 219 V HN 0.574 nan 8.190 nan 0.000 0.451 220 G N -0.189 108.612 108.800 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 1.008 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 0.255 120.659 120.400 0.006 0.000 2.144 221 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 221 D C 2.755 179.061 176.300 0.011 0.000 0.984 221 D CA 0.640 54.646 54.000 0.010 0.000 0.834 221 D CB -0.331 40.476 40.800 0.012 0.000 0.955 221 D HN 0.223 nan 8.370 nan 0.000 0.465 222 V N 0.907 120.827 119.914 0.010 0.000 2.343 222 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 222 V C 2.479 178.575 176.094 0.004 0.000 1.051 222 V CA 1.359 63.664 62.300 0.009 0.000 1.036 222 V CB -0.387 31.443 31.823 0.011 0.000 0.654 222 V HN 0.038 nan 8.190 nan 0.000 0.451 223 R N 1.000 121.502 120.500 0.005 0.000 2.096 223 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 223 R C 2.233 178.534 176.300 0.002 0.000 1.127 223 R CA 1.930 58.032 56.100 0.002 0.000 0.968 223 R CB -0.504 29.798 30.300 0.003 0.000 0.861 223 R HN 0.533 nan 8.270 nan 0.000 0.440 224 K N -0.797 119.606 120.400 0.004 0.000 2.103 224 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 224 K C 1.813 178.417 176.600 0.007 0.000 1.052 224 K CA 1.117 57.408 56.287 0.006 0.000 0.945 224 K CB -0.157 32.348 32.500 0.007 0.000 0.722 224 K HN 0.212 nan 8.250 nan 0.000 0.443 225 A N 1.256 124.081 122.820 0.008 0.000 1.933 225 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 225 A C 2.039 179.625 177.584 0.004 0.000 1.175 225 A CA 1.098 53.140 52.037 0.010 0.000 0.628 225 A CB -0.533 18.474 19.000 0.012 0.000 0.814 225 A HN 0.314 nan 8.150 nan 0.000 0.444 226 L N -1.335 119.886 121.223 -0.002 0.000 2.093 226 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 226 L C 1.652 178.518 176.870 -0.007 0.000 1.085 226 L CA 0.694 55.528 54.840 -0.010 0.000 0.755 226 L CB -1.012 41.038 42.059 -0.016 0.000 0.904 226 L HN 0.691 nan 8.230 nan 0.000 0.435 227 G N -0.830 107.969 108.800 -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 -2.136 172.762 174.900 -0.003 0.000 1.353 227 G CA -0.245 44.854 45.100 -0.001 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 1.843 179.140 177.300 -0.005 0.000 1.153 228 P CA 1.666 64.765 63.100 -0.002 0.000 0.848 228 P CB 0.026 31.726 31.700 0.000 0.000 0.787 229 K N -0.769 119.627 120.400 -0.008 0.000 2.209 229 K HA 0.003 4.323 4.320 -0.000 0.000 0.204 229 K C 1.893 178.482 176.600 -0.019 0.000 1.048 229 K CA 1.494 57.773 56.287 -0.013 0.000 0.940 229 K CB -0.819 31.672 32.500 -0.016 0.000 0.729 229 K HN 0.211 nan 8.250 nan 0.000 0.451 230 G N 1.580 110.369 108.800 -0.018 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 1.281 176.171 174.900 -0.017 0.000 1.131 230 G CA -0.376 44.710 45.100 -0.023 0.000 0.773 230 G HN 0.288 nan 8.290 nan 0.000 0.544 231 R N 0.016 120.510 120.500 -0.010 0.000 2.152 231 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 231 R C 0.489 176.787 176.300 -0.004 0.000 1.117 231 R CA 1.380 57.477 56.100 -0.005 0.000 0.981 231 R CB -0.130 30.170 30.300 -0.001 0.000 0.870 231 R HN 0.026 nan 8.270 nan 0.000 0.451 232 D N 0.879 121.275 120.400 -0.006 0.000 2.340 232 D HA 0.203 4.843 4.640 -0.000 0.000 0.217 232 D C 0.230 176.526 176.300 -0.008 0.000 1.081 232 D CA 0.109 54.108 54.000 -0.003 0.000 0.842 232 D CB 0.224 41.023 40.800 -0.001 0.000 0.934 232 D HN 0.255 nan 8.370 nan 0.000 0.511 233 I N 1.121 121.682 120.570 -0.015 0.000 2.441 233 I HA 0.101 4.271 4.170 -0.000 0.000 0.287 233 I C 0.752 176.864 176.117 -0.009 0.000 1.049 233 I CA -0.335 60.952 61.300 -0.022 0.000 1.381 233 I CB 0.940 38.917 38.000 -0.039 0.000 1.409 233 I HN -0.360 nan 8.210 nan 0.000 0.523 234 M N 6.661 126.261 119.600 -0.001 0.000 2.200 234 M HA 0.325 4.805 4.480 -0.000 0.000 0.355 234 M C -0.468 175.851 176.300 0.031 0.000 1.283 234 M CA 0.201 55.514 55.300 0.021 0.000 1.124 234 M CB 0.590 33.212 32.600 0.037 0.000 1.625 234 M HN 0.392 nan 8.290 nan 0.000 0.463 235 I N 4.891 125.484 120.570 0.038 0.000 2.306 235 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 235 I C -0.499 175.663 176.117 0.076 0.000 1.036 235 I CA -0.593 60.738 61.300 0.052 0.000 1.221 235 I CB 0.613 38.632 38.000 0.032 0.000 1.385 235 I HN 0.464 nan 8.210 nan 0.000 0.472 236 I N 5.762 126.414 120.570 0.136 0.000 2.315 236 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 236 I C 0.024 176.193 176.117 0.086 0.000 1.006 236 I CA -0.442 60.934 61.300 0.126 0.000 1.265 236 I CB 1.040 39.173 38.000 0.221 0.000 1.387 236 I HN 0.538 nan 8.210 nan 0.000 0.475 237 C N 6.696 126.014 119.300 0.031 0.000 2.265 237 C HA 0.305 4.765 4.460 -0.000 0.000 0.332 237 C C 0.802 175.788 174.990 -0.006 0.000 1.248 237 C CA -1.060 57.971 59.018 0.020 0.000 1.727 237 C CB -0.467 27.278 27.740 0.009 0.000 2.348 237 C HN 0.615 nan 8.230 nan 0.000 0.519 238 K N 3.543 123.948 120.400 0.008 0.000 2.339 238 K HA 0.392 4.712 4.320 -0.000 0.000 0.286 238 K C -0.296 176.314 176.600 0.017 0.000 1.050 238 K CA 0.002 56.288 56.287 -0.002 0.000 0.956 238 K CB 0.505 33.022 32.500 0.028 0.000 0.990 238 K HN 0.516 nan 8.250 nan 0.000 0.475 239 I N 4.040 124.612 120.570 0.003 0.000 2.306 239 I HA 0.082 4.252 4.170 -0.000 0.000 0.288 239 I C 0.680 176.817 176.117 0.033 0.000 1.036 239 I CA 0.129 61.432 61.300 0.004 0.000 1.221 239 I CB 0.751 38.741 38.000 -0.017 0.000 1.385 239 I HN 0.793 nan 8.210 nan 0.000 0.472 240 E N 4.027 124.273 120.200 0.077 0.000 2.606 240 E HA 0.073 4.423 4.350 -0.000 0.000 0.224 240 E C -0.155 176.540 176.600 0.157 0.000 0.930 240 E CA -0.120 56.358 56.400 0.130 0.000 1.125 240 E CB 0.677 30.499 29.700 0.202 0.000 1.123 240 E HN 0.718 nan 8.360 nan 0.000 0.522 241 N N -0.809 117.957 118.700 0.109 0.000 3.102 241 N HA 0.075 4.815 4.740 -0.000 0.000 0.299 241 N C 0.443 175.986 175.510 0.056 0.000 1.482 241 N CA -0.647 52.468 53.050 0.109 0.000 0.785 241 N CB 0.486 39.051 38.487 0.130 0.000 1.680 241 N HN -0.177 nan 8.380 nan 0.000 0.594 242 H N -0.693 118.376 119.070 -0.001 0.000 2.290 242 H HA -0.021 4.535 4.556 -0.000 0.000 0.298 242 H C 1.504 176.810 175.328 -0.036 0.000 1.087 242 H CA 2.293 58.333 56.048 -0.012 0.000 1.291 242 H CB 0.216 29.974 29.762 -0.006 0.000 1.369 242 H HN 0.623 nan 8.280 nan 0.000 0.492 243 Q N -0.782 119.064 119.800 0.077 0.000 2.096 243 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 243 Q C 2.516 178.478 176.000 -0.064 0.000 0.982 243 Q CA 1.173 56.978 55.803 0.003 0.000 0.850 243 Q CB -0.261 28.447 28.738 -0.049 0.000 0.901 243 Q HN 0.672 nan 8.270 nan 0.000 0.422 244 G N -0.188 108.557 108.800 -0.091 0.000 2.418 244 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 244 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 244 G C 1.453 176.306 174.900 -0.079 0.000 1.158 244 G CA 0.911 45.959 45.100 -0.086 0.000 0.771 244 G HN 0.236 nan 8.290 nan 0.000 0.545 245 V N 0.723 120.576 119.914 -0.102 0.000 2.343 245 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 245 V C 2.769 178.788 176.094 -0.125 0.000 1.051 245 V CA 2.239 64.468 62.300 -0.120 0.000 1.036 245 V CB -0.471 31.250 31.823 -0.170 0.000 0.654 245 V HN 0.533 nan 8.190 nan 0.000 0.451 246 Q N 0.309 120.019 119.800 -0.150 0.000 2.124 246 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 246 Q C 1.253 177.218 176.000 -0.059 0.000 0.977 246 Q CA 1.571 57.311 55.803 -0.105 0.000 0.850 246 Q CB -0.066 28.631 28.738 -0.067 0.000 0.901 246 Q HN 0.597 nan 8.270 nan 0.000 0.429 247 N N 0.768 119.436 118.700 -0.054 0.000 2.295 247 N HA 0.019 4.759 4.740 -0.000 0.000 0.221 247 N C 1.031 176.517 175.510 -0.039 0.000 1.129 247 N CA 0.008 53.034 53.050 -0.040 0.000 0.836 247 N CB 0.348 38.812 38.487 -0.038 0.000 1.040 247 N HN 0.273 nan 8.380 nan 0.000 0.494 248 I N 1.256 121.800 120.570 -0.043 0.000 2.286 248 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 248 I C 1.400 177.500 176.117 -0.028 0.000 1.115 248 I CA 1.608 62.886 61.300 -0.037 0.000 1.392 248 I CB 0.049 38.025 38.000 -0.040 0.000 1.065 248 I HN 0.011 nan 8.210 nan 0.000 0.418 249 D N -0.084 120.300 120.400 -0.027 0.000 2.097 249 D HA -0.167 4.473 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 1.838 55.825 54.000 -0.022 0.000 0.827 249 D CB -0.438 40.349 40.800 -0.022 0.000 0.966 249 D HN 0.514 nan 8.370 nan 0.000 0.456 250 S N 0.569 116.256 115.700 -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 0.528 58.717 58.200 -0.020 0.000 0.991 250 S CB -0.662 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 1.320 121.878 120.570 -0.021 0.000 2.226 251 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 251 I C 2.455 178.563 176.117 -0.014 0.000 1.100 251 I CA 1.262 62.550 61.300 -0.020 0.000 1.374 251 I CB -0.368 37.617 38.000 -0.026 0.000 1.057 251 I HN 0.278 nan 8.210 nan 0.000 0.413 252 I N 0.246 120.807 120.570 -0.015 0.000 2.226 252 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 252 I C 2.635 178.746 176.117 -0.009 0.000 1.100 252 I CA 1.116 62.409 61.300 -0.012 0.000 1.374 252 I CB -0.319 37.673 38.000 -0.013 0.000 1.057 252 I HN 0.242 nan 8.210 nan 0.000 0.413 253 E N 0.736 120.929 120.200 -0.012 0.000 2.058 253 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 253 E C 2.070 178.666 176.600 -0.007 0.000 0.997 253 E CA 1.370 57.764 56.400 -0.011 0.000 0.801 253 E CB -0.107 29.584 29.700 -0.014 0.000 0.746 253 E HN 0.398 nan 8.360 nan 0.000 0.450 254 E N 0.711 120.907 120.200 -0.007 0.000 2.158 254 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 254 E C 1.295 177.895 176.600 0.002 0.000 0.982 254 E CA 0.244 56.642 56.400 -0.003 0.000 0.823 254 E CB -0.249 29.448 29.700 -0.005 0.000 0.766 254 E HN 0.170 nan 8.360 nan 0.000 0.468 255 S N 0.621 116.323 115.700 0.002 0.000 2.634 255 S HA 0.088 4.558 4.470 -0.000 0.000 0.261 255 S C 0.625 175.233 174.600 0.012 0.000 1.271 255 S CA -0.442 57.763 58.200 0.009 0.000 0.985 255 S CB 1.080 64.284 63.200 0.008 0.000 0.968 255 S HN -0.102 nan 8.310 nan 0.000 0.568 256 D N 0.230 120.642 120.400 0.021 0.000 2.369 256 D HA 0.329 4.969 4.640 -0.000 0.000 0.211 256 D C 0.760 177.076 176.300 0.026 0.000 1.077 256 D CA 0.685 54.700 54.000 0.024 0.000 0.842 256 D CB 0.586 41.404 40.800 0.031 0.000 0.947 256 D HN 0.784 nan 8.370 nan 0.000 0.509 257 G N 0.262 109.075 108.800 0.022 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 -1.950 172.950 174.900 0.000 0.000 1.399 257 G CA -0.686 44.422 45.100 0.014 0.000 0.833 257 G HN -0.071 nan 8.290 nan 0.000 0.565 258 I N 0.560 121.118 120.570 -0.020 0.000 2.647 258 I HA 0.558 4.728 4.170 -0.000 0.000 0.295 258 I C -0.267 175.803 176.117 -0.078 0.000 1.078 258 I CA -0.751 60.527 61.300 -0.038 0.000 1.048 258 I CB 2.004 39.987 38.000 -0.028 0.000 1.239 258 I HN 0.605 nan 8.210 nan 0.000 0.421 259 M N 5.222 124.760 119.600 -0.103 0.000 2.294 259 M HA 0.421 4.901 4.480 -0.000 0.000 0.335 259 M C -1.187 175.067 176.300 -0.077 0.000 1.079 259 M CA -0.790 54.428 55.300 -0.138 0.000 0.982 259 M CB 1.763 34.216 32.600 -0.244 0.000 1.651 259 M HN 0.244 nan 8.290 nan 0.000 0.437 260 V N 4.892 124.770 119.914 -0.061 0.000 2.313 260 V HA 0.252 4.372 4.120 -0.000 0.000 0.252 260 V C 0.528 176.606 176.094 -0.026 0.000 1.112 260 V CA -0.465 61.816 62.300 -0.033 0.000 0.984 260 V CB 0.013 31.823 31.823 -0.022 0.000 1.157 260 V HN 0.871 nan 8.190 nan 0.000 0.493 261 A N 5.444 128.255 122.820 -0.013 0.000 2.922 261 A HA 0.332 4.652 4.320 -0.000 0.000 0.298 261 A C 1.474 179.071 177.584 0.021 0.000 1.588 261 A CA -0.330 51.708 52.037 0.002 0.000 1.288 261 A CB -0.305 18.707 19.000 0.020 0.000 1.130 261 A HN 0.837 nan 8.150 nan 0.000 0.557 262 R N 1.552 122.061 120.500 0.014 0.000 2.092 262 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 262 R C 2.298 178.617 176.300 0.032 0.000 1.119 262 R CA 1.438 57.551 56.100 0.021 0.000 0.970 262 R CB -0.094 30.215 30.300 0.014 0.000 0.864 262 R HN 0.690 nan 8.270 nan 0.000 0.440 263 G N 1.348 110.168 108.800 0.034 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 0.974 175.903 174.900 0.049 0.000 1.186 263 G CA 0.949 46.074 45.100 0.040 0.000 0.779 263 G HN 0.218 nan 8.290 nan 0.000 0.543 264 D N 0.240 120.673 120.400 0.054 0.000 2.117 264 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 264 D C 2.477 178.828 176.300 0.085 0.000 0.987 264 D CA 0.351 54.391 54.000 0.067 0.000 0.829 264 D CB -0.089 40.751 40.800 0.067 0.000 0.961 264 D HN 0.202 nan 8.370 nan 0.000 0.460 265 L N 0.951 122.220 121.223 0.076 0.000 2.083 265 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 265 L C 2.415 179.328 176.870 0.071 0.000 1.083 265 L CA 1.399 56.283 54.840 0.073 0.000 0.752 265 L CB -0.545 41.544 42.059 0.049 0.000 0.899 265 L HN 0.048 nan 8.230 nan 0.000 0.433 266 G N -0.868 107.969 108.800 0.061 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 1.489 176.434 174.900 0.076 0.000 1.146 266 G CA 1.019 46.154 45.100 0.057 0.000 0.769 266 G HN 0.336 nan 8.290 nan 0.000 0.547 267 V N 0.622 120.594 119.914 0.096 0.000 2.323 267 V HA -0.084 4.036 4.120 -0.000 0.000 0.244 267 V C 2.639 178.838 176.094 0.175 0.000 1.041 267 V CA 1.714 64.103 62.300 0.149 0.000 1.025 267 V CB -0.505 31.414 31.823 0.160 0.000 0.656 267 V HN 0.256 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 -0.009 4.341 4.350 -0.000 0.000 0.193 268 E C 0.443 177.114 176.600 0.117 0.000 0.988 268 E CA 0.952 57.423 56.400 0.118 0.000 0.804 268 E CB 0.093 29.876 29.700 0.138 0.000 0.745 268 E HN 0.471 nan 8.360 nan 0.000 0.458 269 I N 0.482 121.120 120.570 0.113 0.000 2.689 269 I HA 0.205 4.375 4.170 -0.000 0.000 0.299 269 I C -2.509 173.662 176.117 0.091 0.000 1.059 269 I CA -2.828 58.538 61.300 0.110 0.000 1.055 269 I CB 2.257 40.310 38.000 0.088 0.000 1.243 269 I HN -0.268 nan 8.210 nan 0.000 0.425 270 P HA 0.146 nan 4.420 nan 0.000 0.271 270 P C -0.100 177.228 177.300 0.047 0.000 1.216 270 P CA -0.172 62.966 63.100 0.062 0.000 0.776 270 P CB 0.885 32.617 31.700 0.053 0.000 0.881 271 A N 3.958 126.801 122.820 0.038 0.000 1.902 271 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 271 A C 1.839 179.436 177.584 0.022 0.000 1.181 271 A CA 1.468 53.523 52.037 0.029 0.000 0.623 271 A CB -1.070 17.943 19.000 0.021 0.000 0.818 271 A HN 0.667 nan 8.150 nan 0.000 0.443 272 E N 0.575 120.787 120.200 0.019 0.000 2.333 272 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 272 E C 1.426 178.035 176.600 0.016 0.000 1.007 272 E CA 1.522 57.931 56.400 0.016 0.000 0.845 272 E CB -0.265 29.443 29.700 0.013 0.000 0.766 272 E HN 0.598 nan 8.360 nan 0.000 0.507 273 K N 0.503 120.916 120.400 0.021 0.000 2.243 273 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 273 K C 2.113 178.721 176.600 0.013 0.000 1.051 273 K CA 0.648 56.946 56.287 0.018 0.000 0.970 273 K CB 0.168 32.683 32.500 0.025 0.000 0.755 273 K HN -0.067 nan 8.250 nan 0.000 0.465 274 V N 0.815 120.739 119.914 0.017 0.000 2.453 274 V HA -0.258 3.862 4.120 -0.000 0.000 0.252 274 V C 2.044 178.143 176.094 0.010 0.000 1.068 274 V CA 1.522 63.830 62.300 0.014 0.000 1.070 274 V CB -0.492 31.343 31.823 0.019 0.000 0.664 274 V HN 0.083 nan 8.190 nan 0.000 0.461 275 V N -0.297 119.623 119.914 0.011 0.000 2.295 275 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 275 V C 2.403 178.501 176.094 0.007 0.000 1.049 275 V CA 1.978 64.284 62.300 0.011 0.000 1.024 275 V CB -0.502 31.329 31.823 0.013 0.000 0.648 275 V HN 0.435 nan 8.190 nan 0.000 0.447 276 V N 0.442 120.358 119.914 0.003 0.000 2.343 276 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 276 V C 2.723 178.812 176.094 -0.007 0.000 1.051 276 V CA 1.955 64.254 62.300 -0.002 0.000 1.036 276 V CB -1.235 30.586 31.823 -0.004 0.000 0.654 276 V HN 0.551 nan 8.190 nan 0.000 0.451 277 A N -0.792 122.022 122.820 -0.009 0.000 1.933 277 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 277 A C 2.264 179.843 177.584 -0.009 0.000 1.175 277 A CA 2.136 54.164 52.037 -0.015 0.000 0.628 277 A CB -0.529 18.460 19.000 -0.018 0.000 0.814 277 A HN 0.599 nan 8.150 nan 0.000 0.444 278 Q N -0.273 119.526 119.800 -0.001 0.000 2.050 278 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 278 Q C 2.026 178.030 176.000 0.008 0.000 0.980 278 Q CA 1.928 57.733 55.803 0.004 0.000 0.840 278 Q CB -0.120 28.623 28.738 0.009 0.000 0.898 278 Q HN 0.684 nan 8.270 nan 0.000 0.424 279 K N -0.017 120.387 120.400 0.007 0.000 2.057 279 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 279 K C 2.058 178.658 176.600 0.000 0.000 1.049 279 K CA 1.463 57.755 56.287 0.007 0.000 0.931 279 K CB -0.120 32.381 32.500 0.001 0.000 0.714 279 K HN 0.245 nan 8.250 nan 0.000 0.440 280 I N 0.650 121.216 120.570 -0.007 0.000 2.202 280 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 280 I C 1.941 178.053 176.117 -0.008 0.000 1.091 280 I CA 0.932 62.225 61.300 -0.011 0.000 1.368 280 I CB -0.147 37.842 38.000 -0.018 0.000 1.058 280 I HN 0.038 nan 8.210 nan 0.000 0.410 281 L N 0.149 121.367 121.223 -0.009 0.000 2.093 281 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 281 L C 2.314 179.184 176.870 0.000 0.000 1.085 281 L CA 1.761 56.596 54.840 -0.009 0.000 0.755 281 L CB -0.579 41.471 42.059 -0.015 0.000 0.904 281 L HN 0.174 nan 8.230 nan 0.000 0.435 282 I N -1.599 118.978 120.570 0.011 0.000 2.252 282 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 282 I C 2.413 178.555 176.117 0.042 0.000 1.102 282 I CA 1.092 62.409 61.300 0.028 0.000 1.385 282 I CB -0.285 37.740 38.000 0.042 0.000 1.064 282 I HN 0.177 nan 8.210 nan 0.000 0.414 283 S N 0.521 116.241 115.700 0.033 0.000 2.368 283 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 283 S C 1.962 176.576 174.600 0.022 0.000 1.030 283 S CA 1.272 59.493 58.200 0.034 0.000 0.999 283 S CB -0.136 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 0.217 120.622 120.400 0.007 0.000 2.097 284 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 284 K C 2.303 178.903 176.600 0.001 0.000 1.049 284 K CA 1.230 57.517 56.287 -0.000 0.000 0.933 284 K CB -0.313 32.182 32.500 -0.008 0.000 0.717 284 K HN 0.354 nan 8.250 nan 0.000 0.442 285 C N 0.876 120.179 119.300 0.004 0.000 2.446 285 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 285 C C 2.181 177.172 174.990 0.001 0.000 1.275 285 C CA 0.779 59.798 59.018 0.001 0.000 1.727 285 C CB -1.208 26.532 27.740 0.001 0.000 2.010 285 C HN 0.544 nan 8.230 nan 0.000 0.486 286 N N 0.521 119.233 118.700 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 -0.013 0.000 1.024 286 N CA 1.204 54.266 53.050 0.021 0.000 0.852 286 N CB -0.129 38.430 38.487 0.119 0.000 1.003 286 N HN 0.280 nan 8.380 nan 0.000 0.424 287 V N 1.270 121.185 119.914 0.000 0.000 2.358 287 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 287 V C 2.175 178.252 176.094 -0.029 0.000 1.047 287 V CA 1.784 64.073 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 -0.415 122.393 122.820 -0.019 0.000 2.168 288 A HA 0.279 4.599 4.320 -0.000 0.000 0.215 288 A C 1.925 179.497 177.584 -0.020 0.000 1.152 288 A CA 1.009 53.037 52.037 -0.015 0.000 0.716 288 A CB -0.770 18.224 19.000 -0.010 0.000 0.794 288 A HN 1.286 nan 8.150 nan 0.000 0.465 289 G N -0.463 108.312 108.800 -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 -0.045 174.845 174.900 -0.017 0.000 1.047 289 G CA 0.784 45.859 45.100 -0.041 0.000 0.869 289 G HN 0.626 nan 8.290 nan 0.000 0.502 290 K N 0.330 120.723 120.400 -0.012 0.000 2.318 290 K HA 0.524 4.844 4.320 -0.000 0.000 0.249 290 K C -2.560 174.039 176.600 -0.002 0.000 0.942 290 K CA -2.252 54.034 56.287 -0.002 0.000 0.808 290 K CB 2.749 35.249 32.500 0.001 0.000 1.189 290 K HN -0.034 nan 8.250 nan 0.000 0.428 291 P HA 0.012 nan 4.420 nan 0.000 0.268 291 P C -0.911 176.387 177.300 -0.003 0.000 1.204 291 P CA -0.256 62.848 63.100 0.006 0.000 0.768 291 P CB 0.865 32.578 31.700 0.022 0.000 0.842 292 V N 4.988 124.897 119.914 -0.007 0.000 2.709 292 V HA 0.511 4.631 4.120 -0.000 0.000 0.308 292 V C -0.716 175.361 176.094 -0.028 0.000 1.062 292 V CA -0.957 61.332 62.300 -0.018 0.000 0.901 292 V CB 1.576 33.395 31.823 -0.006 0.000 1.003 292 V HN 0.295 nan 8.190 nan 0.000 0.425 293 I N 6.196 126.731 120.570 -0.058 0.000 2.433 293 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 293 I C -0.318 175.761 176.117 -0.063 0.000 1.001 293 I CA -0.388 60.868 61.300 -0.073 0.000 1.119 293 I CB 1.712 39.623 38.000 -0.148 0.000 1.289 293 I HN 0.622 nan 8.210 nan 0.000 0.438 294 C N 6.320 125.596 119.300 -0.040 0.000 2.285 294 C HA 0.864 5.324 4.460 -0.000 0.000 0.335 294 C C 0.394 175.366 174.990 -0.029 0.000 1.267 294 C CA -0.123 58.878 59.018 -0.028 0.000 1.762 294 C CB -0.642 27.091 27.740 -0.013 0.000 2.365 294 C HN 0.859 nan 8.230 nan 0.000 0.527 295 A N 4.818 127.621 122.820 -0.028 0.000 2.401 295 A HA 0.919 5.239 4.320 -0.000 0.000 0.310 295 A C -0.171 177.411 177.584 -0.003 0.000 1.075 295 A CA -0.141 51.884 52.037 -0.021 0.000 0.746 295 A CB 1.032 20.009 19.000 -0.038 0.000 1.277 295 A HN 1.335 nan 8.150 nan 0.000 0.425 296 T N 1.341 115.898 114.554 0.005 0.000 0.554 296 T HA -0.086 4.264 4.350 -0.000 0.000 0.772 296 T C 0.105 174.811 174.700 0.010 0.000 0.992 296 T CA 0.487 62.595 62.100 0.014 0.000 4.069 296 T CB -1.131 67.749 68.868 0.021 0.000 2.299 296 T HN 1.487 nan 8.240 nan 0.000 0.397 297 Q N 0.092 119.897 119.800 0.009 0.000 2.452 297 Q HA -0.271 4.069 4.340 -0.000 0.000 0.248 297 Q C 1.555 177.554 176.000 -0.003 0.000 0.874 297 Q CA 1.517 57.324 55.803 0.006 0.000 1.208 297 Q CB -1.078 27.669 28.738 0.014 0.000 1.569 297 Q HN 0.817 nan 8.270 nan 0.000 0.579 298 M N -0.488 119.109 119.600 -0.006 0.000 2.117 298 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 298 M C 1.066 177.353 176.300 -0.022 0.000 1.065 298 M CA 1.521 56.815 55.300 -0.011 0.000 1.114 298 M CB 0.166 32.761 32.600 -0.008 0.000 1.361 298 M HN 0.235 nan 8.290 nan 0.000 0.408 299 L N -0.388 120.817 121.223 -0.030 0.000 2.913 299 L HA 0.158 4.498 4.340 -0.000 0.000 0.283 299 L C 1.031 177.861 176.870 -0.068 0.000 1.336 299 L CA -0.332 54.475 54.840 -0.054 0.000 0.815 299 L CB 0.460 42.484 42.059 -0.058 0.000 1.188 299 L HN 0.086 nan 8.230 nan 0.000 0.551 300 E N 0.947 121.118 120.200 -0.048 0.000 2.118 300 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 300 E C 2.090 178.636 176.600 -0.090 0.000 0.992 300 E CA 2.005 58.373 56.400 -0.053 0.000 0.804 300 E CB 0.277 29.980 29.700 0.006 0.000 0.741 300 E HN 0.538 nan 8.360 nan 0.000 0.458 301 S N -0.542 115.144 115.700 -0.024 0.000 2.474 301 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 301 S C 1.822 176.395 174.600 -0.045 0.000 0.997 301 S CA 0.816 59.049 58.200 0.056 0.000 0.949 301 S CB -0.179 63.062 63.200 0.068 0.000 0.766 301 S HN 0.285 nan 8.310 nan 0.000 0.517 302 M N 1.473 120.994 119.600 -0.131 0.000 2.618 302 M HA 0.051 4.531 4.480 -0.000 0.000 0.240 302 M C 1.383 177.606 176.300 -0.130 0.000 1.123 302 M CA 0.517 55.748 55.300 -0.115 0.000 1.060 302 M CB -0.476 32.047 32.600 -0.128 0.000 1.535 302 M HN 0.381 nan 8.290 nan 0.000 0.507 303 T N -0.274 114.033 114.554 -0.411 0.000 2.833 303 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 303 T C 0.840 175.211 174.700 -0.548 0.000 1.054 303 T CA 1.409 63.136 62.100 -0.622 0.000 1.135 303 T CB -0.161 68.069 68.868 -1.063 0.000 0.869 303 T HN 0.520 nan 8.240 nan 0.000 0.466 304 Y N 0.044 120.416 120.300 0.120 0.000 2.432 304 Y HA 0.448 4.998 4.550 -0.000 0.000 0.252 304 Y C 0.620 176.682 175.900 0.269 0.000 1.097 304 Y CA -1.220 56.969 58.100 0.148 0.000 1.250 304 Y CB -0.116 38.386 38.460 0.070 0.000 1.245 304 Y HN 0.082 nan 8.280 nan 0.000 0.522 305 N N 2.617 121.483 118.700 0.277 0.000 2.292 305 N HA 0.217 4.957 4.740 -0.000 0.000 0.303 305 N C -2.261 173.036 175.510 -0.355 0.000 1.140 305 N CA -2.042 51.053 53.050 0.075 0.000 0.788 305 N CB 2.097 40.601 38.487 0.027 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 -0.247 176.817 177.300 -0.394 0.000 1.150 306 P CA 1.256 63.856 63.100 -0.833 0.000 0.800 306 P CB 0.559 31.934 31.700 -0.541 0.000 0.787 307 R N -0.216 120.108 120.500 -0.293 0.000 2.744 307 R HA 0.484 4.824 4.340 -0.000 0.000 0.279 307 R C -2.540 173.570 176.300 -0.318 0.000 0.977 307 R CA -2.208 53.705 56.100 -0.312 0.000 0.906 307 R CB 2.058 32.264 30.300 -0.157 0.000 1.197 307 R HN -0.020 nan 8.270 nan 0.000 0.463 308 P HA 0.076 nan 4.420 nan 0.000 0.278 308 P C -0.496 176.701 177.300 -0.172 0.000 1.258 308 P CA -0.453 62.464 63.100 -0.305 0.000 0.811 308 P CB 0.916 32.374 31.700 -0.404 0.000 1.063 309 T N -0.504 113.988 114.554 -0.104 0.000 2.813 309 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 309 T C 1.506 176.177 174.700 -0.048 0.000 1.036 309 T CA -0.531 61.533 62.100 -0.059 0.000 1.044 309 T CB 0.433 69.282 68.868 -0.032 0.000 0.993 309 T HN 0.185 nan 8.240 nan 0.000 0.535 310 R N 1.505 121.989 120.500 -0.026 0.000 2.081 310 R HA -0.004 4.336 4.340 -0.000 0.000 0.235 310 R C 2.722 179.018 176.300 -0.006 0.000 1.131 310 R CA 1.591 57.684 56.100 -0.012 0.000 0.960 310 R CB -1.854 28.445 30.300 -0.003 0.000 0.856 310 R HN 0.867 nan 8.270 nan 0.000 0.436 311 A N 1.338 124.154 122.820 -0.007 0.000 1.933 311 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 311 A C 2.079 179.659 177.584 -0.007 0.000 1.175 311 A CA 1.487 53.523 52.037 -0.002 0.000 0.628 311 A CB -0.319 18.680 19.000 -0.001 0.000 0.814 311 A HN 0.380 nan 8.150 nan 0.000 0.444 312 E N -0.541 119.647 120.200 -0.020 0.000 2.047 312 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 312 E C 1.986 178.571 176.600 -0.026 0.000 0.987 312 E CA 1.248 57.631 56.400 -0.028 0.000 0.799 312 E CB -0.236 29.433 29.700 -0.051 0.000 0.752 312 E HN 0.365 nan 8.360 nan 0.000 0.449 313 V N 0.912 120.811 119.914 -0.025 0.000 2.295 313 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 313 V C 2.458 178.552 176.094 -0.000 0.000 1.049 313 V CA 1.972 64.269 62.300 -0.004 0.000 1.024 313 V CB -0.534 31.298 31.823 0.015 0.000 0.648 313 V HN 0.322 nan 8.190 nan 0.000 0.447 314 S N -0.077 115.627 115.700 0.008 0.000 2.383 314 S HA -0.289 4.181 4.470 -0.000 0.000 0.229 314 S C 1.867 176.474 174.600 0.011 0.000 1.030 314 S CA 2.185 60.399 58.200 0.022 0.000 1.002 314 S CB -0.493 62.727 63.200 0.033 0.000 0.829 314 S HN 0.698 nan 8.310 nan 0.000 0.467 315 D N 0.379 120.780 120.400 0.002 0.000 2.097 315 D HA -0.083 4.557 4.640 -0.000 0.000 0.195 315 D C 1.901 178.187 176.300 -0.024 0.000 0.989 315 D CA 1.513 55.511 54.000 -0.003 0.000 0.827 315 D CB -0.329 40.469 40.800 -0.003 0.000 0.966 315 D HN 0.330 nan 8.370 nan 0.000 0.456 316 V N 0.740 120.633 119.914 -0.034 0.000 2.343 316 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 316 V C 2.575 178.601 176.094 -0.114 0.000 1.051 316 V CA 1.727 63.996 62.300 -0.052 0.000 1.036 316 V CB -0.991 30.812 31.823 -0.032 0.000 0.654 316 V HN 0.323 nan 8.190 nan 0.000 0.451 317 A N 0.546 123.275 122.820 -0.152 0.000 1.877 317 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 317 A C 2.101 179.371 177.584 -0.522 0.000 1.186 317 A CA 1.967 53.792 52.037 -0.353 0.000 0.620 317 A CB -0.676 18.169 19.000 -0.259 0.000 0.822 317 A HN 0.590 nan 8.150 nan 0.000 0.443 318 N N 0.420 119.027 118.700 -0.155 0.000 2.223 318 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 318 N C 1.880 177.406 175.510 0.028 0.000 1.016 318 N CA 1.358 54.443 53.050 0.058 0.000 0.863 318 N CB -0.442 38.124 38.487 0.132 0.000 0.983 318 N HN 0.494 nan 8.380 nan 0.000 0.429 319 A N 0.927 123.729 122.820 -0.030 0.000 1.933 319 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 319 A C 2.526 180.109 177.584 -0.003 0.000 1.175 319 A CA 1.186 53.219 52.037 -0.007 0.000 0.628 319 A CB -0.671 18.319 19.000 -0.018 0.000 0.814 319 A HN 0.102 nan 8.150 nan 0.000 0.444 320 V N -0.974 118.889 119.914 -0.085 0.000 2.343 320 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 320 V C 2.311 178.453 176.094 0.080 0.000 1.051 320 V CA 1.907 64.168 62.300 -0.064 0.000 1.036 320 V CB -1.065 30.645 31.823 -0.189 0.000 0.654 320 V HN 0.528 nan 8.190 nan 0.000 0.451 321 F N 0.908 120.908 119.950 0.084 0.000 2.171 321 F HA -0.114 4.413 4.527 0.000 0.000 0.300 321 F C 2.232 178.077 175.800 0.074 0.000 1.090 321 F CA 1.064 59.114 58.000 0.083 0.000 1.293 321 F CB -1.395 37.632 39.000 0.045 0.000 1.013 321 F HN 0.253 nan 8.300 nan 0.000 0.486 322 N N -0.720 118.120 118.700 0.233 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 0.182 0.000 1.016 322 N CA 0.810 53.946 53.050 0.143 0.000 0.872 322 N CB -0.165 38.379 38.487 0.095 0.000 0.973 322 N HN 0.396 nan 8.380 nan 0.000 0.433 323 G N -0.150 108.808 108.800 0.263 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 -0.003 174.991 174.900 0.156 0.000 1.000 323 G CA -0.068 45.243 45.100 0.352 0.000 0.664 323 G HN 0.475 nan 8.290 nan 0.000 0.513 324 A N 0.059 122.935 122.820 0.093 0.000 2.477 324 A HA 0.564 4.884 4.320 -0.000 0.000 0.246 324 A C 1.085 178.680 177.584 0.018 0.000 1.078 324 A CA 1.044 53.105 52.037 0.040 0.000 0.770 324 A CB 0.219 19.232 19.000 0.022 0.000 1.011 324 A HN 0.293 nan 8.150 nan 0.000 0.494 325 D N 0.350 120.753 120.400 0.006 0.000 2.117 325 D HA -0.022 4.618 4.640 -0.000 0.000 0.197 325 D C 0.131 176.436 176.300 0.008 0.000 0.987 325 D CA 1.624 55.626 54.000 0.002 0.000 0.829 325 D CB -0.007 40.795 40.800 0.003 0.000 0.961 325 D HN 0.552 nan 8.370 nan 0.000 0.460 326 C N -0.039 119.263 119.300 0.004 0.000 2.712 326 C HA 0.688 5.148 4.460 -0.000 0.000 0.308 326 C C -0.192 174.796 174.990 -0.003 0.000 1.201 326 C CA -1.222 57.800 59.018 0.007 0.000 1.554 326 C CB 1.479 29.227 27.740 0.013 0.000 2.117 326 C HN 0.128 nan 8.230 nan 0.000 0.480 327 V N 0.693 120.609 119.914 0.003 0.000 2.919 327 V HA 0.834 4.954 4.120 -0.000 0.000 0.316 327 V C -0.575 175.526 176.094 0.011 0.000 1.077 327 V CA -0.690 61.610 62.300 -0.001 0.000 0.977 327 V CB 1.774 33.594 31.823 -0.005 0.000 1.039 327 V HN 1.006 nan 8.190 nan 0.000 0.441 328 M N 2.864 122.469 119.600 0.009 0.000 2.518 328 M HA 0.744 5.224 4.480 -0.000 0.000 0.300 328 M C -2.124 174.193 176.300 0.028 0.000 1.175 328 M CA -0.628 54.687 55.300 0.024 0.000 0.890 328 M CB 2.250 34.856 32.600 0.011 0.000 1.710 328 M HN 0.744 nan 8.290 nan 0.000 0.453 329 L N 2.432 123.681 121.223 0.043 0.000 2.362 329 L HA 0.550 4.890 4.340 -0.000 0.000 0.275 329 L C -0.199 176.699 176.870 0.047 0.000 0.998 329 L CA -0.285 54.577 54.840 0.035 0.000 0.820 329 L CB 2.188 44.267 42.059 0.034 0.000 1.270 329 L HN 0.851 nan 8.230 nan 0.000 0.415 330 S N 1.063 116.782 115.700 0.032 0.000 3.026 330 S HA 0.152 4.622 4.470 -0.000 0.000 0.169 330 S C 1.570 176.183 174.600 0.021 0.000 0.680 330 S CA 0.470 58.696 58.200 0.042 0.000 0.826 330 S CB -0.095 63.132 63.200 0.044 0.000 0.779 330 S HN 0.866 nan 8.310 nan 0.000 0.664 331 G N 1.240 110.039 108.800 -0.002 0.000 2.422 331 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 331 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 331 G C 1.037 175.904 174.900 -0.056 0.000 1.140 331 G CA 0.879 45.961 45.100 -0.031 0.000 0.775 331 G HN 0.499 nan 8.290 nan 0.000 0.545 332 E N 0.246 120.410 120.200 -0.061 0.000 2.160 332 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 332 E C 2.714 179.296 176.600 -0.031 0.000 0.991 332 E CA 1.751 58.106 56.400 -0.075 0.000 0.810 332 E CB -0.229 29.437 29.700 -0.057 0.000 0.742 332 E HN 0.605 nan 8.360 nan 0.000 0.466 333 T N -2.850 111.701 114.554 -0.004 0.000 3.023 333 T HA 0.358 4.708 4.350 -0.000 0.000 0.249 333 T C 1.973 176.684 174.700 0.018 0.000 1.050 333 T CA 0.265 62.374 62.100 0.015 0.000 1.088 333 T CB 0.120 69.010 68.868 0.036 0.000 0.946 333 T HN 0.130 nan 8.240 nan 0.000 0.480 334 A N 3.318 126.147 122.820 0.014 0.000 1.873 334 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 334 A C 2.187 179.768 177.584 -0.005 0.000 1.186 334 A CA 1.547 53.594 52.037 0.016 0.000 0.616 334 A CB -0.341 18.663 19.000 0.006 0.000 0.823 334 A HN 0.724 nan 8.150 nan 0.000 0.442 335 K N -1.270 119.113 120.400 -0.027 0.000 2.477 335 K HA 0.307 4.627 4.320 -0.000 0.000 0.208 335 K C 0.681 177.256 176.600 -0.041 0.000 1.117 335 K CA 0.244 56.511 56.287 -0.032 0.000 1.039 335 K CB 0.154 32.632 32.500 -0.037 0.000 0.937 335 K HN 0.248 nan 8.250 nan 0.000 0.570 336 G N 1.502 110.267 108.800 -0.059 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 0.169 175.008 174.900 -0.101 0.000 1.206 336 G CA -0.539 44.508 45.100 -0.088 0.000 0.861 336 G HN 0.063 nan 8.290 nan 0.000 0.561 337 K N -0.411 119.892 120.400 -0.162 0.000 2.097 337 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 337 K C -0.147 176.127 176.600 -0.542 0.000 1.050 337 K CA 1.223 57.268 56.287 -0.404 0.000 0.938 337 K CB -0.021 32.115 32.500 -0.608 0.000 0.718 337 K HN 0.577 nan 8.250 nan 0.000 0.442 338 Y N -0.480 119.809 120.300 -0.019 0.000 2.562 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.363 338 Y C -2.112 173.787 175.900 -0.001 0.000 0.991 338 Y CA -2.165 55.934 58.100 -0.002 0.000 1.121 338 Y CB 1.040 39.502 38.460 0.003 0.000 1.159 338 Y HN 0.035 nan 8.280 nan 0.000 0.651 339 P HA -0.133 nan 4.420 nan 0.000 0.215 339 P C 1.122 178.469 177.300 0.079 0.000 1.157 339 P CA 1.555 64.694 63.100 0.065 0.000 0.863 339 P CB 0.508 32.228 31.700 0.035 0.000 0.787 340 N N -0.143 118.607 118.700 0.083 0.000 2.120 340 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 340 N C 1.621 177.187 175.510 0.093 0.000 1.024 340 N CA 1.293 54.389 53.050 0.077 0.000 0.852 340 N CB -0.672 37.855 38.487 0.067 0.000 1.003 340 N HN 0.228 nan 8.380 nan 0.000 0.424 341 E N 0.694 120.971 120.200 0.129 0.000 2.110 341 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 341 E C 1.994 178.692 176.600 0.164 0.000 0.988 341 E CA 0.306 56.790 56.400 0.141 0.000 0.804 341 E CB -0.419 29.366 29.700 0.142 0.000 0.745 341 E HN 0.055 nan 8.360 nan 0.000 0.458 342 V N 0.005 119.997 119.914 0.130 0.000 2.343 342 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 342 V C 2.001 178.160 176.094 0.108 0.000 1.051 342 V CA 1.417 63.777 62.300 0.099 0.000 1.036 342 V CB -0.095 31.756 31.823 0.048 0.000 0.654 342 V HN 0.149 nan 8.190 nan 0.000 0.451 343 V N -0.322 119.644 119.914 0.086 0.000 2.343 343 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 343 V C 2.448 178.584 176.094 0.070 0.000 1.051 343 V CA 2.467 64.809 62.300 0.070 0.000 1.036 343 V CB -0.709 31.149 31.823 0.058 0.000 0.654 343 V HN 0.604 nan 8.190 nan 0.000 0.451 344 Q N -1.545 118.297 119.800 0.069 0.000 2.124 344 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 344 Q C 2.181 178.186 176.000 0.009 0.000 0.977 344 Q CA 2.030 57.849 55.803 0.027 0.000 0.850 344 Q CB -0.230 28.511 28.738 0.006 0.000 0.901 344 Q HN 0.707 nan 8.270 nan 0.000 0.429 345 Y N 0.127 120.420 120.300 -0.011 0.000 2.181 345 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 345 Y C 2.267 178.154 175.900 -0.022 0.000 1.146 345 Y CA 1.541 59.628 58.100 -0.021 0.000 1.164 345 Y CB -0.045 38.398 38.460 -0.029 0.000 0.982 345 Y HN 0.126 nan 8.280 nan 0.000 0.515 346 M N -1.021 118.673 119.600 0.156 0.000 2.117 346 M HA -0.199 4.281 4.480 -0.000 0.000 0.262 346 M C 2.286 178.608 176.300 0.036 0.000 1.065 346 M CA 1.852 57.200 55.300 0.080 0.000 1.114 346 M CB -0.147 32.486 32.600 0.054 0.000 1.361 346 M HN 0.276 nan 8.290 nan 0.000 0.408 347 A N 0.290 123.125 122.820 0.026 0.000 1.902 347 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 347 A C 2.138 179.711 177.584 -0.018 0.000 1.181 347 A CA 1.925 53.964 52.037 0.004 0.000 0.623 347 A CB -0.773 18.232 19.000 0.008 0.000 0.818 347 A HN 0.613 nan 8.150 nan 0.000 0.443 348 R N -0.216 120.263 120.500 -0.035 0.000 2.081 348 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 348 R C 1.893 178.167 176.300 -0.044 0.000 1.131 348 R CA 1.759 57.821 56.100 -0.064 0.000 0.960 348 R CB -0.407 29.808 30.300 -0.142 0.000 0.856 348 R HN 0.531 nan 8.270 nan 0.000 0.436 349 I N 0.193 120.755 120.570 -0.013 0.000 2.286 349 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 349 I C 2.459 178.542 176.117 -0.056 0.000 1.115 349 I CA 0.921 62.213 61.300 -0.014 0.000 1.392 349 I CB -0.273 37.738 38.000 0.018 0.000 1.065 349 I HN 0.323 nan 8.210 nan 0.000 0.418 350 C N 0.100 119.369 119.300 -0.053 0.000 2.429 350 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 350 C C 2.682 177.627 174.990 -0.076 0.000 1.262 350 C CA 0.374 59.348 59.018 -0.074 0.000 1.733 350 C CB -0.827 26.884 27.740 -0.048 0.000 2.010 350 C HN 0.455 nan 8.230 nan 0.000 0.483 351 L N 1.282 122.468 121.223 -0.062 0.000 2.056 351 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 351 L C 2.474 179.315 176.870 -0.049 0.000 1.078 351 L CA 1.988 56.787 54.840 -0.068 0.000 0.749 351 L CB -1.088 40.938 42.059 -0.055 0.000 0.901 351 L HN 0.306 nan 8.230 nan 0.000 0.433 352 E N -0.348 119.830 120.200 -0.036 0.000 2.077 352 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 352 E C 2.140 178.752 176.600 0.020 0.000 0.989 352 E CA 1.498 57.894 56.400 -0.008 0.000 0.800 352 E CB -0.283 29.411 29.700 -0.011 0.000 0.746 352 E HN 0.437 nan 8.360 nan 0.000 0.452 353 A N 0.462 123.258 122.820 -0.040 0.000 1.972 353 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 353 A C 2.212 179.852 177.584 0.095 0.000 1.169 353 A CA 1.684 53.675 52.037 -0.077 0.000 0.635 353 A CB -0.643 18.060 19.000 -0.494 0.000 0.810 353 A HN 0.421 nan 8.150 nan 0.000 0.446 354 Q N -0.134 119.679 119.800 0.021 0.000 2.124 354 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 354 Q C 2.176 178.228 176.000 0.086 0.000 0.977 354 Q CA 1.703 57.528 55.803 0.036 0.000 0.850 354 Q CB -0.107 28.587 28.738 -0.074 0.000 0.901 354 Q HN 0.658 nan 8.270 nan 0.000 0.429 355 S N 0.368 116.116 115.700 0.080 0.000 2.368 355 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 355 S C 1.921 176.623 174.600 0.169 0.000 1.030 355 S CA 1.050 59.311 58.200 0.102 0.000 0.999 355 S CB -0.254 62.993 63.200 0.079 0.000 0.844 355 S HN 0.552 nan 8.310 nan 0.000 0.459 356 A N 0.582 123.540 122.820 0.229 0.000 2.067 356 A HA 0.165 4.485 4.320 -0.000 0.000 0.219 356 A C 0.880 178.667 177.584 0.339 0.000 1.158 356 A CA 0.337 52.542 52.037 0.280 0.000 0.661 356 A CB -0.396 18.803 19.000 0.332 0.000 0.801 356 A HN 0.383 nan 8.150 nan 0.000 0.452 357 L N 0.799 122.231 121.223 0.348 0.000 2.455 357 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 357 L C 0.073 177.089 176.870 0.244 0.000 1.174 357 L CA -0.015 55.019 54.840 0.323 0.000 0.869 357 L CB 0.196 42.452 42.059 0.327 0.000 1.130 357 L HN 0.224 nan 8.230 nan 0.000 0.474 358 N N 3.095 121.873 118.700 0.130 0.000 2.602 358 N HA 0.073 4.813 4.740 -0.000 0.000 0.238 358 N C 0.605 176.244 175.510 0.215 0.000 1.084 358 N CA 0.002 53.086 53.050 0.057 0.000 0.952 358 N CB 0.599 38.915 38.487 -0.285 0.000 1.244 358 N HN 0.658 nan 8.380 nan 0.000 0.512 359 E N 1.209 121.586 120.200 0.296 0.000 2.153 359 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 359 E C 0.841 177.666 176.600 0.375 0.000 0.988 359 E CA 1.103 57.721 56.400 0.363 0.000 0.811 359 E CB -0.064 29.858 29.700 0.370 0.000 0.746 359 E HN 0.605 nan 8.360 nan 0.000 0.466 360 Y N 0.354 120.727 120.300 0.122 0.000 2.145 360 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 360 Y C 2.062 177.959 175.900 -0.004 0.000 1.145 360 Y CA 1.112 59.120 58.100 -0.153 0.000 1.148 360 Y CB -0.285 38.030 38.460 -0.241 0.000 0.981 360 Y HN -0.140 nan 8.280 nan 0.000 0.507 361 V N -0.235 119.683 119.914 0.006 0.000 2.343 361 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 361 V C 2.237 178.307 176.094 -0.039 0.000 1.051 361 V CA 2.100 64.344 62.300 -0.094 0.000 1.036 361 V CB -0.900 30.870 31.823 -0.088 0.000 0.654 361 V HN 0.486 nan 8.190 nan 0.000 0.451 362 F N -0.507 119.416 119.950 -0.045 0.000 2.126 362 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 362 F C 2.216 178.037 175.800 0.035 0.000 1.096 362 F CA 1.909 59.911 58.000 0.003 0.000 1.255 362 F CB -0.176 38.863 39.000 0.064 0.000 0.997 362 F HN 0.273 nan 8.300 nan 0.000 0.479 363 F N 1.537 121.559 119.950 0.121 0.000 2.102 363 F HA -0.241 4.286 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 1.778 59.812 58.000 0.057 0.000 1.239 363 F CB -1.072 37.918 39.000 -0.018 0.000 0.991 363 F HN -0.119 nan 8.300 nan 0.000 0.474 364 N N 0.334 118.735 118.700 -0.498 0.000 2.166 364 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 364 N C 2.022 177.365 175.510 -0.280 0.000 1.019 364 N CA 1.577 54.295 53.050 -0.554 0.000 0.856 364 N CB -0.623 37.556 38.487 -0.514 0.000 0.993 364 N HN 0.302 nan 8.380 nan 0.000 0.426 365 S N 1.204 116.809 115.700 -0.159 0.000 2.368 365 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 365 S C 2.139 176.707 174.600 -0.054 0.000 1.030 365 S CA 0.599 58.738 58.200 -0.101 0.000 0.999 365 S CB -0.152 62.986 63.200 -0.103 0.000 0.844 365 S HN 0.228 nan 8.310 nan 0.000 0.459 366 I N 1.520 122.094 120.570 0.006 0.000 2.226 366 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 366 I C 2.474 178.592 176.117 0.001 0.000 1.100 366 I CA 1.191 62.496 61.300 0.008 0.000 1.374 366 I CB -0.163 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 1.115 121.517 120.400 0.004 0.000 2.057 367 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 367 K C 2.017 178.602 176.600 -0.025 0.000 1.049 367 K CA 1.316 57.626 56.287 0.038 0.000 0.931 367 K CB 0.070 32.434 32.500 -0.225 0.000 0.714 367 K HN 0.148 nan 8.250 nan 0.000 0.440 368 K N 0.484 120.839 120.400 -0.075 0.000 2.209 368 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 368 K C 1.932 178.515 176.600 -0.029 0.000 1.048 368 K CA 0.980 57.230 56.287 -0.061 0.000 0.940 368 K CB -0.085 32.369 32.500 -0.076 0.000 0.729 368 K HN 0.280 nan 8.250 nan 0.000 0.451 369 L N 1.306 122.520 121.223 -0.015 0.000 2.554 369 L HA -0.031 4.309 4.340 -0.000 0.000 0.226 369 L C 0.590 177.477 176.870 0.028 0.000 1.137 369 L CA 0.177 55.017 54.840 0.001 0.000 0.863 369 L CB -0.036 42.020 42.059 -0.006 0.000 0.985 369 L HN 0.066 nan 8.230 nan 0.000 0.451 370 Q N -0.131 119.696 119.800 0.045 0.000 2.293 370 Q HA 0.098 4.438 4.340 -0.000 0.000 0.251 370 Q C -0.408 175.641 176.000 0.082 0.000 0.930 370 Q CA -0.207 55.645 55.803 0.081 0.000 0.893 370 Q CB 0.786 29.594 28.738 0.117 0.000 1.215 370 Q HN 0.167 nan 8.270 nan 0.000 0.425 371 H N 1.447 120.524 119.070 0.011 0.000 2.848 371 H HA 0.208 4.764 4.556 -0.000 0.000 0.341 371 H C -0.932 174.398 175.328 0.003 0.000 1.060 371 H CA 0.022 56.072 56.048 0.003 0.000 1.444 371 H CB 0.351 30.113 29.762 0.001 0.000 1.446 371 H HN 0.308 nan 8.280 nan 0.000 0.583 372 I N 7.781 127.970 120.570 -0.635 0.000 2.436 372 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 372 I C -1.830 173.943 176.117 -0.573 0.000 1.010 372 I CA -2.743 58.286 61.300 -0.452 0.000 1.098 372 I CB 1.182 39.053 38.000 -0.215 0.000 1.266 372 I HN 0.752 nan 8.210 nan 0.000 0.434 373 P HA 0.489 nan 4.420 nan 0.000 0.297 373 P C -0.289 176.964 177.300 -0.078 0.000 1.303 373 P CA -0.279 62.721 63.100 -0.165 0.000 0.753 373 P CB 1.195 32.856 31.700 -0.066 0.000 1.281 374 M N -1.369 118.241 119.600 0.016 0.000 2.599 374 M HA 0.230 4.710 4.480 -0.000 0.000 0.173 374 M C 0.209 176.533 176.300 0.040 0.000 2.093 374 M CA -0.120 55.236 55.300 0.094 0.000 1.278 374 M CB -0.039 32.612 32.600 0.086 0.000 1.354 374 M HN 0.441 nan 8.290 nan 0.000 0.619 375 S N -0.204 115.500 115.700 0.006 0.000 2.535 375 S HA 0.724 5.194 4.470 -0.000 0.000 0.272 375 S C 0.131 174.700 174.600 -0.053 0.000 1.149 375 S CA -0.288 57.886 58.200 -0.044 0.000 0.888 375 S CB 1.759 64.924 63.200 -0.060 0.000 1.110 375 S HN 0.493 nan 8.310 nan 0.000 0.463 376 A N 2.376 125.142 122.820 -0.091 0.000 1.892 376 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 376 A C 1.870 179.462 177.584 0.014 0.000 1.188 376 A CA 2.331 54.347 52.037 -0.035 0.000 0.631 376 A CB -1.255 17.739 19.000 -0.011 0.000 0.822 376 A HN 1.022 nan 8.150 nan 0.000 0.447 377 D N -0.260 120.134 120.400 -0.010 0.000 2.144 377 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 377 D C 1.711 178.038 176.300 0.045 0.000 0.984 377 D CA 1.501 55.551 54.000 0.083 0.000 0.834 377 D CB -0.772 40.107 40.800 0.131 0.000 0.955 377 D HN 0.691 nan 8.370 nan 0.000 0.465 378 E N 0.916 121.132 120.200 0.026 0.000 2.077 378 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 378 E C 2.143 178.730 176.600 -0.022 0.000 0.989 378 E CA 1.263 57.693 56.400 0.049 0.000 0.800 378 E CB -0.174 29.578 29.700 0.085 0.000 0.746 378 E HN 0.292 nan 8.360 nan 0.000 0.452 379 A N 0.235 123.038 122.820 -0.028 0.000 1.933 379 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 379 A C 2.401 179.945 177.584 -0.068 0.000 1.175 379 A CA 1.350 53.352 52.037 -0.058 0.000 0.628 379 A CB -0.625 18.355 19.000 -0.034 0.000 0.814 379 A HN 0.236 nan 8.150 nan 0.000 0.444 380 V N -0.815 119.079 119.914 -0.034 0.000 2.295 380 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 380 V C 2.666 178.725 176.094 -0.059 0.000 1.049 380 V CA 2.153 64.433 62.300 -0.034 0.000 1.024 380 V CB -0.878 30.945 31.823 -0.000 0.000 0.648 380 V HN 0.732 nan 8.190 nan 0.000 0.447 381 C N -0.456 118.810 119.300 -0.057 0.000 2.446 381 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 381 C C 3.282 178.159 174.990 -0.189 0.000 1.275 381 C CA 1.429 60.407 59.018 -0.067 0.000 1.727 381 C CB -0.981 26.777 27.740 0.029 0.000 2.010 381 C HN 0.705 nan 8.230 nan 0.000 0.486 382 S N 1.591 117.042 115.700 -0.415 0.000 2.355 382 S HA -0.174 4.296 4.470 -0.000 0.000 0.222 382 S C 2.083 176.623 174.600 -0.100 0.000 1.031 382 S CA 2.437 60.297 58.200 -0.567 0.000 0.993 382 S CB -0.664 62.066 63.200 -0.784 0.000 0.859 382 S HN 0.723 nan 8.310 nan 0.000 0.453 383 S N 1.668 117.321 115.700 -0.078 0.000 2.399 383 S HA 0.086 4.556 4.470 -0.000 0.000 0.231 383 S C 2.114 176.703 174.600 -0.018 0.000 1.022 383 S CA 1.197 59.395 58.200 -0.002 0.000 0.983 383 S CB -0.984 62.204 63.200 -0.020 0.000 0.803 383 S HN 0.827 nan 8.310 nan 0.000 0.480 384 A N 1.250 124.034 122.820 -0.061 0.000 1.933 384 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 384 A C 2.406 179.934 177.584 -0.094 0.000 1.175 384 A CA 1.626 53.619 52.037 -0.073 0.000 0.628 384 A CB -1.082 17.872 19.000 -0.077 0.000 0.814 384 A HN 0.499 nan 8.150 nan 0.000 0.444 385 V N 1.229 121.064 119.914 -0.131 0.000 2.407 385 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 385 V C 2.474 178.430 176.094 -0.230 0.000 1.055 385 V CA 2.067 64.219 62.300 -0.248 0.000 1.049 385 V CB -0.990 30.611 31.823 -0.371 0.000 0.662 385 V HN 0.787 nan 8.190 nan 0.000 0.455 386 N N 0.015 118.673 118.700 -0.071 0.000 2.166 386 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 386 N C 1.945 177.535 175.510 0.133 0.000 1.019 386 N CA 1.713 54.877 53.050 0.190 0.000 0.856 386 N CB 0.036 38.726 38.487 0.338 0.000 0.993 386 N HN 0.426 nan 8.380 nan 0.000 0.426 387 S N 0.054 115.771 115.700 0.029 0.000 2.382 387 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 387 S C 2.063 176.637 174.600 -0.042 0.000 1.027 387 S CA 0.771 58.961 58.200 -0.017 0.000 0.991 387 S CB -0.109 63.054 63.200 -0.061 0.000 0.823 387 S HN 0.197 nan 8.310 nan 0.000 0.469 388 V N 0.386 120.245 119.914 -0.091 0.000 2.295 388 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 388 V C 1.884 177.891 176.094 -0.145 0.000 1.049 388 V CA 1.672 63.876 62.300 -0.160 0.000 1.024 388 V CB -0.836 30.812 31.823 -0.291 0.000 0.648 388 V HN 0.490 nan 8.190 nan 0.000 0.447 389 Y N 0.600 120.890 120.300 -0.017 0.000 2.181 389 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 389 Y C 2.578 178.493 175.900 0.026 0.000 1.146 389 Y CA 1.695 59.816 58.100 0.035 0.000 1.164 389 Y CB -0.368 38.187 38.460 0.158 0.000 0.982 389 Y HN 0.301 nan 8.280 nan 0.000 0.515 390 E N -0.761 119.541 120.200 0.169 0.000 2.110 390 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 390 E C 1.985 178.615 176.600 0.050 0.000 0.988 390 E CA 1.833 58.290 56.400 0.095 0.000 0.804 390 E CB -0.118 29.625 29.700 0.072 0.000 0.745 390 E HN 0.539 nan 8.360 nan 0.000 0.458 391 T N -2.283 112.284 114.554 0.022 0.000 3.081 391 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 391 T C 0.562 175.347 174.700 0.142 0.000 1.100 391 T CA -0.097 62.030 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 0.954 121.402 120.400 0.079 0.000 3.096 392 K HA -0.108 4.212 4.320 -0.000 0.000 0.266 392 K C 0.177 176.818 176.600 0.069 0.000 1.043 392 K CA 0.037 56.359 56.287 0.059 0.000 0.758 392 K CB -2.038 30.503 32.500 0.068 0.000 1.260 392 K HN 0.727 nan 8.250 nan 0.000 0.481 393 A N 1.169 124.021 122.820 0.053 0.000 2.477 393 A HA 0.066 4.386 4.320 -0.000 0.000 0.246 393 A C 1.025 178.601 177.584 -0.013 0.000 1.078 393 A CA 0.131 52.206 52.037 0.064 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 0.793 121.195 120.400 0.004 0.000 2.374 394 K HA 0.381 4.701 4.320 -0.000 0.000 0.196 394 K C 0.297 176.860 176.600 -0.061 0.000 1.023 394 K CA 0.937 57.209 56.287 -0.025 0.000 1.103 394 K CB 0.277 32.781 32.500 0.008 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 -0.048 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 -0.049 0.000 1.101 395 A CA -0.707 51.293 52.037 -0.062 0.000 0.674 395 A CB 1.526 20.543 19.000 0.028 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 -1.856 174.442 176.300 -0.005 0.000 1.158 396 M CA -0.590 54.686 55.300 -0.040 0.000 0.899 396 M CB 2.459 35.014 32.600 -0.074 0.000 1.687 396 M HN 0.515 nan 8.290 nan 0.000 0.455 397 V N 3.903 123.822 119.914 0.008 0.000 2.588 397 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 397 V C -0.948 175.160 176.094 0.023 0.000 1.042 397 V CA -0.726 61.589 62.300 0.024 0.000 0.877 397 V CB 1.968 33.818 31.823 0.044 0.000 0.996 397 V HN 0.674 nan 8.190 nan 0.000 0.425 398 V N 4.019 123.944 119.914 0.019 0.000 2.823 398 V HA 0.616 4.736 4.120 -0.000 0.000 0.312 398 V C -0.876 175.233 176.094 0.024 0.000 1.072 398 V CA -0.986 61.331 62.300 0.028 0.000 0.937 398 V CB 1.978 33.814 31.823 0.021 0.000 1.013 398 V HN 0.545 nan 8.190 nan 0.000 0.430 399 L N 2.889 124.137 121.223 0.041 0.000 2.257 399 L HA 0.699 5.039 4.340 -0.000 0.000 0.290 399 L C 0.314 177.197 176.870 0.021 0.000 1.044 399 L CA 0.608 55.454 54.840 0.010 0.000 0.810 399 L CB 1.117 43.173 42.059 -0.005 0.000 1.193 399 L HN 0.875 nan 8.230 nan 0.000 0.425 400 S N 2.619 118.330 115.700 0.018 0.000 2.614 400 S HA 0.490 4.960 4.470 -0.000 0.000 0.288 400 S C 0.441 175.064 174.600 0.037 0.000 1.137 400 S CA -0.705 57.514 58.200 0.031 0.000 0.992 400 S CB 0.709 63.931 63.200 0.037 0.000 1.026 400 S HN 0.632 nan 8.310 nan 0.000 0.486 401 N N 2.245 120.969 118.700 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 1.578 54.661 53.050 0.054 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 -2.065 112.516 114.554 0.045 0.000 2.995 402 T HA 0.135 4.485 4.350 -0.000 0.000 0.269 402 T C 1.555 176.278 174.700 0.039 0.000 1.091 402 T CA 1.496 63.621 62.100 0.040 0.000 1.128 402 T CB -0.147 68.743 68.868 0.038 0.000 0.891 402 T HN 0.370 nan 8.240 nan 0.000 0.492 403 G N 1.159 109.984 108.800 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 0.984 175.908 174.900 0.039 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 0.727 121.253 120.500 0.042 0.000 2.080 404 R HA -0.034 4.306 4.340 -0.000 0.000 0.236 404 R C 2.825 179.157 176.300 0.053 0.000 1.137 404 R CA 2.186 58.313 56.100 0.046 0.000 0.943 404 R CB -0.422 29.907 30.300 0.048 0.000 0.846 404 R HN 0.418 nan 8.270 nan 0.000 0.431 405 S N 0.166 115.901 115.700 0.057 0.000 2.383 405 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 405 S C 1.924 176.557 174.600 0.056 0.000 1.030 405 S CA 1.242 59.480 58.200 0.063 0.000 1.002 405 S CB -0.192 63.044 63.200 0.060 0.000 0.829 405 S HN 0.536 nan 8.310 nan 0.000 0.467 406 A N 1.774 124.621 122.820 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 0.038 0.000 0.623 406 A CB -0.437 18.581 19.000 0.029 0.000 0.818 406 A HN 0.412 nan 8.150 nan 0.000 0.443 407 R N -1.307 119.217 120.500 0.041 0.000 2.096 407 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 407 R C 2.046 178.375 176.300 0.049 0.000 1.127 407 R CA 1.312 57.433 56.100 0.036 0.000 0.968 407 R CB -0.506 29.812 30.300 0.030 0.000 0.861 407 R HN 0.450 nan 8.270 nan 0.000 0.440 408 L N 0.542 121.810 121.223 0.075 0.000 2.046 408 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 408 L C 2.099 179.091 176.870 0.203 0.000 1.077 408 L CA 1.524 56.440 54.840 0.127 0.000 0.747 408 L CB -0.252 41.880 42.059 0.123 0.000 0.896 408 L HN -0.069 nan 8.230 nan 0.000 0.432 409 V N -0.475 119.527 119.914 0.146 0.000 2.358 409 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 409 V C 2.689 178.863 176.094 0.133 0.000 1.047 409 V CA 1.529 63.918 62.300 0.148 0.000 1.035 409 V CB -1.205 30.658 31.823 0.067 0.000 0.658 409 V HN 0.557 nan 8.190 nan 0.000 0.452 410 A N 0.149 123.010 122.820 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 1.956 54.008 52.037 0.026 0.000 0.644 410 A CB -0.521 18.486 19.000 0.011 0.000 0.805 410 A HN 0.597 nan 8.150 nan 0.000 0.449 411 K N -1.493 118.898 120.400 -0.014 0.000 2.211 411 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 411 K C 0.922 177.365 176.600 -0.263 0.000 1.047 411 K CA 1.582 57.777 56.287 -0.152 0.000 0.935 411 K CB -0.317 32.065 32.500 -0.197 0.000 0.728 411 K HN 0.528 nan 8.250 nan 0.000 0.452 412 Y N 1.137 121.479 120.300 0.070 0.000 2.461 412 Y HA 0.222 4.772 4.550 -0.000 0.000 0.277 412 Y C -0.187 175.798 175.900 0.142 0.000 1.182 412 Y CA -0.175 58.035 58.100 0.184 0.000 1.276 412 Y CB 0.422 39.034 38.460 0.253 0.000 1.087 412 Y HN -0.031 nan 8.280 nan 0.000 0.519 413 R N -0.424 120.125 120.500 0.082 0.000 3.146 413 R HA -0.155 4.185 4.340 -0.000 0.000 0.250 413 R C -2.981 173.400 176.300 0.134 0.000 0.912 413 R CA 0.187 56.308 56.100 0.035 0.000 0.633 413 R CB -2.071 28.157 30.300 -0.121 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 0.418 177.673 177.300 -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 0.051 118.590 118.700 -0.268 0.000 2.295 415 N HA 0.060 4.800 4.740 -0.000 0.000 0.221 415 N C -0.215 175.303 175.510 0.014 0.000 1.129 415 N CA -0.454 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 0.446 nan 8.380 nan 0.000 0.494 416 C N -2.714 116.530 119.300 -0.093 0.000 3.171 416 C HA 0.751 5.211 4.460 -0.000 0.000 0.308 416 C C -3.017 171.659 174.990 -0.522 0.000 1.334 416 C CA -1.958 56.903 59.018 -0.261 0.000 1.473 416 C CB 1.471 29.070 27.740 -0.234 0.000 1.866 416 C HN 0.005 nan 8.230 nan 0.000 0.465 417 P HA 0.412 nan 4.420 nan 0.000 0.269 417 P C -0.835 176.237 177.300 -0.381 0.000 1.209 417 P CA 0.301 62.841 63.100 -0.933 0.000 0.776 417 P CB 0.300 31.245 31.700 -1.259 0.000 0.876 418 I N 1.940 122.384 120.570 -0.211 0.000 2.378 418 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 418 I C -0.489 175.612 176.117 -0.026 0.000 0.992 418 I CA -0.782 60.464 61.300 -0.090 0.000 1.154 418 I CB 1.743 39.712 38.000 -0.051 0.000 1.315 418 I HN -0.055 nan 8.210 nan 0.000 0.448 419 V N 5.819 125.737 119.914 0.006 0.000 2.378 419 V HA 0.244 4.364 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 61.675 62.300 0.022 0.000 0.840 419 V CB 1.515 33.407 31.823 0.115 0.000 0.994 419 V HN 0.864 nan 8.190 nan 0.000 0.431 420 C N 6.634 125.907 119.300 -0.045 0.000 2.330 420 C HA 0.762 5.222 4.460 -0.000 0.000 0.344 420 C C 0.017 174.976 174.990 -0.050 0.000 1.273 420 C CA -0.168 58.831 59.018 -0.031 0.000 1.879 420 C CB 0.428 28.160 27.740 -0.012 0.000 2.376 420 C HN 0.701 nan 8.230 nan 0.000 0.534 421 V N 6.368 126.262 119.914 -0.034 0.000 2.357 421 V HA 0.559 4.679 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 1.528 33.307 31.823 -0.073 0.000 0.991 421 V HN 1.001 nan 8.190 nan 0.000 0.437 422 T N 2.131 116.712 114.554 0.045 0.000 2.893 422 T HA 0.400 4.750 4.350 -0.000 0.000 0.291 422 T C 0.836 175.631 174.700 0.159 0.000 1.028 422 T CA 0.234 62.392 62.100 0.095 0.000 0.995 422 T CB 1.740 70.677 68.868 0.115 0.000 1.051 422 T HN 0.845 nan 8.240 nan 0.000 0.470 423 T N 1.309 115.961 114.554 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 -0.227 61.997 62.100 0.207 0.000 0.966 423 T CB -0.022 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 0.223 120.931 120.500 0.347 0.000 2.480 424 R HA 0.610 4.950 4.340 -0.000 0.000 0.306 424 R C 0.827 177.202 176.300 0.124 0.000 0.958 424 R CA -0.629 55.611 56.100 0.234 0.000 0.861 424 R CB 1.214 31.585 30.300 0.118 0.000 1.171 424 R HN 0.056 nan 8.270 nan 0.000 0.445 425 L N 1.645 122.795 121.223 -0.123 0.000 2.083 425 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 425 L C 2.198 179.001 176.870 -0.112 0.000 1.083 425 L CA 1.499 56.174 54.840 -0.275 0.000 0.752 425 L CB -0.054 41.721 42.059 -0.473 0.000 0.899 425 L HN 0.719 nan 8.230 nan 0.000 0.433 426 Q N -0.655 119.104 119.800 -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 -0.012 0.000 0.976 426 Q CA 2.040 57.819 55.803 -0.041 0.000 0.858 426 Q CB 0.060 28.779 28.738 -0.031 0.000 0.907 426 Q HN 0.374 nan 8.270 nan 0.000 0.433 427 T N -0.301 114.260 114.554 0.012 0.000 2.788 427 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 427 T C 1.841 176.558 174.700 0.027 0.000 1.044 427 T CA 1.300 63.418 62.100 0.030 0.000 1.139 427 T CB -0.390 68.510 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 -0.019 4.441 4.460 -0.000 0.000 0.277 428 C C 2.822 177.817 174.990 0.007 0.000 1.262 428 C CA 0.375 59.404 59.018 0.018 0.000 1.733 428 C CB -1.005 26.743 27.740 0.013 0.000 2.010 428 C HN 0.557 nan 8.230 nan 0.000 0.483 429 R N 0.542 121.037 120.500 -0.008 0.000 2.075 429 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 429 R C 2.298 178.604 176.300 0.009 0.000 1.126 429 R CA 1.207 57.304 56.100 -0.005 0.000 0.963 429 R CB -0.425 29.862 30.300 -0.023 0.000 0.858 429 R HN 0.657 nan 8.270 nan 0.000 0.435 430 Q N 0.614 120.420 119.800 0.010 0.000 2.170 430 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 430 Q C 1.968 177.987 176.000 0.032 0.000 0.976 430 Q CA 0.964 56.779 55.803 0.020 0.000 0.858 430 Q CB 0.010 28.758 28.738 0.017 0.000 0.907 430 Q HN 0.371 nan 8.270 nan 0.000 0.433 431 L N 0.771 122.012 121.223 0.030 0.000 2.622 431 L HA -0.073 4.267 4.340 -0.000 0.000 0.233 431 L C 1.092 177.985 176.870 0.039 0.000 1.156 431 L CA 0.013 54.873 54.840 0.033 0.000 0.866 431 L CB -0.196 41.880 42.059 0.029 0.000 0.980 431 L HN 0.186 nan 8.230 nan 0.000 0.448 432 N N 0.676 119.401 118.700 0.042 0.000 2.512 432 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 432 N C 1.557 177.103 175.510 0.060 0.000 1.073 432 N CA 0.797 53.877 53.050 0.051 0.000 0.911 432 N CB 0.005 38.521 38.487 0.048 0.000 0.964 432 N HN 0.531 nan 8.380 nan 0.000 0.447 433 I N -4.027 116.581 120.570 0.063 0.000 3.956 433 I HA 0.241 4.411 4.170 -0.000 0.000 0.333 433 I C -0.321 175.824 176.117 0.046 0.000 1.302 433 I CA 0.058 61.397 61.300 0.066 0.000 1.122 433 I CB 0.080 38.134 38.000 0.091 0.000 1.013 433 I HN -0.279 nan 8.210 nan 0.000 0.405 434 T N 3.085 117.663 114.554 0.040 0.000 2.767 434 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 434 T C -0.126 174.592 174.700 0.029 0.000 0.973 434 T CA -0.422 61.695 62.100 0.028 0.000 0.996 434 T CB 1.303 70.187 68.868 0.026 0.000 0.927 434 T HN 0.400 nan 8.240 nan 0.000 0.456 435 Q N 1.854 121.664 119.800 0.017 0.000 2.392 435 Q HA 0.460 4.800 4.340 -0.000 0.000 0.262 435 Q C 1.086 177.109 176.000 0.038 0.000 1.003 435 Q CA 0.418 56.235 55.803 0.023 0.000 0.888 435 Q CB -0.133 28.605 28.738 0.000 0.000 1.260 435 Q HN 0.842 nan 8.270 nan 0.000 0.435 436 G N 0.358 109.204 108.800 0.076 0.000 2.153 436 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.252 436 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.252 436 G C -0.370 174.571 174.900 0.067 0.000 0.994 436 G CA 0.101 45.273 45.100 0.120 0.000 0.698 436 G HN 0.693 nan 8.290 nan 0.000 0.521 437 V N -0.143 119.807 119.914 0.060 0.000 2.656 437 V HA 0.654 4.774 4.120 -0.000 0.000 0.307 437 V C -0.059 176.068 176.094 0.055 0.000 1.051 437 V CA -0.781 61.542 62.300 0.038 0.000 0.893 437 V CB 2.004 33.843 31.823 0.027 0.000 0.999 437 V HN 0.358 nan 8.190 nan 0.000 0.426 438 E N 1.771 121.998 120.200 0.045 0.000 2.222 438 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 438 E C -1.154 175.394 176.600 -0.088 0.000 0.884 438 E CA -0.482 55.941 56.400 0.039 0.000 0.764 438 E CB 2.255 32.064 29.700 0.182 0.000 1.169 438 E HN 0.646 nan 8.360 nan 0.000 0.413 439 S N 1.260 116.891 115.700 -0.116 0.000 2.509 439 S HA 0.467 4.937 4.470 -0.000 0.000 0.297 439 S C -0.623 173.827 174.600 -0.250 0.000 1.118 439 S CA -0.747 57.372 58.200 -0.134 0.000 1.074 439 S CB 1.451 64.633 63.200 -0.029 0.000 1.038 439 S HN 0.229 nan 8.310 nan 0.000 0.498 440 V N 3.820 123.604 119.914 -0.217 0.000 2.409 440 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 440 V C -0.624 175.505 176.094 0.058 0.000 1.020 440 V CA -0.784 61.422 62.300 -0.156 0.000 0.848 440 V CB 0.968 32.656 31.823 -0.225 0.000 0.990 440 V HN 0.840 nan 8.190 nan 0.000 0.430 441 F N 6.068 126.010 119.950 -0.013 0.000 2.427 441 F HA 0.593 5.120 4.527 0.000 0.000 0.352 441 F C -0.725 175.142 175.800 0.111 0.000 1.100 441 F CA -1.063 56.961 58.000 0.041 0.000 1.191 441 F CB 0.771 39.779 39.000 0.015 0.000 1.128 441 F HN 0.429 nan 8.300 nan 0.000 0.533 442 F N 6.452 125.903 119.950 -0.832 0.000 2.460 442 F HA 0.278 4.805 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 56.700 58.000 -0.692 0.000 0.962 442 F CB 0.545 39.358 39.000 -0.310 0.000 1.171 442 F HN 0.404 nan 8.300 nan 0.000 0.436 443 D N 5.081 124.767 120.400 -1.190 0.000 2.374 443 D HA 0.281 4.921 4.640 -0.000 0.000 0.240 443 D C 0.918 176.921 176.300 -0.494 0.000 1.229 443 D CA 0.376 53.942 54.000 -0.725 0.000 0.895 443 D CB 1.618 42.189 40.800 -0.381 0.000 1.046 443 D HN 0.718 nan 8.370 nan 0.000 0.498 444 A N 4.054 126.768 122.820 -0.177 0.000 1.933 444 A HA -0.194 4.126 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 1.310 53.336 52.037 -0.019 0.000 0.628 444 A CB -0.097 19.009 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 -0.137 0.000 0.990 445 D CA 1.690 55.630 54.000 -0.099 0.000 0.826 445 D CB -0.207 40.572 40.800 -0.035 0.000 0.971 445 D HN 0.384 nan 8.370 nan 0.000 0.453 446 K N 0.164 120.472 120.400 -0.154 0.000 2.026 446 K HA 0.032 4.352 4.320 -0.000 0.000 0.208 446 K C 1.607 178.075 176.600 -0.221 0.000 1.048 446 K CA 0.978 57.163 56.287 -0.170 0.000 0.929 446 K CB -0.105 32.291 32.500 -0.173 0.000 0.713 446 K HN 0.129 nan 8.250 nan 0.000 0.439 447 L N -0.559 120.470 121.223 -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 -0.188 54.447 54.840 -0.342 0.000 0.900 447 L CB 0.176 41.842 42.059 -0.655 0.000 1.146 447 L HN 0.394 nan 8.230 nan 0.000 0.484 448 G N -0.452 108.257 108.800 -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 0.045 174.981 174.900 0.060 0.000 1.350 448 G CA -0.520 44.516 45.100 -0.107 0.000 0.837 448 G HN 0.157 nan 8.290 nan 0.000 0.564 449 H N 0.505 119.634 119.070 0.099 0.000 2.524 449 H HA 0.039 4.595 4.556 -0.000 0.000 0.282 449 H C 1.704 177.085 175.328 0.088 0.000 1.016 449 H CA 1.572 57.676 56.048 0.093 0.000 1.270 449 H CB -0.052 29.739 29.762 0.049 0.000 1.394 449 H HN 0.847 nan 8.280 nan 0.000 0.568 450 D N 1.162 121.701 120.400 0.231 0.000 2.689 450 D HA -0.164 4.476 4.640 -0.000 0.000 0.237 450 D C 1.211 177.529 176.300 0.030 0.000 1.148 450 D CA 0.750 54.836 54.000 0.144 0.000 0.656 450 D CB -0.620 40.217 40.800 0.062 0.000 1.050 450 D HN 0.607 nan 8.370 nan 0.000 0.426 451 E N -0.995 119.233 120.200 0.046 0.000 2.204 451 E HA -0.116 4.234 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 1.239 57.644 56.400 0.009 0.000 0.821 451 E CB -0.348 29.358 29.700 0.011 0.000 0.750 451 E HN 0.514 nan 8.360 nan 0.000 0.477 452 G N 0.866 109.645 108.800 -0.035 0.000 2.880 452 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.209 452 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.209 452 G C 0.641 175.521 174.900 -0.034 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 -0.945 119.360 120.400 -0.157 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 -0.311 0.000 0.976 453 K CB -1.253 30.918 32.500 -0.548 0.000 1.294 453 K HN 0.612 nan 8.250 nan 0.000 0.464 454 E N -0.042 119.993 120.200 -0.276 0.000 2.110 454 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 454 E C 1.461 177.905 176.600 -0.260 0.000 0.988 454 E CA 1.619 57.857 56.400 -0.271 0.000 0.804 454 E CB -0.292 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 0.735 119.741 119.070 -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 1.266 57.268 56.048 -0.077 0.000 1.334 455 H CB 0.046 29.841 29.762 0.055 0.000 1.385 455 H HN -0.009 nan 8.280 nan 0.000 0.504 456 R N 0.256 120.521 120.500 -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 0.891 120.702 119.914 -0.171 0.000 2.343 457 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 457 V C 2.407 178.494 176.094 -0.013 0.000 1.051 457 V CA 1.965 64.220 62.300 -0.074 0.000 1.036 457 V CB -0.655 31.126 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 -0.000 0.000 1.933 458 A HA -0.100 4.220 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 2.022 54.087 52.037 0.046 0.000 0.628 458 A CB -0.716 18.326 19.000 0.071 0.000 0.814 458 A HN 0.563 nan 8.150 nan 0.000 0.444 459 A N -0.460 122.411 122.820 0.086 0.000 1.902 459 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 459 A C 2.415 180.072 177.584 0.121 0.000 1.181 459 A CA 1.903 54.011 52.037 0.118 0.000 0.623 459 A CB -1.376 17.719 19.000 0.158 0.000 0.818 459 A HN 0.711 nan 8.150 nan 0.000 0.443 460 G N -0.678 108.167 108.800 0.075 0.000 2.418 460 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 460 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 460 G C 1.519 176.510 174.900 0.153 0.000 1.158 460 G CA 1.180 46.337 45.100 0.095 0.000 0.771 460 G HN 0.303 nan 8.290 nan 0.000 0.545 461 V N 0.802 120.779 119.914 0.106 0.000 2.343 461 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 461 V C 2.720 178.874 176.094 0.100 0.000 1.051 461 V CA 2.334 64.692 62.300 0.097 0.000 1.036 461 V CB -0.146 31.716 31.823 0.065 0.000 0.654 461 V HN 0.484 nan 8.190 nan 0.000 0.451 462 E N 0.195 120.457 120.200 0.104 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 0.090 0.000 0.989 462 E CA 1.690 58.139 56.400 0.083 0.000 0.800 462 E CB -0.536 29.216 29.700 0.086 0.000 0.746 462 E HN 0.560 nan 8.360 nan 0.000 0.452 463 F N 0.529 120.487 119.950 0.013 0.000 2.134 463 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 463 F C 2.036 177.817 175.800 -0.032 0.000 1.097 463 F CA 1.757 59.758 58.000 0.001 0.000 1.264 463 F CB -0.525 38.494 39.000 0.032 0.000 1.001 463 F HN 0.121 nan 8.300 nan 0.000 0.479 464 A N 0.254 123.149 122.820 0.125 0.000 1.933 464 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 464 A C 2.282 179.783 177.584 -0.139 0.000 1.175 464 A CA 1.698 53.754 52.037 0.032 0.000 0.628 464 A CB -0.666 18.440 19.000 0.176 0.000 0.814 464 A HN 0.444 nan 8.150 nan 0.000 0.444 465 K N 0.011 120.358 120.400 -0.088 0.000 2.057 465 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 465 K C 2.529 179.018 176.600 -0.185 0.000 1.049 465 K CA 1.569 57.794 56.287 -0.103 0.000 0.931 465 K CB -0.214 32.257 32.500 -0.048 0.000 0.714 465 K HN 0.638 nan 8.250 nan 0.000 0.440 466 S N 1.141 116.703 115.700 -0.231 0.000 2.382 466 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 466 S C 1.654 176.021 174.600 -0.388 0.000 1.027 466 S CA 1.072 59.110 58.200 -0.269 0.000 0.991 466 S CB -0.021 63.041 63.200 -0.229 0.000 0.823 466 S HN 0.130 nan 8.310 nan 0.000 0.469 467 K N 0.565 120.585 120.400 -0.634 0.000 2.444 467 K HA 0.207 4.527 4.320 -0.000 0.000 0.193 467 K C 1.400 177.601 176.600 -0.665 0.000 1.024 467 K CA 0.637 56.475 56.287 -0.748 0.000 1.077 467 K CB -0.130 31.670 32.500 -1.166 0.000 0.833 467 K HN 0.648 nan 8.250 nan 0.000 0.517 468 G N 1.275 109.797 108.800 -0.464 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 0.584 175.421 174.900 -0.105 0.000 0.977 468 G CA 0.252 45.209 45.100 -0.238 0.000 0.652 468 G HN 0.204 nan 8.290 nan 0.000 0.531 469 Y N -0.017 120.243 120.300 -0.066 0.000 2.224 469 Y HA 0.231 4.781 4.550 -0.000 0.000 0.289 469 Y C 1.958 177.832 175.900 -0.043 0.000 1.146 469 Y CA 0.884 58.952 58.100 -0.054 0.000 1.182 469 Y CB -0.680 37.733 38.460 -0.078 0.000 0.983 469 Y HN 0.769 nan 8.280 nan 0.000 0.524 470 V N -1.477 118.484 119.914 0.078 0.000 2.914 470 V HA 0.696 4.816 4.120 -0.000 0.000 0.314 470 V C -0.899 175.191 176.094 -0.006 0.000 1.084 470 V CA -1.227 61.092 62.300 0.032 0.000 0.963 470 V CB 2.070 33.915 31.823 0.036 0.000 1.025 470 V HN 0.156 nan 8.190 nan 0.000 0.432 471 Q N 0.765 120.556 119.800 -0.015 0.000 2.587 471 Q HA 0.644 4.984 4.340 -0.000 0.000 0.293 471 Q C -0.541 175.440 176.000 -0.033 0.000 1.083 471 Q CA -0.894 54.894 55.803 -0.025 0.000 0.792 471 Q CB 1.457 30.180 28.738 -0.026 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 -0.033 0.000 2.940 472 T HA 0.388 4.738 4.350 -0.000 0.000 0.309 472 T C 1.120 175.784 174.700 -0.060 0.000 1.056 472 T CA 0.303 62.382 62.100 -0.037 0.000 1.137 472 T CB 0.510 69.362 68.868 -0.027 0.000 0.976 472 T HN 1.084 nan 8.240 nan 0.000 0.547 473 G N 1.753 110.506 108.800 -0.078 0.000 2.217 473 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 -0.163 174.594 174.900 -0.239 0.000 0.990 473 G CA -0.055 44.965 45.100 -0.133 0.000 0.627 473 G HN 0.791 nan 8.290 nan 0.000 0.522 474 D N -0.088 120.203 120.400 -0.181 0.000 2.344 474 D HA 0.521 5.161 4.640 -0.000 0.000 0.244 474 D C 0.155 176.346 176.300 -0.181 0.000 1.134 474 D CA 0.052 53.928 54.000 -0.207 0.000 0.930 474 D CB 0.376 41.129 40.800 -0.078 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 -0.008 0.000 2.308 475 Y HA 0.295 4.845 4.550 -0.000 0.000 0.329 475 Y C 0.451 176.340 175.900 -0.018 0.000 1.111 475 Y CA -0.994 57.098 58.100 -0.014 0.000 1.179 475 Y CB 1.268 39.716 38.460 -0.019 0.000 1.201 475 Y HN 0.202 nan 8.280 nan 0.000 0.483 476 C N 4.260 123.659 119.300 0.166 0.000 2.396 476 C HA 0.800 5.260 4.460 -0.000 0.000 0.321 476 C C -0.820 174.195 174.990 0.042 0.000 1.233 476 C CA -0.662 58.403 59.018 0.079 0.000 1.440 476 C CB -0.318 27.461 27.740 0.065 0.000 2.110 476 C HN 0.619 nan 8.230 nan 0.000 0.473 477 V N 6.912 126.826 119.914 0.001 0.000 2.407 477 V HA 0.528 4.648 4.120 -0.000 0.000 0.278 477 V C -0.035 176.038 176.094 -0.034 0.000 1.037 477 V CA -0.186 62.092 62.300 -0.036 0.000 0.900 477 V CB 1.491 33.275 31.823 -0.066 0.000 0.983 477 V HN 0.742 nan 8.190 nan 0.000 0.459 478 V N 6.657 126.543 119.914 -0.046 0.000 2.604 478 V HA 0.575 4.695 4.120 -0.000 0.000 0.305 478 V C -0.372 175.649 176.094 -0.122 0.000 1.043 478 V CA -0.493 61.785 62.300 -0.036 0.000 0.888 478 V CB 2.032 33.863 31.823 0.014 0.000 0.995 478 V HN 0.690 nan 8.190 nan 0.000 0.429 479 I N 5.489 126.006 120.570 -0.089 0.000 2.447 479 I HA 0.711 4.881 4.170 -0.000 0.000 0.287 479 I C -0.457 175.611 176.117 -0.082 0.000 1.023 479 I CA -0.247 60.964 61.300 -0.148 0.000 1.083 479 I CB 1.653 39.618 38.000 -0.059 0.000 1.245 479 I HN 1.031 nan 8.210 nan 0.000 0.434 480 H N 3.877 122.915 119.070 -0.053 0.000 2.888 480 H HA 0.792 5.348 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 -0.065 0.000 1.165 480 H CB 0.466 30.183 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 52.187 52.037 -0.017 0.000 0.807 481 A CB -0.297 18.641 19.000 -0.103 0.000 1.055 481 A HN 0.810 nan 8.150 nan 0.000 0.492 482 D N -1.045 119.308 120.400 -0.079 0.000 2.440 482 D HA 0.125 4.765 4.640 -0.000 0.000 0.269 482 D C 0.792 177.029 176.300 -0.105 0.000 1.249 482 D CA -0.070 53.834 54.000 -0.160 0.000 1.055 482 D CB -0.092 40.611 40.800 -0.162 0.000 1.104 482 D HN 0.466 nan 8.370 nan 0.000 0.561 483 H N -0.962 118.098 119.070 -0.017 0.000 2.389 483 H HA -0.027 4.529 4.556 -0.000 0.000 0.299 483 H C 1.767 177.073 175.328 -0.036 0.000 1.081 483 H CA 1.345 57.377 56.048 -0.027 0.000 1.345 483 H CB -0.080 29.669 29.762 -0.022 0.000 1.393 483 H HN 0.473 nan 8.280 nan 0.000 0.520 484 K N 0.832 121.277 120.400 0.074 0.000 2.031 484 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 484 K C 0.429 177.014 176.600 -0.025 0.000 1.049 484 K CA 0.279 56.578 56.287 0.021 0.000 0.939 484 K CB 0.177 32.686 32.500 0.014 0.000 0.717 484 K HN -0.072 nan 8.250 nan 0.000 0.438 485 V N 3.221 123.090 119.914 -0.075 0.000 2.637 485 V HA 0.032 4.152 4.120 -0.000 0.000 0.296 485 V C 0.022 176.011 176.094 -0.174 0.000 1.046 485 V CA 0.214 62.419 62.300 -0.159 0.000 1.066 485 V CB 1.117 32.758 31.823 -0.304 0.000 0.968 485 V HN 0.206 nan 8.190 nan 0.000 0.483 486 K N 2.704 123.014 120.400 -0.149 0.000 2.371 486 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 486 K C 0.770 177.343 176.600 -0.044 0.000 0.934 486 K CA 0.035 56.268 56.287 -0.090 0.000 0.798 486 K CB 1.730 34.209 32.500 -0.035 0.000 1.204 486 K HN 0.903 nan 8.250 nan 0.000 0.427 487 G N 1.570 110.365 108.800 -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 0.200 0.000 0.991 487 G CA 0.815 45.971 45.100 0.094 0.000 0.629 487 G HN 0.669 nan 8.290 nan 0.000 0.517 488 Y N -2.654 117.653 120.300 0.013 0.000 2.725 488 Y HA 0.778 5.328 4.550 -0.000 0.000 0.333 488 Y C -0.329 175.579 175.900 0.014 0.000 1.242 488 Y CA -1.271 56.837 58.100 0.014 0.000 1.059 488 Y CB 0.677 39.145 38.460 0.012 0.000 1.306 488 Y HN 0.983 nan 8.280 nan 0.000 0.454 489 A N 1.278 124.163 122.820 0.108 0.000 2.260 489 A HA 0.394 4.714 4.320 -0.000 0.000 0.314 489 A C -0.213 177.404 177.584 0.055 0.000 1.257 489 A CA -0.349 51.688 52.037 -0.001 0.000 0.871 489 A CB -0.497 18.522 19.000 0.032 0.000 1.166 489 A HN 0.960 nan 8.150 nan 0.000 0.522 490 N N 1.633 120.283 118.700 -0.084 0.000 2.203 490 N HA 0.102 4.842 4.740 -0.000 0.000 0.207 490 N C 0.091 175.572 175.510 -0.049 0.000 1.130 490 N CA -0.213 52.839 53.050 0.004 0.000 0.861 490 N CB 0.401 38.873 38.487 -0.024 0.000 1.005 490 N HN 0.669 nan 8.380 nan 0.000 0.507 491 Q N 0.456 120.189 119.800 -0.111 0.000 2.372 491 Q HA 0.326 4.666 4.340 -0.000 0.000 0.273 491 Q C -1.707 174.163 176.000 -0.215 0.000 1.078 491 Q CA -0.709 54.992 55.803 -0.170 0.000 0.806 491 Q CB 2.470 31.071 28.738 -0.229 0.000 1.332 491 Q HN 0.101 nan 8.270 nan 0.000 0.435 492 T N 2.338 116.785 114.554 -0.178 0.000 2.876 492 T HA 0.713 5.063 4.350 -0.000 0.000 0.289 492 T C -1.465 173.140 174.700 -0.159 0.000 1.014 492 T CA -0.478 61.519 62.100 -0.173 0.000 0.986 492 T CB 0.895 69.694 68.868 -0.115 0.000 1.021 492 T HN 0.621 nan 8.240 nan 0.000 0.458 493 R N 3.161 123.569 120.500 -0.153 0.000 2.628 493 R HA 0.602 4.942 4.340 -0.000 0.000 0.288 493 R C -0.886 175.364 176.300 -0.083 0.000 0.980 493 R CA -0.698 55.337 56.100 -0.108 0.000 0.891 493 R CB 1.949 32.194 30.300 -0.092 0.000 1.188 493 R HN 0.520 nan 8.270 nan 0.000 0.450 494 I N 4.950 125.469 120.570 -0.085 0.000 2.307 494 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 494 I C -0.654 175.447 176.117 -0.027 0.000 1.021 494 I CA -0.716 60.530 61.300 -0.090 0.000 1.224 494 I CB 0.594 38.473 38.000 -0.201 0.000 1.376 494 I HN 0.343 nan 8.210 nan 0.000 0.470 495 L N 5.764 127.008 121.223 0.036 0.000 2.334 495 L HA 0.647 4.987 4.340 -0.000 0.000 0.276 495 L C -0.558 176.405 176.870 0.155 0.000 1.014 495 L CA -0.899 53.989 54.840 0.079 0.000 0.815 495 L CB 0.940 43.030 42.059 0.052 0.000 1.268 495 L HN 0.301 nan 8.230 nan 0.000 0.428 496 L N 3.172 124.485 121.223 0.150 0.000 2.349 496 L HA 0.588 4.928 4.340 -0.000 0.000 0.275 496 L C -0.057 176.844 176.870 0.053 0.000 1.115 496 L CA -0.059 54.854 54.840 0.121 0.000 0.820 496 L CB 1.566 43.682 42.059 0.096 0.000 1.135 496 L HN 0.640 nan 8.230 nan 0.000 0.445 497 V N 2.781 122.705 119.914 0.017 0.000 2.439 497 V HA 0.700 4.820 4.120 -0.000 0.000 0.282 497 V C -0.277 175.815 176.094 -0.004 0.000 1.039 497 V CA -0.352 61.954 62.300 0.011 0.000 0.913 497 V CB 1.251 33.082 31.823 0.013 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 0.004 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 -0.001 0.000 0.976 498 E CB 0.000 29.702 29.700 0.004 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440