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_N DATA FIRST_RESID 1 DATA SEQUENCE SQLAHNLTLS IFDPVANYRA ARIICTIGPS TQSVEALKGL IQSGMSVARM DATA SEQUENCE NFSHGSHEYH QTTINNVRQA AAELGVNIAI ALDTKGPEIR TGQFVGGDAV DATA SEQUENCE MERGATCYVT TDPAFADKGT KDKFYIDYQN LSKVVRPGNY IYIDDGILIL DATA SEQUENCE QVQSHEDEQT LECTVTNSHT ISDRRGVNLP GCDVDLPAVS AKDRVDLQFG DATA SEQUENCE VEQGVDMIFA SFIRSAEQVG DVRKALGPKG RDIMIICKIE NHQGVQNIDS DATA SEQUENCE IIEESDGIMV ARGDLGVEIP AEKVVVAQKI LISKCNVAGK PVICATQMLE DATA SEQUENCE SMTYNPRPTR AEVSDVANAV FNGADCVMLS GETAKGKYPN EVVQYMARIC DATA SEQUENCE LEAQSALNEY VFFNSIKKLQ HIPMSADEAV CSSAVNSVYE TKAKAMVVLS DATA SEQUENCE NTGRSARLVA KYRPNCPIVC VTTRLQTCRQ LNITQGVESV FFDADKLGHD DATA SEQUENCE EGKEHRVAAG VEFAKSKGYV QTGDYCVVIH ADHKVKGYAN QTRILLVE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.599 174.600 -0.002 0.000 1.055 1 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 2 Q N 0.608 120.390 119.800 -0.030 0.000 2.224 2 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 2 Q C 1.607 177.620 176.000 0.022 0.000 0.970 2 Q CA 1.785 57.571 55.803 -0.029 0.000 0.865 2 Q CB -0.371 28.322 28.738 -0.075 0.000 0.922 2 Q HN 0.720 nan 8.270 nan 0.000 0.445 3 L N -0.567 120.661 121.223 0.007 0.000 1.994 3 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 3 L C 2.139 179.024 176.870 0.025 0.000 1.071 3 L CA 1.405 56.249 54.840 0.008 0.000 0.745 3 L CB -0.648 41.410 42.059 -0.003 0.000 0.892 3 L HN 0.413 nan 8.230 nan 0.000 0.431 4 A N -0.920 121.923 122.820 0.039 0.000 1.877 4 A HA -0.337 3.983 4.320 -0.000 0.000 0.216 4 A C 2.023 179.636 177.584 0.049 0.000 1.186 4 A CA 1.970 54.030 52.037 0.038 0.000 0.620 4 A CB -1.040 17.985 19.000 0.043 0.000 0.822 4 A HN 0.655 nan 8.150 nan 0.000 0.443 5 H N 0.453 119.515 119.070 -0.014 0.000 2.390 5 H HA -0.141 4.415 4.556 -0.000 0.000 0.298 5 H C 1.895 177.211 175.328 -0.020 0.000 1.106 5 H CA 2.064 58.105 56.048 -0.011 0.000 1.297 5 H CB -0.089 29.665 29.762 -0.013 0.000 1.375 5 H HN 0.420 nan 8.280 nan 0.000 0.509 6 N N 0.174 118.873 118.700 -0.001 0.000 2.272 6 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 6 N C 1.851 177.302 175.510 -0.099 0.000 1.014 6 N CA 1.102 54.113 53.050 -0.065 0.000 0.870 6 N CB -0.158 38.313 38.487 -0.026 0.000 0.975 6 N HN 0.450 nan 8.380 nan 0.000 0.433 7 L N 0.323 121.501 121.223 -0.075 0.000 2.217 7 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 7 L C 2.185 179.009 176.870 -0.077 0.000 1.107 7 L CA 1.220 56.025 54.840 -0.058 0.000 0.783 7 L CB -0.581 41.461 42.059 -0.029 0.000 0.919 7 L HN 0.264 nan 8.230 nan 0.000 0.442 8 T N -2.478 111.997 114.554 -0.132 0.000 3.100 8 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 8 T C 0.772 175.385 174.700 -0.145 0.000 1.118 8 T CA -0.171 61.850 62.100 -0.132 0.000 1.058 8 T CB -0.313 68.462 68.868 -0.155 0.000 0.953 8 T HN 0.041 nan 8.240 nan 0.000 0.515 9 L N 1.850 122.969 121.223 -0.173 0.000 2.452 9 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 9 L C 0.495 177.336 176.870 -0.050 0.000 1.188 9 L CA -0.545 54.227 54.840 -0.114 0.000 0.821 9 L CB 0.919 42.914 42.059 -0.105 0.000 1.102 9 L HN 0.151 nan 8.230 nan 0.000 0.470 10 S N 0.999 116.689 115.700 -0.017 0.000 2.541 10 S HA 0.383 4.853 4.470 -0.000 0.000 0.280 10 S C 0.711 175.310 174.600 -0.003 0.000 1.112 10 S CA -0.899 57.302 58.200 0.000 0.000 0.925 10 S CB 1.427 64.654 63.200 0.045 0.000 1.067 10 S HN 0.612 nan 8.310 nan 0.000 0.479 11 I N 1.054 121.583 120.570 -0.068 0.000 2.454 11 I HA 0.056 4.226 4.170 -0.000 0.000 0.254 11 I C 0.653 176.721 176.117 -0.081 0.000 1.156 11 I CA 1.608 62.833 61.300 -0.125 0.000 1.433 11 I CB -0.303 37.547 38.000 -0.250 0.000 1.082 11 I HN 0.510 nan 8.210 nan 0.000 0.432 12 F N 2.165 122.119 119.950 0.008 0.000 2.773 12 F HA 0.217 4.744 4.527 -0.000 0.000 0.304 12 F C 0.451 176.256 175.800 0.008 0.000 1.129 12 F CA -0.968 57.036 58.000 0.007 0.000 1.378 12 F CB -0.871 38.132 39.000 0.004 0.000 1.095 12 F HN 0.080 nan 8.300 nan 0.000 0.565 13 D N 2.578 123.082 120.400 0.173 0.000 2.424 13 D HA 0.089 4.729 4.640 -0.000 0.000 0.244 13 D C -1.971 174.390 176.300 0.103 0.000 1.134 13 D CA -1.139 52.928 54.000 0.112 0.000 0.881 13 D CB 0.282 41.126 40.800 0.075 0.000 1.191 13 D HN 0.066 nan 8.370 nan 0.000 0.445 14 P HA 0.045 nan 4.420 nan 0.000 0.275 14 P C -0.010 177.322 177.300 0.053 0.000 1.227 14 P CA -0.536 62.602 63.100 0.064 0.000 0.781 14 P CB 0.809 32.538 31.700 0.048 0.000 0.906 15 V N 0.631 120.571 119.914 0.043 0.000 3.385 15 V HA 0.644 4.764 4.120 -0.000 0.000 0.301 15 V C 0.450 176.557 176.094 0.022 0.000 1.082 15 V CA -0.710 61.605 62.300 0.025 0.000 1.085 15 V CB -0.179 31.650 31.823 0.010 0.000 1.152 15 V HN 0.754 nan 8.190 nan 0.000 0.465 16 A N 1.712 124.526 122.820 -0.010 0.000 2.346 16 A HA 0.305 4.625 4.320 -0.000 0.000 0.252 16 A C 1.119 178.731 177.584 0.047 0.000 1.089 16 A CA 0.034 52.069 52.037 -0.004 0.000 0.797 16 A CB -0.320 18.593 19.000 -0.145 0.000 1.047 16 A HN 1.127 nan 8.150 nan 0.000 0.494 17 N N -0.923 117.867 118.700 0.149 0.000 2.461 17 N HA 0.079 4.819 4.740 -0.000 0.000 0.188 17 N C -0.338 175.366 175.510 0.324 0.000 1.134 17 N CA 0.334 53.515 53.050 0.218 0.000 0.878 17 N CB -0.042 38.594 38.487 0.249 0.000 0.972 17 N HN 0.740 nan 8.380 nan 0.000 0.456 18 Y N -1.307 119.027 120.300 0.057 0.000 2.534 18 Y HA 0.499 5.049 4.550 0.000 0.000 0.345 18 Y C -1.099 174.814 175.900 0.022 0.000 1.031 18 Y CA -1.626 56.498 58.100 0.040 0.000 1.022 18 Y CB 1.249 39.651 38.460 -0.097 0.000 1.292 18 Y HN -0.228 nan 8.280 nan 0.000 0.459 19 R N 2.764 123.261 120.500 -0.006 0.000 2.265 19 R HA 0.681 5.021 4.340 -0.000 0.000 0.328 19 R C 0.163 176.460 176.300 -0.005 0.000 0.969 19 R CA 0.229 56.274 56.100 -0.092 0.000 0.832 19 R CB 1.433 31.725 30.300 -0.013 0.000 1.139 19 R HN 1.071 nan 8.270 nan 0.000 0.457 20 A N 4.404 127.168 122.820 -0.092 0.000 1.873 20 A HA 0.051 4.371 4.320 -0.000 0.000 0.215 20 A C 0.988 178.594 177.584 0.036 0.000 1.186 20 A CA 1.264 53.326 52.037 0.042 0.000 0.616 20 A CB -0.337 18.673 19.000 0.016 0.000 0.823 20 A HN 0.772 nan 8.150 nan 0.000 0.442 21 A N 0.203 123.024 122.820 0.002 0.000 2.386 21 A HA 0.531 4.851 4.320 -0.000 0.000 0.248 21 A C 0.296 177.896 177.584 0.025 0.000 1.082 21 A CA -0.369 51.673 52.037 0.008 0.000 0.789 21 A CB 0.208 19.201 19.000 -0.011 0.000 1.025 21 A HN 0.412 nan 8.150 nan 0.000 0.490 22 R N 0.739 121.257 120.500 0.031 0.000 2.589 22 R HA 0.581 4.921 4.340 -0.000 0.000 0.293 22 R C -1.152 175.173 176.300 0.042 0.000 0.963 22 R CA -0.445 55.681 56.100 0.043 0.000 0.905 22 R CB 1.343 31.674 30.300 0.052 0.000 1.144 22 R HN 0.675 nan 8.270 nan 0.000 0.459 23 I N 3.430 124.029 120.570 0.049 0.000 2.377 23 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 23 I C 0.148 176.305 176.117 0.067 0.000 0.987 23 I CA -0.586 60.744 61.300 0.051 0.000 1.185 23 I CB 1.497 39.525 38.000 0.047 0.000 1.341 23 I HN 0.296 nan 8.210 nan 0.000 0.455 24 I N 5.052 125.667 120.570 0.074 0.000 2.404 24 I HA 0.439 4.609 4.170 -0.000 0.000 0.293 24 I C -0.826 175.349 176.117 0.097 0.000 0.992 24 I CA -0.473 60.890 61.300 0.104 0.000 1.149 24 I CB 1.694 39.779 38.000 0.141 0.000 1.315 24 I HN 0.515 nan 8.210 nan 0.000 0.446 25 C N 3.433 122.793 119.300 0.100 0.000 2.408 25 C HA 0.494 4.954 4.460 -0.000 0.000 0.321 25 C C 0.456 175.510 174.990 0.106 0.000 1.245 25 C CA -0.578 58.493 59.018 0.089 0.000 1.523 25 C CB 1.488 29.270 27.740 0.071 0.000 2.178 25 C HN 0.697 nan 8.230 nan 0.000 0.488 26 T N 4.583 119.201 114.554 0.106 0.000 2.817 26 T HA 0.408 4.758 4.350 -0.000 0.000 0.293 26 T C 0.038 174.805 174.700 0.112 0.000 0.964 26 T CA -0.162 62.013 62.100 0.124 0.000 1.085 26 T CB 0.286 69.228 68.868 0.122 0.000 0.921 26 T HN 0.382 nan 8.240 nan 0.000 0.502 27 I N 3.423 124.076 120.570 0.138 0.000 2.312 27 I HA 0.549 4.719 4.170 -0.000 0.000 0.290 27 I C 0.840 177.065 176.117 0.181 0.000 1.008 27 I CA -0.234 61.146 61.300 0.134 0.000 1.226 27 I CB 0.496 38.569 38.000 0.120 0.000 1.371 27 I HN 0.791 nan 8.210 nan 0.000 0.468 28 G N 6.970 115.855 108.800 0.142 0.000 3.222 28 G HA2 0.549 4.509 3.960 -0.000 0.000 0.263 28 G HA3 0.549 4.509 3.960 -0.000 0.000 0.263 28 G C -2.408 172.582 174.900 0.149 0.000 1.312 28 G CA -0.624 44.568 45.100 0.154 0.000 0.934 28 G HN 0.251 nan 8.290 nan 0.000 0.577 29 P HA -0.015 nan 4.420 nan 0.000 0.216 29 P C 2.056 179.386 177.300 0.050 0.000 1.150 29 P CA 1.553 64.709 63.100 0.093 0.000 0.837 29 P CB 0.153 31.873 31.700 0.034 0.000 0.786 30 S N -1.158 114.559 115.700 0.028 0.000 2.419 30 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 30 S C 1.451 176.063 174.600 0.019 0.000 1.016 30 S CA 1.866 60.073 58.200 0.011 0.000 0.974 30 S CB -0.922 62.274 63.200 -0.006 0.000 0.786 30 S HN 0.376 nan 8.310 nan 0.000 0.492 31 T N -1.633 112.942 114.554 0.035 0.000 3.091 31 T HA 0.300 4.650 4.350 -0.000 0.000 0.277 31 T C 1.107 175.823 174.700 0.026 0.000 0.996 31 T CA -0.359 61.760 62.100 0.032 0.000 0.897 31 T CB 0.230 69.122 68.868 0.040 0.000 1.109 31 T HN 0.177 nan 8.240 nan 0.000 0.534 32 Q N 2.241 122.053 119.800 0.020 0.000 2.167 32 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 32 Q C 1.177 177.158 176.000 -0.031 0.000 0.970 32 Q CA 0.801 56.590 55.803 -0.022 0.000 0.855 32 Q CB 0.020 28.716 28.738 -0.071 0.000 0.911 32 Q HN 0.669 nan 8.270 nan 0.000 0.438 33 S N -1.077 114.614 115.700 -0.015 0.000 2.572 33 S HA 0.037 4.507 4.470 -0.000 0.000 0.279 33 S C 1.240 175.836 174.600 -0.008 0.000 1.341 33 S CA -0.508 57.684 58.200 -0.014 0.000 1.043 33 S CB 1.483 64.679 63.200 -0.006 0.000 0.887 33 S HN 0.113 nan 8.310 nan 0.000 0.516 34 V N 2.259 122.168 119.914 -0.010 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 0.002 0.000 1.059 34 V CA 2.378 64.675 62.300 -0.004 0.000 1.051 34 V CB -1.160 30.660 31.823 -0.006 0.000 0.658 34 V HN 0.958 nan 8.190 nan 0.000 0.455 35 E N 0.316 120.517 120.200 0.002 0.000 2.077 35 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 35 E C 2.218 178.825 176.600 0.010 0.000 0.989 35 E CA 1.506 57.910 56.400 0.006 0.000 0.800 35 E CB -0.530 29.174 29.700 0.005 0.000 0.746 35 E HN 0.547 nan 8.360 nan 0.000 0.452 36 A N 0.184 123.010 122.820 0.009 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 0.019 0.000 1.181 36 A CA 1.248 53.294 52.037 0.014 0.000 0.623 36 A CB -0.684 18.324 19.000 0.013 0.000 0.818 36 A HN 0.295 nan 8.150 nan 0.000 0.443 37 L N -1.181 120.051 121.223 0.016 0.000 2.083 37 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 37 L C 2.593 179.476 176.870 0.022 0.000 1.083 37 L CA 1.710 56.562 54.840 0.020 0.000 0.752 37 L CB -0.354 41.714 42.059 0.015 0.000 0.899 37 L HN 0.323 nan 8.230 nan 0.000 0.433 38 K N -0.025 120.386 120.400 0.018 0.000 2.097 38 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 38 K C 2.055 178.669 176.600 0.024 0.000 1.049 38 K CA 1.276 57.575 56.287 0.020 0.000 0.933 38 K CB -0.424 32.086 32.500 0.015 0.000 0.717 38 K HN 0.349 nan 8.250 nan 0.000 0.442 39 G N 0.504 109.319 108.800 0.024 0.000 2.418 39 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G C 1.299 176.219 174.900 0.034 0.000 1.158 39 G CA 0.512 45.630 45.100 0.029 0.000 0.771 39 G HN 0.092 nan 8.290 nan 0.000 0.545 40 L N 0.469 121.713 121.223 0.035 0.000 2.046 40 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 40 L C 2.789 179.684 176.870 0.041 0.000 1.077 40 L CA 1.084 55.949 54.840 0.040 0.000 0.747 40 L CB -0.520 41.563 42.059 0.041 0.000 0.896 40 L HN 0.205 nan 8.230 nan 0.000 0.432 41 I N -1.251 119.342 120.570 0.038 0.000 2.226 41 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 41 I C 2.452 178.594 176.117 0.041 0.000 1.100 41 I CA 1.143 62.466 61.300 0.039 0.000 1.374 41 I CB -0.202 37.819 38.000 0.035 0.000 1.057 41 I HN 0.368 nan 8.210 nan 0.000 0.413 42 Q N -0.238 119.583 119.800 0.036 0.000 2.167 42 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 42 Q C 2.305 178.326 176.000 0.035 0.000 0.970 42 Q CA 1.501 57.325 55.803 0.035 0.000 0.855 42 Q CB -0.085 28.671 28.738 0.029 0.000 0.911 42 Q HN 0.407 nan 8.270 nan 0.000 0.438 43 S N -1.059 114.664 115.700 0.037 0.000 2.453 43 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 43 S C 1.168 175.792 174.600 0.040 0.000 1.005 43 S CA 0.910 59.133 58.200 0.038 0.000 0.949 43 S CB 0.395 63.622 63.200 0.044 0.000 0.774 43 S HN 0.657 nan 8.310 nan 0.000 0.510 44 G N 1.073 109.899 108.800 0.044 0.000 2.174 44 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.140 44 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.140 44 G C -0.046 174.885 174.900 0.052 0.000 1.031 44 G CA -0.201 44.928 45.100 0.048 0.000 0.728 44 G HN 0.408 nan 8.290 nan 0.000 0.496 45 M N 1.350 120.981 119.600 0.052 0.000 2.188 45 M HA 0.599 5.079 4.480 -0.000 0.000 0.354 45 M C 0.941 177.274 176.300 0.056 0.000 1.342 45 M CA 0.426 55.759 55.300 0.055 0.000 1.117 45 M CB 0.997 33.629 32.600 0.053 0.000 1.670 45 M HN -0.031 nan 8.290 nan 0.000 0.466 46 S N 3.316 119.052 115.700 0.060 0.000 2.506 46 S HA 0.231 4.701 4.470 -0.000 0.000 0.219 46 S C -0.045 174.590 174.600 0.059 0.000 1.031 46 S CA -0.315 57.921 58.200 0.060 0.000 0.911 46 S CB 0.495 63.734 63.200 0.064 0.000 0.812 46 S HN 0.642 nan 8.310 nan 0.000 0.497 47 V N 1.623 121.578 119.914 0.069 0.000 2.638 47 V HA 0.779 4.899 4.120 -0.000 0.000 0.306 47 V C -0.667 175.471 176.094 0.073 0.000 1.052 47 V CA -1.130 61.214 62.300 0.073 0.000 0.885 47 V CB 1.459 33.352 31.823 0.115 0.000 0.999 47 V HN 0.260 nan 8.190 nan 0.000 0.424 48 A N 4.583 127.432 122.820 0.049 0.000 2.276 48 A HA 0.802 5.122 4.320 -0.000 0.000 0.316 48 A C -0.139 177.472 177.584 0.045 0.000 1.229 48 A CA -0.619 51.452 52.037 0.056 0.000 0.851 48 A CB 0.710 19.738 19.000 0.048 0.000 1.165 48 A HN 0.867 nan 8.150 nan 0.000 0.513 49 R N 3.291 123.843 120.500 0.087 0.000 2.338 49 R HA 0.634 4.974 4.340 -0.000 0.000 0.317 49 R C -1.061 175.314 176.300 0.124 0.000 0.968 49 R CA -0.383 55.768 56.100 0.086 0.000 0.849 49 R CB 0.750 31.176 30.300 0.210 0.000 1.128 49 R HN 0.783 nan 8.270 nan 0.000 0.448 50 M N 3.548 123.211 119.600 0.105 0.000 2.205 50 M HA 0.254 4.734 4.480 -0.000 0.000 0.344 50 M C -0.411 175.988 176.300 0.164 0.000 1.085 50 M CA -0.855 54.542 55.300 0.162 0.000 1.001 50 M CB 1.671 34.356 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 0.239 0.000 2.426 51 N HA 0.259 4.999 4.740 -0.000 0.000 0.257 51 N C -0.571 175.089 175.510 0.251 0.000 1.002 51 N CA -0.247 52.965 53.050 0.271 0.000 0.942 51 N CB 0.567 39.252 38.487 0.330 0.000 1.112 51 N HN 0.507 nan 8.380 nan 0.000 0.499 52 F N 1.209 121.136 119.950 -0.039 0.000 2.811 52 F HA 0.128 4.655 4.527 -0.000 0.000 0.301 52 F C 2.068 177.879 175.800 0.018 0.000 1.151 52 F CA 0.161 58.156 58.000 -0.010 0.000 1.412 52 F CB 0.075 39.037 39.000 -0.063 0.000 1.113 52 F HN 0.459 nan 8.300 nan 0.000 0.579 53 S N -1.662 114.062 115.700 0.041 0.000 2.481 53 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 53 S C 0.146 174.478 174.600 -0.447 0.000 0.996 53 S CA 0.684 58.737 58.200 -0.246 0.000 0.942 53 S CB -0.401 62.550 63.200 -0.414 0.000 0.768 53 S HN 0.392 nan 8.310 nan 0.000 0.520 54 H N -1.142 117.971 119.070 0.073 0.000 2.747 54 H HA 0.608 5.164 4.556 -0.000 0.000 0.371 54 H C 0.667 175.945 175.328 -0.083 0.000 1.161 54 H CA -0.084 55.950 56.048 -0.024 0.000 1.167 54 H CB 1.370 31.110 29.762 -0.036 0.000 1.732 54 H HN 0.218 nan 8.280 nan 0.000 0.544 55 G N 0.626 109.322 108.800 -0.173 0.000 2.642 55 G HA2 0.054 4.014 3.960 -0.000 0.000 0.231 55 G HA3 0.054 4.014 3.960 -0.000 0.000 0.231 55 G C -0.490 174.259 174.900 -0.251 0.000 1.338 55 G CA -0.216 44.621 45.100 -0.438 0.000 0.883 55 G HN 1.277 nan 8.290 nan 0.000 0.570 56 S N -3.296 112.248 115.700 -0.261 0.000 2.672 56 S HA 0.647 5.117 4.470 -0.000 0.000 0.271 56 S C 0.525 175.082 174.600 -0.071 0.000 1.171 56 S CA 0.322 58.446 58.200 -0.127 0.000 0.817 56 S CB 1.249 64.386 63.200 -0.104 0.000 1.150 56 S HN 0.931 nan 8.310 nan 0.000 0.478 57 H N 0.171 119.085 119.070 -0.260 0.000 2.387 57 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 57 H C 1.983 177.213 175.328 -0.164 0.000 1.090 57 H CA 1.622 57.400 56.048 -0.451 0.000 1.332 57 H CB 0.149 29.554 29.762 -0.595 0.000 1.386 57 H HN 0.769 nan 8.280 nan 0.000 0.516 58 E N 0.580 120.815 120.200 0.058 0.000 2.051 58 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 58 E C 1.938 178.565 176.600 0.044 0.000 0.991 58 E CA 0.934 57.375 56.400 0.069 0.000 0.799 58 E CB -0.079 29.648 29.700 0.045 0.000 0.748 58 E HN 0.456 nan 8.360 nan 0.000 0.449 59 Y N 0.755 120.968 120.300 -0.145 0.000 2.145 59 Y HA -0.248 4.302 4.550 0.000 0.000 0.286 59 Y C 2.288 178.068 175.900 -0.199 0.000 1.145 59 Y CA 2.070 60.039 58.100 -0.218 0.000 1.148 59 Y CB -0.189 38.047 38.460 -0.374 0.000 0.981 59 Y HN 0.199 nan 8.280 nan 0.000 0.507 60 H N -0.697 118.392 119.070 0.031 0.000 2.423 60 H HA -0.139 4.417 4.556 -0.000 0.000 0.297 60 H C 2.062 177.446 175.328 0.093 0.000 1.075 60 H CA 1.586 57.641 56.048 0.012 0.000 1.342 60 H CB -0.282 29.417 29.762 -0.105 0.000 1.395 60 H HN 0.401 nan 8.280 nan 0.000 0.530 61 Q N 0.717 120.666 119.800 0.248 0.000 2.084 61 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 61 Q C 2.075 178.117 176.000 0.069 0.000 0.978 61 Q CA 1.971 57.916 55.803 0.236 0.000 0.844 61 Q CB -0.226 28.674 28.738 0.269 0.000 0.898 61 Q HN 0.300 nan 8.270 nan 0.000 0.426 62 T N -0.418 114.114 114.554 -0.036 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 -0.104 0.000 1.039 62 T CA 1.700 63.738 62.100 -0.104 0.000 1.142 62 T CB -0.578 68.159 68.868 -0.218 0.000 0.866 62 T HN 0.374 nan 8.240 nan 0.000 0.444 63 T N 1.937 116.418 114.554 -0.122 0.000 2.746 63 T HA 0.039 4.389 4.350 -0.000 0.000 0.267 63 T C 1.968 176.674 174.700 0.010 0.000 1.039 63 T CA 0.854 62.921 62.100 -0.055 0.000 1.142 63 T CB -0.391 68.484 68.868 0.012 0.000 0.866 63 T HN 0.321 nan 8.240 nan 0.000 0.444 64 I N 1.513 122.111 120.570 0.047 0.000 2.179 64 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 64 I C 2.340 178.460 176.117 0.006 0.000 1.088 64 I CA 0.986 62.308 61.300 0.037 0.000 1.357 64 I CB -0.324 37.707 38.000 0.051 0.000 1.051 64 I HN 0.174 nan 8.210 nan 0.000 0.409 65 N N 1.037 119.738 118.700 0.002 0.000 2.142 65 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 65 N C 1.552 177.054 175.510 -0.014 0.000 1.023 65 N CA 1.256 54.301 53.050 -0.009 0.000 0.852 65 N CB -0.691 37.790 38.487 -0.009 0.000 0.998 65 N HN 0.316 nan 8.380 nan 0.000 0.424 66 N N 0.419 119.107 118.700 -0.020 0.000 2.166 66 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 66 N C 1.786 177.290 175.510 -0.009 0.000 1.019 66 N CA 0.433 53.472 53.050 -0.019 0.000 0.856 66 N CB -0.499 37.968 38.487 -0.032 0.000 0.993 66 N HN 0.041 nan 8.380 nan 0.000 0.426 67 V N 0.990 120.901 119.914 -0.004 0.000 2.307 67 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 67 V C 2.273 178.364 176.094 -0.004 0.000 1.045 67 V CA 1.500 63.801 62.300 0.002 0.000 1.024 67 V CB -0.352 31.476 31.823 0.009 0.000 0.651 67 V HN 0.220 nan 8.190 nan 0.000 0.449 68 R N -0.441 120.053 120.500 -0.011 0.000 2.081 68 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 68 R C 2.464 178.756 176.300 -0.014 0.000 1.131 68 R CA 1.744 57.833 56.100 -0.017 0.000 0.960 68 R CB -0.349 29.937 30.300 -0.024 0.000 0.856 68 R HN 0.574 nan 8.270 nan 0.000 0.436 69 Q N 0.073 119.866 119.800 -0.012 0.000 2.084 69 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 69 Q C 2.001 177.998 176.000 -0.005 0.000 0.978 69 Q CA 1.643 57.441 55.803 -0.009 0.000 0.844 69 Q CB -0.047 28.686 28.738 -0.010 0.000 0.898 69 Q HN 0.390 nan 8.270 nan 0.000 0.426 70 A N 0.690 123.509 122.820 -0.002 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 0.006 0.000 1.181 70 A CA 1.622 53.661 52.037 0.003 0.000 0.623 70 A CB -0.876 18.128 19.000 0.006 0.000 0.818 70 A HN 0.537 nan 8.150 nan 0.000 0.443 71 A N -0.132 122.690 122.820 0.004 0.000 1.902 71 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 71 A C 2.496 180.082 177.584 0.003 0.000 1.181 71 A CA 2.036 54.077 52.037 0.005 0.000 0.623 71 A CB -0.986 18.014 19.000 -0.000 0.000 0.818 71 A HN 1.037 nan 8.150 nan 0.000 0.443 72 A N -0.331 122.487 122.820 -0.004 0.000 1.902 72 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 72 A C 1.904 179.489 177.584 0.002 0.000 1.181 72 A CA 1.702 53.735 52.037 -0.005 0.000 0.623 72 A CB -0.523 18.471 19.000 -0.011 0.000 0.818 72 A HN 0.616 nan 8.150 nan 0.000 0.443 73 E N -0.744 119.457 120.200 0.003 0.000 2.204 73 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 73 E C 1.247 177.854 176.600 0.011 0.000 0.990 73 E CA 0.719 57.123 56.400 0.006 0.000 0.821 73 E CB -0.090 29.614 29.700 0.005 0.000 0.750 73 E HN 0.599 nan 8.360 nan 0.000 0.477 74 L N -0.835 120.396 121.223 0.014 0.000 2.693 74 L HA 0.237 4.577 4.340 -0.000 0.000 0.235 74 L C 0.870 177.757 176.870 0.027 0.000 1.127 74 L CA -0.007 54.846 54.840 0.021 0.000 0.914 74 L CB 0.574 42.647 42.059 0.023 0.000 1.193 74 L HN 0.168 nan 8.230 nan 0.000 0.502 75 G N 1.693 110.508 108.800 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 0.042 0.000 1.040 75 G CA 0.508 45.627 45.100 0.031 0.000 1.004 75 G HN 0.285 nan 8.290 nan 0.000 0.509 76 V N -3.842 116.091 119.914 0.031 0.000 3.130 76 V HA 0.788 4.908 4.120 -0.000 0.000 0.310 76 V C -0.335 175.769 176.094 0.017 0.000 1.158 76 V CA -1.959 60.363 62.300 0.038 0.000 1.029 76 V CB 2.249 34.099 31.823 0.046 0.000 1.057 76 V HN 0.160 nan 8.190 nan 0.000 0.436 77 N N 2.146 120.856 118.700 0.016 0.000 2.424 77 N HA 0.596 5.336 4.740 -0.000 0.000 0.271 77 N C -1.379 174.135 175.510 0.007 0.000 0.985 77 N CA -0.326 52.721 53.050 -0.005 0.000 0.921 77 N CB 1.994 40.470 38.487 -0.019 0.000 1.149 77 N HN 0.574 nan 8.380 nan 0.000 0.492 78 I N 1.578 122.148 120.570 0.000 0.000 2.406 78 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 78 I C 0.573 176.690 176.117 -0.001 0.000 0.999 78 I CA -1.069 60.237 61.300 0.010 0.000 1.124 78 I CB 1.089 39.098 38.000 0.014 0.000 1.289 78 I HN 0.378 nan 8.210 nan 0.000 0.441 79 A N 7.584 130.408 122.820 0.006 0.000 2.445 79 A HA 0.553 4.873 4.320 -0.000 0.000 0.242 79 A C -0.087 177.485 177.584 -0.020 0.000 1.075 79 A CA 0.005 52.038 52.037 -0.007 0.000 0.777 79 A CB 0.206 19.211 19.000 0.007 0.000 1.013 79 A HN 0.648 nan 8.150 nan 0.000 0.493 80 I N 1.429 121.970 120.570 -0.047 0.000 2.406 80 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 80 I C 0.399 176.434 176.117 -0.137 0.000 0.999 80 I CA -0.131 61.131 61.300 -0.063 0.000 1.124 80 I CB 1.844 39.816 38.000 -0.047 0.000 1.289 80 I HN 0.704 nan 8.210 nan 0.000 0.441 81 A N 7.361 130.057 122.820 -0.207 0.000 2.342 81 A HA 0.709 5.029 4.320 -0.000 0.000 0.323 81 A C -1.080 176.279 177.584 -0.375 0.000 1.125 81 A CA -0.524 51.240 52.037 -0.453 0.000 0.785 81 A CB 1.318 19.771 19.000 -0.912 0.000 1.221 81 A HN 0.752 nan 8.150 nan 0.000 0.463 82 L N 2.473 123.467 121.223 -0.381 0.000 2.280 82 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 82 L C -0.929 175.780 176.870 -0.268 0.000 1.023 82 L CA -0.524 54.131 54.840 -0.309 0.000 0.819 82 L CB 0.966 42.793 42.059 -0.388 0.000 1.212 82 L HN 0.685 nan 8.230 nan 0.000 0.420 83 D N 4.286 124.624 120.400 -0.103 0.000 2.456 83 D HA 0.125 4.765 4.640 -0.000 0.000 0.219 83 D C 0.008 176.361 176.300 0.089 0.000 1.126 83 D CA -0.153 53.895 54.000 0.079 0.000 0.890 83 D CB 1.091 42.020 40.800 0.215 0.000 1.025 83 D HN 0.615 nan 8.370 nan 0.000 0.511 84 T N 0.597 115.170 114.554 0.032 0.000 2.900 84 T HA 0.045 4.395 4.350 -0.000 0.000 0.307 84 T C 1.323 176.081 174.700 0.098 0.000 1.065 84 T CA -0.376 61.748 62.100 0.040 0.000 1.105 84 T CB 1.951 70.823 68.868 0.005 0.000 0.979 84 T HN 0.356 nan 8.240 nan 0.000 0.544 85 K N 1.939 122.405 120.400 0.111 0.000 2.025 85 K HA 0.158 4.478 4.320 -0.000 0.000 0.207 85 K C 1.181 177.794 176.600 0.022 0.000 1.049 85 K CA 1.099 57.415 56.287 0.049 0.000 0.933 85 K CB -1.007 31.519 32.500 0.042 0.000 0.714 85 K HN 1.191 nan 8.250 nan 0.000 0.438 86 G N 0.858 109.683 108.800 0.040 0.000 2.829 86 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.628 86 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.628 86 G C -2.706 172.202 174.900 0.012 0.000 1.412 86 G CA -0.465 44.661 45.100 0.044 0.000 0.864 86 G HN 0.219 nan 8.290 nan 0.000 0.544 87 P HA 0.315 nan 4.420 nan 0.000 0.268 87 P C -0.286 176.948 177.300 -0.111 0.000 1.204 87 P CA 0.522 63.622 63.100 0.001 0.000 0.768 87 P CB 0.853 32.598 31.700 0.075 0.000 0.842 88 E N 1.933 122.073 120.200 -0.101 0.000 2.288 88 E HA 0.508 4.858 4.350 -0.000 0.000 0.268 88 E C -0.441 176.093 176.600 -0.110 0.000 0.885 88 E CA -0.882 55.434 56.400 -0.141 0.000 0.767 88 E CB 1.931 31.577 29.700 -0.090 0.000 1.220 88 E HN 0.375 nan 8.360 nan 0.000 0.427 89 I N 2.614 123.107 120.570 -0.130 0.000 2.336 89 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 89 I C 0.075 176.181 176.117 -0.018 0.000 0.991 89 I CA -0.464 60.793 61.300 -0.071 0.000 1.227 89 I CB 0.792 38.736 38.000 -0.092 0.000 1.366 89 I HN 0.225 nan 8.210 nan 0.000 0.466 90 R N 3.140 123.647 120.500 0.012 0.000 2.795 90 R HA 0.468 4.808 4.340 -0.000 0.000 0.275 90 R C -0.314 176.023 176.300 0.061 0.000 0.981 90 R CA -0.752 55.376 56.100 0.045 0.000 0.917 90 R CB 2.543 32.871 30.300 0.047 0.000 1.202 90 R HN 0.725 nan 8.270 nan 0.000 0.469 91 T N -1.120 113.506 114.554 0.120 0.000 2.766 91 T HA 0.290 4.640 4.350 -0.000 0.000 0.295 91 T C 0.920 175.691 174.700 0.119 0.000 1.024 91 T CA -0.323 61.878 62.100 0.168 0.000 1.018 91 T CB 1.031 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 -0.013 108.880 108.800 0.154 0.000 2.504 92 G HA2 0.441 4.401 3.960 -0.000 0.000 0.257 92 G HA3 0.441 4.401 3.960 -0.000 0.000 0.257 92 G C -0.383 174.363 174.900 -0.257 0.000 1.451 92 G CA -0.888 44.276 45.100 0.106 0.000 1.059 92 G HN 0.875 nan 8.290 nan 0.000 0.550 93 Q N -0.806 118.847 119.800 -0.245 0.000 2.260 93 Q HA 0.426 4.766 4.340 -0.000 0.000 0.242 93 Q C -1.345 174.347 176.000 -0.514 0.000 0.932 93 Q CA 0.015 55.647 55.803 -0.285 0.000 0.891 93 Q CB 1.597 30.276 28.738 -0.099 0.000 1.222 93 Q HN 0.340 nan 8.270 nan 0.000 0.453 94 F N -0.303 119.667 119.950 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 56.820 58.000 0.026 0.000 0.995 94 F CB 0.958 39.934 39.000 -0.039 0.000 1.170 94 F HN 0.173 nan 8.300 nan 0.000 0.478 95 V N 2.054 122.098 119.914 0.218 0.000 2.673 95 V HA 0.298 4.418 4.120 -0.000 0.000 0.303 95 V C 0.970 177.128 176.094 0.107 0.000 1.046 95 V CA 1.053 63.428 62.300 0.126 0.000 1.126 95 V CB 0.366 32.254 31.823 0.109 0.000 0.934 95 V HN 1.073 nan 8.190 nan 0.000 0.487 96 G N 3.579 112.420 108.800 0.068 0.000 2.155 96 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G C 1.193 176.123 174.900 0.050 0.000 0.983 96 G CA 0.693 45.821 45.100 0.047 0.000 0.676 96 G HN 2.265 nan 8.290 nan 0.000 0.528 97 G N -1.117 107.729 108.800 0.077 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 0.151 175.118 174.900 0.111 0.000 0.997 97 G CA 1.350 46.499 45.100 0.081 0.000 0.621 97 G HN 1.740 nan 8.290 nan 0.000 0.534 98 D N -0.719 119.732 120.400 0.084 0.000 2.579 98 D HA 0.808 5.448 4.640 -0.000 0.000 0.257 98 D C -0.564 175.644 176.300 -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 1.173 nan 8.370 nan 0.000 0.454 99 A N 1.003 123.570 122.820 -0.422 0.000 2.480 99 A HA 0.507 4.827 4.320 -0.000 0.000 0.289 99 A C -1.558 175.770 177.584 -0.426 0.000 1.044 99 A CA -0.625 51.118 52.037 -0.491 0.000 0.761 99 A CB 1.324 19.782 19.000 -0.902 0.000 1.289 99 A HN 0.330 nan 8.150 nan 0.000 0.401 100 V N 4.625 124.389 119.914 -0.248 0.000 2.322 100 V HA 0.234 4.354 4.120 -0.000 0.000 0.258 100 V C -0.042 175.968 176.094 -0.141 0.000 1.074 100 V CA -0.137 62.054 62.300 -0.182 0.000 0.909 100 V CB 0.481 32.236 31.823 -0.112 0.000 1.090 100 V HN 0.819 nan 8.190 nan 0.000 0.486 101 M N 4.725 124.234 119.600 -0.152 0.000 2.108 101 M HA 0.393 4.873 4.480 -0.000 0.000 0.347 101 M C 0.276 176.557 176.300 -0.032 0.000 1.326 101 M CA 0.223 55.474 55.300 -0.082 0.000 1.126 101 M CB 0.375 32.929 32.600 -0.076 0.000 1.606 101 M HN 0.578 nan 8.290 nan 0.000 0.462 102 E N 2.229 122.421 120.200 -0.015 0.000 2.248 102 E HA 0.391 4.741 4.350 -0.000 0.000 0.272 102 E C -0.188 176.417 176.600 0.007 0.000 1.008 102 E CA -0.895 55.503 56.400 -0.004 0.000 0.856 102 E CB 2.020 31.717 29.700 -0.005 0.000 1.120 102 E HN 0.458 nan 8.360 nan 0.000 0.397 103 R N 0.536 121.040 120.500 0.008 0.000 2.537 103 R HA 0.123 4.463 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 1.332 57.438 56.100 0.011 0.000 1.057 103 R CB 0.046 30.350 30.300 0.007 0.000 0.973 103 R HN 0.856 nan 8.270 nan 0.000 0.438 104 G N 2.178 110.985 108.800 0.012 0.000 2.268 104 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G C 0.180 175.082 174.900 0.004 0.000 1.010 104 G CA 0.119 45.224 45.100 0.008 0.000 0.618 104 G HN 0.972 nan 8.290 nan 0.000 0.516 105 A N 0.389 123.212 122.820 0.005 0.000 2.466 105 A HA 0.583 4.903 4.320 -0.000 0.000 0.238 105 A C 0.698 178.273 177.584 -0.015 0.000 1.074 105 A CA 1.501 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 1.202 115.740 114.554 -0.027 0.000 2.799 106 T HA 0.507 4.856 4.350 -0.000 0.000 0.286 106 T C 0.070 174.702 174.700 -0.114 0.000 0.973 106 T CA 0.120 62.158 62.100 -0.102 0.000 1.035 106 T CB 0.167 68.971 68.868 -0.108 0.000 0.932 106 T HN 1.184 nan 8.240 nan 0.000 0.469 107 C N 2.545 121.715 119.300 -0.218 0.000 3.154 107 C HA 0.859 5.319 4.460 -0.000 0.000 0.312 107 C C -1.749 172.968 174.990 -0.455 0.000 1.349 107 C CA -1.227 57.703 59.018 -0.146 0.000 1.518 107 C CB 0.322 28.123 27.740 0.102 0.000 1.934 107 C HN 0.804 nan 8.230 nan 0.000 0.462 108 Y N 0.873 121.146 120.300 -0.045 0.000 2.361 108 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 108 Y C 0.298 176.006 175.900 -0.319 0.000 0.965 108 Y CA -0.689 57.322 58.100 -0.148 0.000 1.091 108 Y CB 2.065 40.443 38.460 -0.136 0.000 1.182 108 Y HN 0.826 nan 8.280 nan 0.000 0.450 109 V N 0.498 120.249 119.914 -0.272 0.000 2.417 109 V HA 0.837 4.957 4.120 -0.000 0.000 0.291 109 V C -0.485 175.451 176.094 -0.263 0.000 1.024 109 V CA -0.274 61.734 62.300 -0.488 0.000 0.861 109 V CB 1.432 32.940 31.823 -0.524 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 -0.242 0.000 2.907 110 T HA 0.570 4.920 4.350 -0.000 0.000 0.292 110 T C 0.788 175.470 174.700 -0.030 0.000 1.043 110 T CA 0.320 62.349 62.100 -0.118 0.000 1.003 110 T CB 1.869 70.637 68.868 -0.168 0.000 1.084 110 T HN 1.162 nan 8.240 nan 0.000 0.483 111 T N 0.021 114.578 114.554 0.005 0.000 3.105 111 T HA 0.211 4.561 4.350 -0.000 0.000 0.253 111 T C 0.366 175.243 174.700 0.295 0.000 1.047 111 T CA -0.371 61.769 62.100 0.066 0.000 0.944 111 T CB -0.150 68.697 68.868 -0.034 0.000 1.016 111 T HN 0.525 nan 8.240 nan 0.000 0.544 112 D N 3.709 124.264 120.400 0.259 0.000 2.412 112 D HA 0.094 4.734 4.640 -0.000 0.000 0.257 112 D C -1.028 175.449 176.300 0.294 0.000 1.217 112 D CA -2.167 51.989 54.000 0.261 0.000 0.897 112 D CB 1.521 42.469 40.800 0.248 0.000 1.132 112 D HN 0.105 nan 8.370 nan 0.000 0.493 113 P HA -0.081 nan 4.420 nan 0.000 0.223 113 P C 1.088 178.264 177.300 -0.206 0.000 1.151 113 P CA 0.580 63.593 63.100 -0.144 0.000 0.787 113 P CB 0.078 31.757 31.700 -0.036 0.000 0.788 114 A N -0.347 122.435 122.820 -0.063 0.000 2.054 114 A HA -0.187 4.133 4.320 -0.000 0.000 0.223 114 A C 1.639 179.006 177.584 -0.361 0.000 1.169 114 A CA 1.469 53.397 52.037 -0.181 0.000 0.655 114 A CB -1.820 17.087 19.000 -0.156 0.000 0.812 114 A HN 0.193 nan 8.150 nan 0.000 0.462 115 F N -1.152 118.704 119.950 -0.157 0.000 2.693 115 F HA 0.343 4.870 4.527 -0.000 0.000 0.303 115 F C 2.194 177.883 175.800 -0.186 0.000 1.097 115 F CA 0.233 58.174 58.000 -0.099 0.000 1.330 115 F CB 0.073 39.094 39.000 0.036 0.000 1.067 115 F HN 0.230 nan 8.300 nan 0.000 0.565 116 A N 0.264 122.876 122.820 -0.346 0.000 2.015 116 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 116 A C 1.476 178.968 177.584 -0.153 0.000 1.163 116 A CA 1.933 53.722 52.037 -0.413 0.000 0.646 116 A CB -0.497 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 -1.459 118.860 120.400 -0.135 0.000 2.538 117 D HA 0.077 4.717 4.640 -0.000 0.000 0.231 117 D C 0.380 176.647 176.300 -0.054 0.000 1.229 117 D CA 0.045 53.992 54.000 -0.088 0.000 0.828 117 D CB -0.247 40.500 40.800 -0.088 0.000 1.035 117 D HN 0.541 nan 8.370 nan 0.000 0.495 118 K N -0.381 120.007 120.400 -0.020 0.000 3.147 118 K HA 0.383 4.703 4.320 -0.000 0.000 0.190 118 K C 0.433 177.159 176.600 0.209 0.000 1.094 118 K CA -0.741 55.572 56.287 0.045 0.000 1.024 118 K CB 0.404 32.873 32.500 -0.052 0.000 0.700 118 K HN -0.008 nan 8.250 nan 0.000 0.424 119 G N 1.112 110.035 108.800 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 0.349 45.674 45.100 0.374 0.000 0.874 119 G HN 0.420 nan 8.290 nan 0.000 0.561 120 T N -3.223 111.655 114.554 0.539 0.000 2.762 120 T HA 0.390 4.740 4.350 -0.000 0.000 0.301 120 T C 1.083 175.985 174.700 0.336 0.000 1.299 120 T CA -0.161 62.164 62.100 0.375 0.000 1.005 120 T CB 1.581 70.598 68.868 0.248 0.000 1.377 120 T HN 0.636 nan 8.240 nan 0.000 0.504 121 K N 0.226 120.708 120.400 0.136 0.000 2.211 121 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 121 K C 0.926 177.660 176.600 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 2.103 122 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 122 D C 0.281 176.774 176.300 0.322 0.000 0.978 122 D CA 1.184 55.336 54.000 0.252 0.000 0.829 122 D CB 0.204 41.126 40.800 0.202 0.000 0.981 122 D HN 0.281 nan 8.370 nan 0.000 0.464 123 K N -0.309 120.296 120.400 0.343 0.000 2.571 123 K HA 0.319 4.639 4.320 -0.000 0.000 0.252 123 K C -1.749 175.071 176.600 0.368 0.000 0.956 123 K CA -0.571 55.861 56.287 0.242 0.000 0.822 123 K CB 1.181 33.693 32.500 0.019 0.000 1.286 123 K HN -0.064 nan 8.250 nan 0.000 0.439 124 F N 0.926 120.978 119.950 0.169 0.000 2.715 124 F HA 0.542 5.069 4.527 -0.000 0.000 0.318 124 F C -1.778 174.135 175.800 0.187 0.000 1.141 124 F CA -1.316 56.811 58.000 0.212 0.000 0.950 124 F CB 0.607 39.804 39.000 0.329 0.000 1.374 124 F HN 0.383 nan 8.300 nan 0.000 0.477 125 Y N 2.146 122.563 120.300 0.195 0.000 2.323 125 Y HA 0.741 5.291 4.550 -0.000 0.000 0.331 125 Y C -1.046 174.933 175.900 0.131 0.000 1.092 125 Y CA -1.363 56.790 58.100 0.088 0.000 1.150 125 Y CB 1.052 39.587 38.460 0.125 0.000 1.200 125 Y HN 0.611 nan 8.280 nan 0.000 0.472 126 I N 5.732 126.052 120.570 -0.418 0.000 2.433 126 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 126 I C -0.224 175.406 176.117 -0.811 0.000 1.001 126 I CA -0.709 60.363 61.300 -0.381 0.000 1.119 126 I CB 1.773 39.688 38.000 -0.141 0.000 1.289 126 I HN 0.704 nan 8.210 nan 0.000 0.438 127 D N 4.836 124.892 120.400 -0.574 0.000 2.319 127 D HA -0.140 4.500 4.640 -0.000 0.000 0.230 127 D C -0.073 176.187 176.300 -0.066 0.000 1.094 127 D CA 0.090 53.809 54.000 -0.469 0.000 0.856 127 D CB -0.079 40.702 40.800 -0.030 0.000 0.915 127 D HN 0.293 nan 8.370 nan 0.000 0.517 128 Y N 2.065 122.255 120.300 -0.182 0.000 2.518 128 Y HA 0.251 4.801 4.550 -0.000 0.000 0.344 128 Y C 1.021 176.887 175.900 -0.057 0.000 0.982 128 Y CA -1.115 56.943 58.100 -0.071 0.000 1.234 128 Y CB 0.976 39.410 38.460 -0.042 0.000 1.114 128 Y HN -0.218 nan 8.280 nan 0.000 0.515 129 Q N 3.058 122.810 119.800 -0.080 0.000 2.291 129 Q HA -0.141 4.199 4.340 -0.000 0.000 0.206 129 Q C 0.585 176.396 176.000 -0.316 0.000 0.976 129 Q CA 1.004 56.721 55.803 -0.143 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 0.549 118.848 118.700 -0.668 0.000 2.370 130 N HA -0.022 4.718 4.740 -0.000 0.000 0.198 130 N C 1.402 176.462 175.510 -0.750 0.000 1.156 130 N CA -0.051 52.594 53.050 -0.676 0.000 0.839 130 N CB 0.070 38.204 38.487 -0.588 0.000 0.989 130 N HN 0.125 nan 8.380 nan 0.000 0.468 131 L N 0.695 121.500 121.223 -0.697 0.000 1.997 131 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 131 L C 1.959 178.754 176.870 -0.127 0.000 1.074 131 L CA 1.774 56.431 54.840 -0.305 0.000 0.763 131 L CB -0.871 41.111 42.059 -0.129 0.000 0.890 131 L HN 0.045 nan 8.230 nan 0.000 0.434 132 S N -0.756 114.889 115.700 -0.092 0.000 2.382 132 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 132 S C 1.809 176.428 174.600 0.032 0.000 1.027 132 S CA 1.439 59.665 58.200 0.043 0.000 0.991 132 S CB -0.261 62.960 63.200 0.034 0.000 0.823 132 S HN 0.490 nan 8.310 nan 0.000 0.469 133 K N 0.540 120.898 120.400 -0.071 0.000 2.211 133 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 133 K C 1.720 178.308 176.600 -0.019 0.000 1.050 133 K CA 0.825 57.073 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 0.965 120.871 119.914 -0.014 0.000 2.992 134 V HA -0.010 4.110 4.120 -0.000 0.000 0.250 134 V C 0.786 176.905 176.094 0.041 0.000 1.090 134 V CA 0.513 62.834 62.300 0.036 0.000 1.101 134 V CB 0.601 32.488 31.823 0.107 0.000 0.743 134 V HN -0.054 nan 8.190 nan 0.000 0.468 135 V N 0.661 120.601 119.914 0.044 0.000 2.713 135 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 135 V C 0.027 176.141 176.094 0.034 0.000 1.052 135 V CA -0.650 61.660 62.300 0.018 0.000 0.967 135 V CB 1.724 33.540 31.823 -0.012 0.000 1.019 135 V HN 0.360 nan 8.190 nan 0.000 0.459 136 R N 2.636 123.124 120.500 -0.021 0.000 2.888 136 R HA 0.499 4.839 4.340 -0.000 0.000 0.266 136 R C -2.824 173.406 176.300 -0.117 0.000 1.020 136 R CA -2.123 53.964 56.100 -0.022 0.000 0.963 136 R CB 1.368 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 -0.077 nan 4.420 nan 0.000 0.260 137 P C 0.536 177.743 177.300 -0.155 0.000 1.172 137 P CA 1.400 64.409 63.100 -0.152 0.000 0.760 137 P CB 0.444 32.083 31.700 -0.101 0.000 0.773 138 G N 2.568 111.238 108.800 -0.218 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 0.473 175.088 174.900 -0.474 0.000 1.044 138 G CA -0.464 44.465 45.100 -0.286 0.000 0.633 138 G HN 0.523 nan 8.290 nan 0.000 0.506 139 N N 0.604 119.104 118.700 -0.333 0.000 2.374 139 N HA 0.388 5.128 4.740 -0.000 0.000 0.241 139 N C -0.458 174.803 175.510 -0.415 0.000 1.262 139 N CA 0.502 53.365 53.050 -0.312 0.000 0.880 139 N CB 0.051 38.446 38.487 -0.153 0.000 1.105 139 N HN 0.345 nan 8.380 nan 0.000 0.438 140 Y N 0.341 120.602 120.300 -0.066 0.000 2.420 140 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 140 Y C 0.377 176.223 175.900 -0.090 0.000 1.094 140 Y CA -0.540 57.536 58.100 -0.039 0.000 1.126 140 Y CB 1.172 39.630 38.460 -0.003 0.000 1.217 140 Y HN 0.256 nan 8.280 nan 0.000 0.462 141 I N 3.883 124.564 120.570 0.186 0.000 2.439 141 I HA 0.218 4.388 4.170 -0.000 0.000 0.283 141 I C -1.334 174.968 176.117 0.309 0.000 1.023 141 I CA -0.858 60.525 61.300 0.138 0.000 1.100 141 I CB 0.750 38.814 38.000 0.106 0.000 1.238 141 I HN 0.426 nan 8.210 nan 0.000 0.445 142 Y N 6.669 127.035 120.300 0.110 0.000 2.313 142 Y HA 0.561 5.111 4.550 -0.000 0.000 0.332 142 Y C 0.255 176.214 175.900 0.097 0.000 1.071 142 Y CA -1.268 56.885 58.100 0.088 0.000 1.169 142 Y CB 1.024 39.519 38.460 0.057 0.000 1.192 142 Y HN 0.304 nan 8.280 nan 0.000 0.487 143 I N 2.552 123.274 120.570 0.254 0.000 2.582 143 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 143 I C -0.547 175.660 176.117 0.149 0.000 1.066 143 I CA -0.838 60.581 61.300 0.199 0.000 1.053 143 I CB 1.998 40.132 38.000 0.222 0.000 1.241 143 I HN 0.541 nan 8.210 nan 0.000 0.421 144 D N 4.787 125.266 120.400 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 0.074 0.000 1.103 144 D CA 1.078 55.146 54.000 0.114 0.000 0.710 144 D CB -0.642 40.259 40.800 0.167 0.000 1.084 144 D HN 0.854 nan 8.370 nan 0.000 0.435 145 D N -1.899 118.540 120.400 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 1.846 55.868 54.000 0.036 0.000 0.986 145 D CB -1.480 39.331 40.800 0.018 0.000 1.090 145 D HN 1.235 nan 8.370 nan 0.000 0.428 146 G N 0.216 109.024 108.800 0.014 0.000 2.143 146 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G C 1.149 175.853 174.900 -0.326 0.000 0.981 146 G CA 0.499 45.490 45.100 -0.182 0.000 0.665 146 G HN 0.513 nan 8.290 nan 0.000 0.528 147 I N -0.755 119.707 120.570 -0.181 0.000 2.286 147 I HA 0.088 4.258 4.170 -0.000 0.000 0.245 147 I C 1.382 177.360 176.117 -0.231 0.000 1.104 147 I CA 0.721 61.860 61.300 -0.268 0.000 1.397 147 I CB -0.014 37.764 38.000 -0.370 0.000 1.072 147 I HN 0.268 nan 8.210 nan 0.000 0.417 148 L N 1.884 123.075 121.223 -0.054 0.000 2.264 148 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 148 L C -0.554 176.340 176.870 0.041 0.000 1.044 148 L CA 0.116 54.980 54.840 0.039 0.000 0.807 148 L CB 0.714 42.864 42.059 0.151 0.000 1.192 148 L HN -0.043 nan 8.230 nan 0.000 0.425 149 I N 6.753 127.341 120.570 0.029 0.000 2.359 149 I HA 0.301 4.471 4.170 -0.000 0.000 0.284 149 I C -0.605 175.626 176.117 0.189 0.000 1.018 149 I CA -0.424 60.951 61.300 0.125 0.000 1.173 149 I CB 1.024 39.030 38.000 0.010 0.000 1.326 149 I HN 0.490 nan 8.210 nan 0.000 0.462 150 L N 6.038 127.405 121.223 0.239 0.000 2.357 150 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 150 L C -0.062 176.937 176.870 0.215 0.000 1.080 150 L CA -0.519 54.430 54.840 0.182 0.000 0.803 150 L CB 1.271 43.421 42.059 0.152 0.000 1.174 150 L HN 0.583 nan 8.230 nan 0.000 0.443 151 Q N 1.454 121.327 119.800 0.123 0.000 2.316 151 Q HA 0.406 4.746 4.340 -0.000 0.000 0.264 151 Q C -1.248 174.690 176.000 -0.103 0.000 0.987 151 Q CA -0.754 55.045 55.803 -0.006 0.000 0.852 151 Q CB 2.307 31.017 28.738 -0.046 0.000 1.287 151 Q HN 0.459 nan 8.270 nan 0.000 0.448 152 V N 5.011 124.823 119.914 -0.170 0.000 2.479 152 V HA -0.027 4.093 4.120 -0.000 0.000 0.281 152 V C 0.656 176.634 176.094 -0.194 0.000 1.031 152 V CA 0.180 62.368 62.300 -0.186 0.000 1.038 152 V CB 1.125 32.827 31.823 -0.202 0.000 0.981 152 V HN 0.875 nan 8.190 nan 0.000 0.478 153 Q N 3.001 122.694 119.800 -0.178 0.000 2.387 153 Q HA 0.212 4.552 4.340 -0.000 0.000 0.208 153 Q C 0.676 176.586 176.000 -0.150 0.000 0.935 153 Q CA 0.818 56.535 55.803 -0.145 0.000 0.891 153 Q CB 0.686 29.354 28.738 -0.116 0.000 1.007 153 Q HN 0.897 nan 8.270 nan 0.000 0.548 154 S N -0.954 114.636 115.700 -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 0.697 63.867 63.200 -0.051 0.000 1.122 154 S HN 0.226 nan 8.310 nan 0.000 0.466 155 H N 1.061 120.121 119.070 -0.016 0.000 2.911 155 H HA 0.372 4.928 4.556 -0.000 0.000 0.273 155 H C 1.110 176.445 175.328 0.011 0.000 1.157 155 H CA -0.164 55.877 56.048 -0.011 0.000 1.402 155 H CB 1.141 30.890 29.762 -0.022 0.000 1.463 155 H HN 0.856 nan 8.280 nan 0.000 0.475 156 E N 2.672 122.941 120.200 0.115 0.000 2.070 156 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 156 E C 0.171 176.807 176.600 0.060 0.000 1.004 156 E CA 2.110 58.571 56.400 0.101 0.000 0.805 156 E CB 0.315 30.094 29.700 0.132 0.000 0.744 156 E HN 0.877 nan 8.360 nan 0.000 0.451 157 D N -2.909 117.528 120.400 0.062 0.000 2.921 157 D HA 0.135 4.775 4.640 -0.000 0.000 0.329 157 D C 0.242 176.560 176.300 0.029 0.000 1.293 157 D CA -0.567 53.451 54.000 0.031 0.000 0.964 157 D CB -0.301 40.498 40.800 -0.002 0.000 1.435 157 D HN -0.048 nan 8.370 nan 0.000 0.548 158 E N -1.113 119.082 120.200 -0.008 0.000 2.409 158 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 158 E C 0.672 177.260 176.600 -0.020 0.000 1.024 158 E CA 0.858 57.238 56.400 -0.034 0.000 0.861 158 E CB 0.111 29.784 29.700 -0.045 0.000 0.788 158 E HN 0.350 nan 8.360 nan 0.000 0.521 159 Q N -0.884 118.916 119.800 -0.001 0.000 2.140 159 Q HA 0.127 4.467 4.340 -0.000 0.000 0.227 159 Q C -0.547 175.449 176.000 -0.008 0.000 0.798 159 Q CA 0.130 55.931 55.803 -0.003 0.000 0.987 159 Q CB 1.860 30.604 28.738 0.009 0.000 1.161 159 Q HN -0.076 nan 8.270 nan 0.000 0.480 160 T N 0.832 115.392 114.554 0.010 0.000 2.916 160 T HA 0.538 4.888 4.350 -0.000 0.000 0.298 160 T C -0.942 173.780 174.700 0.037 0.000 1.031 160 T CA -0.504 61.593 62.100 -0.005 0.000 0.993 160 T CB 1.507 70.357 68.868 -0.030 0.000 1.045 160 T HN 0.023 nan 8.240 nan 0.000 0.454 161 L N 2.335 123.550 121.223 -0.012 0.000 2.322 161 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 161 L C 0.479 177.302 176.870 -0.079 0.000 1.014 161 L CA -0.879 53.918 54.840 -0.070 0.000 0.815 161 L CB 1.688 43.663 42.059 -0.140 0.000 1.247 161 L HN 0.645 nan 8.230 nan 0.000 0.421 162 E N 2.603 122.745 120.200 -0.096 0.000 2.259 162 E HA 0.282 4.632 4.350 -0.000 0.000 0.281 162 E C -1.381 175.039 176.600 -0.300 0.000 1.037 162 E CA -0.456 55.756 56.400 -0.313 0.000 0.854 162 E CB 1.055 30.666 29.700 -0.149 0.000 1.051 162 E HN 0.595 nan 8.360 nan 0.000 0.409 163 C N 3.281 122.367 119.300 -0.357 0.000 2.614 163 C HA 0.451 4.911 4.460 -0.000 0.000 0.320 163 C C -0.006 174.882 174.990 -0.170 0.000 1.200 163 C CA -0.651 58.245 59.018 -0.204 0.000 1.700 163 C CB 1.695 29.355 27.740 -0.133 0.000 2.275 163 C HN 0.723 nan 8.230 nan 0.000 0.492 164 T N 1.809 116.308 114.554 -0.093 0.000 2.845 164 T HA 0.358 4.708 4.350 -0.000 0.000 0.288 164 T C -0.097 174.606 174.700 0.006 0.000 0.980 164 T CA -0.205 61.868 62.100 -0.044 0.000 1.071 164 T CB 0.865 69.720 68.868 -0.022 0.000 0.941 164 T HN 0.446 nan 8.240 nan 0.000 0.487 165 V N 4.346 124.269 119.914 0.015 0.000 2.389 165 V HA 0.147 4.267 4.120 -0.000 0.000 0.264 165 V C 1.783 177.905 176.094 0.046 0.000 1.049 165 V CA -0.034 62.292 62.300 0.043 0.000 0.932 165 V CB 0.575 32.420 31.823 0.037 0.000 1.011 165 V HN 1.187 nan 8.190 nan 0.000 0.475 166 T N 0.934 115.529 114.554 0.067 0.000 3.067 166 T HA 0.057 4.407 4.350 -0.000 0.000 0.257 166 T C 0.604 175.320 174.700 0.027 0.000 1.105 166 T CA 0.359 62.495 62.100 0.060 0.000 1.104 166 T CB -0.081 68.847 68.868 0.100 0.000 0.925 166 T HN 0.703 nan 8.240 nan 0.000 0.498 167 N N -0.102 118.610 118.700 0.020 0.000 2.484 167 N HA 0.239 4.979 4.740 -0.000 0.000 0.269 167 N C -1.785 173.736 175.510 0.017 0.000 1.237 167 N CA -0.616 52.434 53.050 0.000 0.000 0.838 167 N CB 1.619 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 0.282 115.992 115.700 0.017 0.000 2.565 168 S HA 0.363 4.833 4.470 -0.000 0.000 0.276 168 S C -0.879 173.785 174.600 0.106 0.000 1.326 168 S CA 0.145 58.367 58.200 0.037 0.000 1.045 168 S CB -0.286 62.925 63.200 0.019 0.000 0.918 168 S HN 0.729 nan 8.310 nan 0.000 0.505 169 H N 0.267 119.303 119.070 -0.057 0.000 3.136 169 H HA 0.219 4.775 4.556 -0.000 0.000 0.313 169 H C -1.099 174.170 175.328 -0.098 0.000 1.103 169 H CA -0.368 55.639 56.048 -0.069 0.000 1.437 169 H CB 0.405 30.128 29.762 -0.065 0.000 2.063 169 H HN 0.516 nan 8.280 nan 0.000 0.495 170 T N 5.978 120.255 114.554 -0.461 0.000 2.832 170 T HA 0.498 4.848 4.350 -0.000 0.000 0.296 170 T C 0.388 174.697 174.700 -0.652 0.000 0.968 170 T CA -0.350 61.483 62.100 -0.446 0.000 1.107 170 T CB -0.224 68.466 68.868 -0.297 0.000 0.916 170 T HN 0.447 nan 8.240 nan 0.000 0.517 171 I N 0.517 120.787 120.570 -0.500 0.000 2.465 171 I HA 0.709 4.879 4.170 -0.000 0.000 0.291 171 I C 0.320 176.232 176.117 -0.340 0.000 1.014 171 I CA -0.901 60.154 61.300 -0.408 0.000 1.093 171 I CB 2.034 39.836 38.000 -0.331 0.000 1.267 171 I HN 0.543 nan 8.210 nan 0.000 0.431 172 S N 2.687 118.312 115.700 -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 0.577 63.783 63.200 0.009 0.000 1.127 172 S HN 0.650 nan 8.310 nan 0.000 0.537 173 D N 1.056 121.599 120.400 0.238 0.000 2.488 173 D HA 0.163 4.803 4.640 -0.000 0.000 0.238 173 D C 0.206 176.579 176.300 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 0.251 120.799 120.500 0.079 0.000 3.332 174 R HA -0.235 4.105 4.340 -0.000 0.000 0.263 174 R C -0.211 176.144 176.300 0.091 0.000 1.053 174 R CA 0.275 56.416 56.100 0.069 0.000 0.705 174 R CB -1.244 29.084 30.300 0.048 0.000 1.166 174 R HN 0.305 nan 8.270 nan 0.000 0.427 175 R N 0.242 120.820 120.500 0.129 0.000 2.615 175 R HA 0.316 4.656 4.340 -0.000 0.000 0.270 175 R C 1.017 177.377 176.300 0.101 0.000 1.081 175 R CA 0.849 57.017 56.100 0.113 0.000 1.154 175 R CB 0.631 31.006 30.300 0.124 0.000 1.063 175 R HN 0.321 nan 8.270 nan 0.000 0.519 176 G N 0.430 109.275 108.800 0.077 0.000 2.467 176 G HA2 0.406 4.366 3.960 -0.000 0.000 0.257 176 G HA3 0.406 4.366 3.960 -0.000 0.000 0.257 176 G C -0.858 174.091 174.900 0.081 0.000 1.227 176 G CA -0.324 44.807 45.100 0.053 0.000 0.835 176 G HN 0.489 nan 8.290 nan 0.000 0.556 177 V N 0.330 120.282 119.914 0.063 0.000 2.864 177 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 177 V C -0.482 175.647 176.094 0.058 0.000 1.073 177 V CA -1.303 61.056 62.300 0.099 0.000 0.956 177 V CB 2.016 33.913 31.823 0.124 0.000 1.023 177 V HN 0.775 nan 8.190 nan 0.000 0.435 178 N N 2.734 121.492 118.700 0.096 0.000 2.469 178 N HA 0.665 5.405 4.740 -0.000 0.000 0.286 178 N C -1.875 173.621 175.510 -0.022 0.000 1.275 178 N CA -0.567 52.507 53.050 0.039 0.000 0.790 178 N CB 2.114 40.645 38.487 0.074 0.000 1.446 178 N HN 0.507 nan 8.380 nan 0.000 0.501 179 L N 2.077 123.269 121.223 -0.051 0.000 2.480 179 L HA 0.329 4.669 4.340 -0.000 0.000 0.253 179 L C -1.826 174.979 176.870 -0.108 0.000 1.324 179 L CA -1.531 53.266 54.840 -0.072 0.000 0.916 179 L CB 1.013 43.085 42.059 0.022 0.000 1.160 179 L HN 0.377 nan 8.230 nan 0.000 0.503 180 P HA -0.017 nan 4.420 nan 0.000 0.223 180 P C 1.090 178.310 177.300 -0.133 0.000 1.151 180 P CA 0.791 63.793 63.100 -0.164 0.000 0.787 180 P CB 0.509 32.056 31.700 -0.254 0.000 0.788 181 G N -1.585 107.141 108.800 -0.124 0.000 3.707 181 G HA2 0.255 4.215 3.960 -0.000 0.000 0.286 181 G HA3 0.255 4.215 3.960 -0.000 0.000 0.286 181 G C -0.451 174.370 174.900 -0.133 0.000 1.112 181 G CA -0.015 44.996 45.100 -0.148 0.000 0.861 181 G HN 0.240 nan 8.290 nan 0.000 0.534 182 C N 0.633 119.873 119.300 -0.099 0.000 2.547 182 C HA 0.410 4.870 4.460 -0.000 0.000 0.313 182 C C -0.939 174.045 174.990 -0.010 0.000 1.191 182 C CA -1.257 57.740 59.018 -0.034 0.000 1.474 182 C CB 1.880 29.628 27.740 0.014 0.000 2.081 182 C HN 0.373 nan 8.230 nan 0.000 0.476 183 D N 2.754 123.159 120.400 0.008 0.000 2.422 183 D HA 0.205 4.845 4.640 -0.000 0.000 0.227 183 D C 0.025 176.363 176.300 0.063 0.000 1.190 183 D CA 0.245 54.258 54.000 0.021 0.000 0.905 183 D CB 1.015 41.825 40.800 0.017 0.000 1.034 183 D HN 0.220 nan 8.370 nan 0.000 0.507 184 V N 2.970 122.913 119.914 0.048 0.000 2.555 184 V HA 0.030 4.150 4.120 -0.000 0.000 0.286 184 V C 0.850 176.973 176.094 0.048 0.000 1.044 184 V CA -0.137 62.204 62.300 0.067 0.000 1.026 184 V CB 1.282 33.132 31.823 0.045 0.000 0.981 184 V HN 0.476 nan 8.190 nan 0.000 0.480 185 D N 3.439 123.935 120.400 0.161 0.000 2.696 185 D HA 0.174 4.814 4.640 -0.000 0.000 0.269 185 D C 0.155 176.543 176.300 0.148 0.000 1.319 185 D CA -0.424 53.654 54.000 0.131 0.000 0.826 185 D CB -0.199 40.685 40.800 0.140 0.000 1.086 185 D HN 0.361 nan 8.370 nan 0.000 0.481 186 L N 0.470 121.746 121.223 0.089 0.000 2.529 186 L HA 0.166 4.506 4.340 -0.000 0.000 0.287 186 L C -1.605 175.313 176.870 0.080 0.000 1.241 186 L CA -1.223 53.670 54.840 0.089 0.000 0.857 186 L CB -0.259 41.823 42.059 0.038 0.000 1.113 186 L HN -0.022 nan 8.230 nan 0.000 0.504 187 P HA 0.006 nan 4.420 nan 0.000 0.269 187 P C 0.024 177.360 177.300 0.061 0.000 1.217 187 P CA -0.177 62.960 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 1.385 124.231 122.820 0.044 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 0.061 0.000 1.175 188 A CA 1.426 53.489 52.037 0.043 0.000 0.627 188 A CB -0.491 18.523 19.000 0.024 0.000 0.815 188 A HN 0.411 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 0.389 176.515 176.094 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 0.039 0.000 0.995 189 V HN 0.569 nan 8.190 nan 0.000 0.424 190 S N 4.633 120.366 115.700 0.055 0.000 2.617 190 S HA 0.476 4.946 4.470 -0.000 0.000 0.259 190 S C 1.481 176.112 174.600 0.051 0.000 1.301 190 S CA 0.249 58.481 58.200 0.053 0.000 0.984 190 S CB 1.403 64.632 63.200 0.049 0.000 0.954 190 S HN 1.075 nan 8.310 nan 0.000 0.572 191 A N 0.836 123.685 122.820 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 1.614 53.679 52.037 0.047 0.000 0.627 191 A CB -0.899 18.126 19.000 0.041 0.000 0.815 191 A HN 0.918 nan 8.150 nan 0.000 0.443 192 K N -0.390 120.042 120.400 0.054 0.000 2.057 192 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 192 K C 1.239 177.902 176.600 0.104 0.000 1.049 192 K CA 1.666 57.994 56.287 0.069 0.000 0.931 192 K CB -0.259 32.276 32.500 0.060 0.000 0.714 192 K HN 0.354 nan 8.250 nan 0.000 0.440 193 D N 0.536 120.985 120.400 0.083 0.000 2.123 193 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 193 D C 2.020 178.357 176.300 0.062 0.000 0.992 193 D CA 1.070 55.110 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 2.191 178.543 176.300 0.088 0.000 1.136 194 R CA 0.764 56.900 56.100 0.060 0.000 0.959 194 R CB -0.149 30.183 30.300 0.054 0.000 0.856 194 R HN 0.056 nan 8.270 nan 0.000 0.437 195 V N 0.786 120.772 119.914 0.120 0.000 2.871 195 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 195 V C 1.186 177.446 176.094 0.276 0.000 1.082 195 V CA 1.534 63.949 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 0.104 120.624 120.400 0.200 0.000 2.137 196 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 196 D C 2.146 178.422 176.300 -0.039 0.000 0.970 196 D CA 0.953 55.026 54.000 0.121 0.000 0.837 196 D CB -0.100 40.733 40.800 0.056 0.000 0.981 196 D HN 0.300 nan 8.370 nan 0.000 0.475 197 L N 0.398 121.609 121.223 -0.020 0.000 2.046 197 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 197 L C 2.455 179.321 176.870 -0.008 0.000 1.077 197 L CA 0.940 55.755 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 0.033 119.862 119.800 0.048 0.000 2.124 198 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 198 Q C 2.004 178.040 176.000 0.060 0.000 0.977 198 Q CA 1.823 57.659 55.803 0.056 0.000 0.850 198 Q CB -0.461 28.329 28.738 0.087 0.000 0.901 198 Q HN 0.448 nan 8.270 nan 0.000 0.429 199 F N -0.374 119.538 119.950 -0.064 0.000 2.134 199 F HA -0.007 4.520 4.527 0.000 0.000 0.299 199 F C 1.823 177.543 175.800 -0.134 0.000 1.097 199 F CA 1.860 59.789 58.000 -0.118 0.000 1.264 199 F CB -0.591 38.208 39.000 -0.336 0.000 1.001 199 F HN 0.159 nan 8.300 nan 0.000 0.479 200 G N -0.011 108.743 108.800 -0.077 0.000 2.418 200 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 200 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 200 G C 1.701 176.490 174.900 -0.185 0.000 1.158 200 G CA 1.161 46.157 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 -0.131 0.000 2.343 201 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 201 V C 2.650 178.664 176.094 -0.134 0.000 1.051 201 V CA 2.248 64.483 62.300 -0.107 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 -0.168 0.000 2.077 202 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 202 E C 2.040 178.496 176.600 -0.241 0.000 0.989 202 E CA 1.059 57.350 56.400 -0.182 0.000 0.800 202 E CB -0.085 29.505 29.700 -0.183 0.000 0.746 202 E HN 0.489 nan 8.360 nan 0.000 0.452 203 Q N -0.654 118.922 119.800 -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 56.177 55.803 -0.338 0.000 0.946 203 Q CB 0.871 29.295 28.738 -0.523 0.000 1.062 203 Q HN 0.369 nan 8.270 nan 0.000 0.503 204 G N 1.460 110.156 108.800 -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 0.385 175.219 174.900 -0.111 0.000 1.055 204 G CA 0.399 45.426 45.100 -0.122 0.000 0.922 204 G HN 0.376 nan 8.290 nan 0.000 0.503 205 V N -2.697 117.142 119.914 -0.125 0.000 2.843 205 V HA 0.333 4.453 4.120 -0.000 0.000 0.305 205 V C 1.351 177.387 176.094 -0.097 0.000 1.065 205 V CA 0.539 62.773 62.300 -0.111 0.000 1.116 205 V CB 1.008 32.753 31.823 -0.130 0.000 0.968 205 V HN 0.246 nan 8.190 nan 0.000 0.487 206 D N 3.561 123.908 120.400 -0.089 0.000 2.117 206 D HA 0.013 4.653 4.640 -0.000 0.000 0.198 206 D C 0.798 177.056 176.300 -0.071 0.000 0.982 206 D CA 2.125 56.083 54.000 -0.070 0.000 0.828 206 D CB 0.113 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 -0.812 118.720 119.600 -0.114 0.000 2.622 207 M HA 0.460 4.940 4.480 -0.000 0.000 0.276 207 M C -1.668 174.519 176.300 -0.188 0.000 1.265 207 M CA -0.915 54.322 55.300 -0.106 0.000 0.850 207 M CB 2.997 35.568 32.600 -0.048 0.000 1.720 207 M HN -0.374 nan 8.290 nan 0.000 0.465 208 I N 2.413 122.924 120.570 -0.097 0.000 2.378 208 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 208 I C -1.326 174.856 176.117 0.108 0.000 0.992 208 I CA -0.374 60.871 61.300 -0.091 0.000 1.154 208 I CB 1.456 39.430 38.000 -0.043 0.000 1.315 208 I HN 0.597 nan 8.210 nan 0.000 0.448 209 F N 4.561 124.500 119.950 -0.018 0.000 2.368 209 F HA 0.427 4.954 4.527 0.000 0.000 0.362 209 F C 0.870 176.673 175.800 0.005 0.000 1.137 209 F CA -1.445 56.557 58.000 0.003 0.000 1.161 209 F CB 0.718 39.729 39.000 0.018 0.000 1.265 209 F HN 0.455 nan 8.300 nan 0.000 0.530 210 A N 3.149 126.082 122.820 0.188 0.000 2.310 210 A HA 0.499 4.819 4.320 -0.000 0.000 0.300 210 A C 0.510 178.163 177.584 0.115 0.000 1.269 210 A CA -0.352 51.753 52.037 0.113 0.000 0.909 210 A CB -0.104 18.942 19.000 0.077 0.000 1.144 210 A HN 0.598 nan 8.150 nan 0.000 0.540 211 S N 1.460 117.236 115.700 0.127 0.000 2.579 211 S HA 0.320 4.790 4.470 -0.000 0.000 0.275 211 S C 0.248 174.985 174.600 0.228 0.000 1.345 211 S CA 0.032 58.325 58.200 0.155 0.000 1.031 211 S CB -0.152 63.127 63.200 0.133 0.000 0.892 211 S HN 1.203 nan 8.310 nan 0.000 0.529 212 F N 0.938 120.897 119.950 0.015 0.000 2.943 212 F HA -0.165 4.362 4.527 -0.000 0.000 0.258 212 F C -0.409 175.394 175.800 0.004 0.000 0.995 212 F CA -0.285 57.719 58.000 0.006 0.000 0.896 212 F CB -1.160 37.838 39.000 -0.003 0.000 0.821 212 F HN 0.424 nan 8.300 nan 0.000 0.828 213 I N 4.001 124.559 120.570 -0.021 0.000 2.347 213 I HA 0.040 4.210 4.170 -0.000 0.000 0.294 213 I C 1.553 177.579 176.117 -0.152 0.000 1.090 213 I CA -0.095 61.163 61.300 -0.070 0.000 1.314 213 I CB 0.772 38.760 38.000 -0.021 0.000 1.423 213 I HN 0.251 nan 8.210 nan 0.000 0.503 214 R N 4.263 124.629 120.500 -0.223 0.000 2.115 214 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 214 R C 0.688 176.925 176.300 -0.106 0.000 1.100 214 R CA 0.470 56.451 56.100 -0.199 0.000 0.980 214 R CB -0.480 29.678 30.300 -0.237 0.000 0.875 214 R HN 0.657 nan 8.270 nan 0.000 0.445 215 S N -2.242 113.413 115.700 -0.076 0.000 2.596 215 S HA 0.618 5.088 4.470 -0.000 0.000 0.270 215 S C 0.426 175.007 174.600 -0.032 0.000 1.155 215 S CA -0.346 57.825 58.200 -0.048 0.000 0.827 215 S CB 1.762 64.938 63.200 -0.039 0.000 1.130 215 S HN 0.061 nan 8.310 nan 0.000 0.467 216 A N 0.806 123.611 122.820 -0.024 0.000 1.933 216 A HA -0.029 4.291 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 1.839 53.866 52.037 -0.017 0.000 0.628 216 A CB -1.141 17.850 19.000 -0.016 0.000 0.814 216 A HN 1.008 nan 8.150 nan 0.000 0.444 217 E N -0.423 119.769 120.200 -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 1.355 57.750 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 0.169 119.964 119.800 -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 0.173 28.901 28.738 -0.018 0.000 0.901 218 Q HN 0.287 nan 8.270 nan 0.000 0.429 219 V N 0.146 120.059 119.914 -0.002 0.000 2.343 219 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 219 V C 2.316 178.412 176.094 0.004 0.000 1.051 219 V CA 1.858 64.159 62.300 0.003 0.000 1.036 219 V CB -1.282 30.542 31.823 0.001 0.000 0.654 219 V HN 0.574 nan 8.190 nan 0.000 0.451 220 G N -0.189 108.612 108.800 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 1.007 46.109 45.100 0.003 0.000 0.769 220 G HN 0.502 nan 8.290 nan 0.000 0.547 221 D N 0.256 120.660 120.400 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 0.642 54.648 54.000 0.010 0.000 0.834 221 D CB -0.332 40.475 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 2.478 178.575 176.094 0.005 0.000 1.051 222 V CA 1.357 63.663 62.300 0.009 0.000 1.036 222 V CB -0.387 31.443 31.823 0.012 0.000 0.654 222 V HN 0.038 nan 8.190 nan 0.000 0.451 223 R N 1.000 121.503 120.500 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 0.003 0.000 0.968 223 R CB -0.503 29.799 30.300 0.004 0.000 0.861 223 R HN 0.533 nan 8.270 nan 0.000 0.440 224 K N -0.800 119.603 120.400 0.005 0.000 2.103 224 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 224 K C 1.812 178.416 176.600 0.007 0.000 1.052 224 K CA 1.116 57.407 56.287 0.006 0.000 0.945 224 K CB -0.155 32.349 32.500 0.008 0.000 0.722 224 K HN 0.212 nan 8.250 nan 0.000 0.443 225 A N 1.251 124.076 122.820 0.008 0.000 1.972 225 A HA -0.093 4.226 4.320 -0.000 0.000 0.219 225 A C 2.037 179.624 177.584 0.005 0.000 1.169 225 A CA 1.092 53.135 52.037 0.010 0.000 0.635 225 A CB -0.530 18.478 19.000 0.013 0.000 0.810 225 A HN 0.314 nan 8.150 nan 0.000 0.446 226 L N -1.334 119.888 121.223 -0.002 0.000 2.093 226 L HA 0.090 4.430 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 0.690 55.524 54.840 -0.010 0.000 0.755 226 L CB -1.010 41.040 42.059 -0.015 0.000 0.904 226 L HN 0.690 nan 8.230 nan 0.000 0.435 227 G N -0.816 107.983 108.800 -0.002 0.000 2.681 227 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G C -2.133 172.766 174.900 -0.002 0.000 1.353 227 G CA -0.244 44.856 45.100 -0.000 0.000 0.872 227 G HN 0.050 nan 8.290 nan 0.000 0.557 228 P HA 0.024 nan 4.420 nan 0.000 0.216 228 P C 1.841 179.138 177.300 -0.005 0.000 1.153 228 P CA 1.668 64.767 63.100 -0.001 0.000 0.848 228 P CB 0.026 31.726 31.700 0.001 0.000 0.787 229 K N -0.771 119.625 120.400 -0.007 0.000 2.209 229 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 229 K C 1.894 178.482 176.600 -0.019 0.000 1.048 229 K CA 1.492 57.771 56.287 -0.013 0.000 0.940 229 K CB -0.816 31.675 32.500 -0.016 0.000 0.729 229 K HN 0.211 nan 8.250 nan 0.000 0.451 230 G N 1.579 110.369 108.800 -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 1.281 176.172 174.900 -0.017 0.000 1.131 230 G CA -0.376 44.711 45.100 -0.023 0.000 0.773 230 G HN 0.288 nan 8.290 nan 0.000 0.544 231 R N 0.019 120.513 120.500 -0.010 0.000 2.152 231 R HA 0.000 4.340 4.340 -0.000 0.000 0.232 231 R C 0.488 176.786 176.300 -0.003 0.000 1.117 231 R CA 1.383 57.480 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 0.875 121.272 120.400 -0.006 0.000 2.340 232 D HA 0.204 4.843 4.640 -0.000 0.000 0.217 232 D C 0.226 176.521 176.300 -0.008 0.000 1.081 232 D CA 0.107 54.105 54.000 -0.003 0.000 0.842 232 D CB 0.226 41.025 40.800 -0.001 0.000 0.934 232 D HN 0.255 nan 8.370 nan 0.000 0.511 233 I N 1.119 121.680 120.570 -0.015 0.000 2.441 233 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 233 I C 0.751 176.863 176.117 -0.008 0.000 1.049 233 I CA -0.339 60.947 61.300 -0.022 0.000 1.381 233 I CB 0.947 38.924 38.000 -0.039 0.000 1.409 233 I HN -0.360 nan 8.210 nan 0.000 0.523 234 M N 6.657 126.257 119.600 -0.000 0.000 2.200 234 M HA 0.325 4.805 4.480 -0.000 0.000 0.355 234 M C -0.469 175.850 176.300 0.032 0.000 1.283 234 M CA 0.203 55.516 55.300 0.021 0.000 1.124 234 M CB 0.588 33.210 32.600 0.037 0.000 1.625 234 M HN 0.391 nan 8.290 nan 0.000 0.463 235 I N 4.888 125.481 120.570 0.038 0.000 2.306 235 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 235 I C -0.499 175.664 176.117 0.077 0.000 1.036 235 I CA -0.594 60.737 61.300 0.053 0.000 1.221 235 I CB 0.617 38.636 38.000 0.032 0.000 1.385 235 I HN 0.463 nan 8.210 nan 0.000 0.472 236 I N 5.764 126.416 120.570 0.137 0.000 2.315 236 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 236 I C 0.022 176.191 176.117 0.087 0.000 1.006 236 I CA -0.444 60.932 61.300 0.127 0.000 1.265 236 I CB 1.042 39.175 38.000 0.222 0.000 1.387 236 I HN 0.538 nan 8.210 nan 0.000 0.475 237 C N 6.695 126.014 119.300 0.032 0.000 2.265 237 C HA 0.305 4.765 4.460 -0.000 0.000 0.332 237 C C 0.801 175.788 174.990 -0.005 0.000 1.248 237 C CA -1.060 57.971 59.018 0.021 0.000 1.727 237 C CB -0.468 27.278 27.740 0.010 0.000 2.348 237 C HN 0.615 nan 8.230 nan 0.000 0.519 238 K N 3.544 123.949 120.400 0.009 0.000 2.339 238 K HA 0.392 4.712 4.320 -0.000 0.000 0.286 238 K C -0.296 176.315 176.600 0.019 0.000 1.050 238 K CA 0.003 56.290 56.287 0.000 0.000 0.956 238 K CB 0.506 33.023 32.500 0.029 0.000 0.990 238 K HN 0.516 nan 8.250 nan 0.000 0.475 239 I N 4.038 124.611 120.570 0.005 0.000 2.306 239 I HA 0.082 4.252 4.170 -0.000 0.000 0.288 239 I C 0.679 176.818 176.117 0.037 0.000 1.036 239 I CA 0.128 61.433 61.300 0.008 0.000 1.221 239 I CB 0.752 38.744 38.000 -0.013 0.000 1.385 239 I HN 0.793 nan 8.210 nan 0.000 0.472 240 E N 4.022 124.270 120.200 0.081 0.000 2.606 240 E HA 0.073 4.423 4.350 -0.000 0.000 0.224 240 E C -0.144 176.553 176.600 0.161 0.000 0.930 240 E CA -0.118 56.362 56.400 0.134 0.000 1.125 240 E CB 0.677 30.500 29.700 0.205 0.000 1.123 240 E HN 0.719 nan 8.360 nan 0.000 0.522 241 N N -0.804 117.965 118.700 0.115 0.000 3.102 241 N HA 0.073 4.813 4.740 -0.000 0.000 0.299 241 N C 0.448 175.999 175.510 0.068 0.000 1.482 241 N CA -0.644 52.476 53.050 0.116 0.000 0.785 241 N CB 0.434 39.002 38.487 0.135 0.000 1.680 241 N HN -0.178 nan 8.380 nan 0.000 0.594 242 H N -0.804 118.264 119.070 -0.002 0.000 2.321 242 H HA 0.024 4.580 4.556 -0.000 0.000 0.300 242 H C 1.486 176.792 175.328 -0.036 0.000 1.087 242 H CA 2.141 58.181 56.048 -0.013 0.000 1.319 242 H CB 0.272 30.030 29.762 -0.007 0.000 1.379 242 H HN 0.609 nan 8.280 nan 0.000 0.501 243 Q N -0.836 119.009 119.800 0.076 0.000 2.084 243 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 243 Q C 2.511 178.470 176.000 -0.068 0.000 0.978 243 Q CA 1.099 56.900 55.803 -0.003 0.000 0.844 243 Q CB -0.187 28.523 28.738 -0.048 0.000 0.898 243 Q HN 0.654 nan 8.270 nan 0.000 0.426 244 G N -0.119 108.627 108.800 -0.090 0.000 2.418 244 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 244 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 244 G C 1.455 176.310 174.900 -0.076 0.000 1.158 244 G CA 0.895 45.944 45.100 -0.084 0.000 0.771 244 G HN 0.228 nan 8.290 nan 0.000 0.545 245 V N 0.723 120.581 119.914 -0.094 0.000 2.343 245 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 245 V C 2.769 178.792 176.094 -0.118 0.000 1.051 245 V CA 2.240 64.475 62.300 -0.108 0.000 1.036 245 V CB -0.473 31.262 31.823 -0.146 0.000 0.654 245 V HN 0.533 nan 8.190 nan 0.000 0.451 246 Q N 0.306 120.019 119.800 -0.146 0.000 2.124 246 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 246 Q C 1.257 177.218 176.000 -0.065 0.000 0.977 246 Q CA 1.569 57.306 55.803 -0.112 0.000 0.850 246 Q CB -0.066 28.615 28.738 -0.095 0.000 0.901 246 Q HN 0.598 nan 8.270 nan 0.000 0.429 247 N N 0.766 119.432 118.700 -0.058 0.000 2.295 247 N HA 0.018 4.758 4.740 -0.000 0.000 0.221 247 N C 1.036 176.522 175.510 -0.040 0.000 1.129 247 N CA 0.008 53.032 53.050 -0.043 0.000 0.836 247 N CB 0.345 38.808 38.487 -0.041 0.000 1.040 247 N HN 0.273 nan 8.380 nan 0.000 0.494 248 I N 1.267 121.811 120.570 -0.043 0.000 2.226 248 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 248 I C 1.401 177.501 176.117 -0.028 0.000 1.100 248 I CA 1.612 62.890 61.300 -0.037 0.000 1.374 248 I CB 0.047 38.023 38.000 -0.038 0.000 1.057 248 I HN 0.011 nan 8.210 nan 0.000 0.413 249 D N -0.080 120.304 120.400 -0.027 0.000 2.097 249 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 249 D C 2.450 178.738 176.300 -0.021 0.000 0.989 249 D CA 1.844 55.831 54.000 -0.023 0.000 0.827 249 D CB -0.443 40.343 40.800 -0.022 0.000 0.966 249 D HN 0.515 nan 8.370 nan 0.000 0.456 250 S N 0.567 116.253 115.700 -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 0.530 58.718 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 1.317 121.874 120.570 -0.022 0.000 2.226 251 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 251 I C 2.454 178.563 176.117 -0.014 0.000 1.100 251 I CA 1.259 62.547 61.300 -0.019 0.000 1.374 251 I CB -0.367 37.618 38.000 -0.025 0.000 1.057 251 I HN 0.278 nan 8.210 nan 0.000 0.413 252 I N 0.237 120.798 120.570 -0.015 0.000 2.226 252 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 252 I C 2.639 178.751 176.117 -0.009 0.000 1.100 252 I CA 1.113 62.407 61.300 -0.011 0.000 1.374 252 I CB -0.316 37.676 38.000 -0.013 0.000 1.057 252 I HN 0.244 nan 8.210 nan 0.000 0.413 253 E N 0.746 120.940 120.200 -0.012 0.000 2.038 253 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 253 E C 2.081 178.677 176.600 -0.007 0.000 1.000 253 E CA 1.382 57.775 56.400 -0.011 0.000 0.803 253 E CB -0.141 29.550 29.700 -0.014 0.000 0.750 253 E HN 0.363 nan 8.360 nan 0.000 0.448 254 E N 0.850 121.045 120.200 -0.007 0.000 2.106 254 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 254 E C 1.334 177.935 176.600 0.002 0.000 0.984 254 E CA 0.427 56.825 56.400 -0.003 0.000 0.806 254 E CB -0.447 29.250 29.700 -0.005 0.000 0.750 254 E HN 0.200 nan 8.360 nan 0.000 0.458 255 S N 0.478 116.179 115.700 0.003 0.000 2.634 255 S HA 0.097 4.567 4.470 -0.000 0.000 0.261 255 S C 0.612 175.220 174.600 0.013 0.000 1.271 255 S CA -0.473 57.733 58.200 0.009 0.000 0.985 255 S CB 1.071 64.276 63.200 0.009 0.000 0.968 255 S HN -0.089 nan 8.310 nan 0.000 0.568 256 D N 0.221 120.634 120.400 0.021 0.000 2.369 256 D HA 0.329 4.969 4.640 -0.000 0.000 0.211 256 D C 0.759 177.075 176.300 0.026 0.000 1.077 256 D CA 0.680 54.694 54.000 0.025 0.000 0.842 256 D CB 0.592 41.411 40.800 0.032 0.000 0.947 256 D HN 0.784 nan 8.370 nan 0.000 0.509 257 G N 0.262 109.075 108.800 0.023 0.000 2.316 257 G HA2 0.346 4.306 3.960 -0.000 0.000 0.296 257 G HA3 0.346 4.306 3.960 -0.000 0.000 0.296 257 G C -1.949 172.951 174.900 0.001 0.000 1.399 257 G CA -0.685 44.423 45.100 0.014 0.000 0.833 257 G HN -0.071 nan 8.290 nan 0.000 0.565 258 I N 0.558 121.117 120.570 -0.019 0.000 2.647 258 I HA 0.558 4.728 4.170 -0.000 0.000 0.295 258 I C -0.268 175.802 176.117 -0.077 0.000 1.078 258 I CA -0.752 60.526 61.300 -0.037 0.000 1.048 258 I CB 2.006 39.990 38.000 -0.027 0.000 1.239 258 I HN 0.604 nan 8.210 nan 0.000 0.421 259 M N 5.218 124.757 119.600 -0.102 0.000 2.294 259 M HA 0.421 4.901 4.480 -0.000 0.000 0.335 259 M C -1.186 175.069 176.300 -0.075 0.000 1.079 259 M CA -0.790 54.429 55.300 -0.136 0.000 0.982 259 M CB 1.760 34.215 32.600 -0.242 0.000 1.651 259 M HN 0.244 nan 8.290 nan 0.000 0.437 260 V N 4.895 124.774 119.914 -0.059 0.000 2.313 260 V HA 0.251 4.371 4.120 -0.000 0.000 0.252 260 V C 0.530 176.609 176.094 -0.024 0.000 1.112 260 V CA -0.464 61.818 62.300 -0.030 0.000 0.984 260 V CB 0.009 31.820 31.823 -0.019 0.000 1.157 260 V HN 0.871 nan 8.190 nan 0.000 0.493 261 A N 5.443 128.256 122.820 -0.011 0.000 2.922 261 A HA 0.332 4.652 4.320 -0.000 0.000 0.298 261 A C 1.474 179.072 177.584 0.023 0.000 1.588 261 A CA -0.329 51.710 52.037 0.004 0.000 1.288 261 A CB -0.305 18.708 19.000 0.022 0.000 1.130 261 A HN 0.837 nan 8.150 nan 0.000 0.557 262 R N 1.556 122.066 120.500 0.016 0.000 2.092 262 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 262 R C 2.298 178.618 176.300 0.034 0.000 1.119 262 R CA 1.437 57.551 56.100 0.023 0.000 0.970 262 R CB -0.094 30.216 30.300 0.016 0.000 0.864 262 R HN 0.690 nan 8.270 nan 0.000 0.440 263 G N 1.351 110.172 108.800 0.036 0.000 2.433 263 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 263 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 263 G C 0.974 175.904 174.900 0.050 0.000 1.186 263 G CA 0.951 46.076 45.100 0.042 0.000 0.779 263 G HN 0.218 nan 8.290 nan 0.000 0.543 264 D N 0.242 120.675 120.400 0.056 0.000 2.117 264 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 264 D C 2.477 178.829 176.300 0.087 0.000 0.987 264 D CA 0.353 54.394 54.000 0.068 0.000 0.829 264 D CB -0.090 40.751 40.800 0.069 0.000 0.961 264 D HN 0.202 nan 8.370 nan 0.000 0.460 265 L N 0.951 122.221 121.223 0.079 0.000 2.083 265 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 265 L C 2.416 179.330 176.870 0.073 0.000 1.083 265 L CA 1.397 56.283 54.840 0.076 0.000 0.752 265 L CB -0.544 41.546 42.059 0.053 0.000 0.899 265 L HN 0.048 nan 8.230 nan 0.000 0.433 266 G N -0.867 107.971 108.800 0.063 0.000 2.422 266 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 266 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 266 G C 1.488 176.434 174.900 0.077 0.000 1.146 266 G CA 1.020 46.156 45.100 0.059 0.000 0.769 266 G HN 0.337 nan 8.290 nan 0.000 0.547 267 V N 0.616 120.587 119.914 0.096 0.000 2.323 267 V HA -0.083 4.037 4.120 -0.000 0.000 0.244 267 V C 2.638 178.837 176.094 0.175 0.000 1.041 267 V CA 1.710 64.100 62.300 0.149 0.000 1.025 267 V CB -0.502 31.416 31.823 0.160 0.000 0.656 267 V HN 0.255 nan 8.190 nan 0.000 0.451 268 E N -0.078 120.201 120.200 0.133 0.000 2.110 268 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 268 E C 0.442 177.113 176.600 0.118 0.000 0.988 268 E CA 0.951 57.422 56.400 0.118 0.000 0.804 268 E CB 0.095 29.879 29.700 0.140 0.000 0.745 268 E HN 0.471 nan 8.360 nan 0.000 0.458 269 I N 0.483 121.122 120.570 0.115 0.000 2.689 269 I HA 0.205 4.375 4.170 -0.000 0.000 0.299 269 I C -2.509 173.663 176.117 0.091 0.000 1.059 269 I CA -2.825 58.542 61.300 0.112 0.000 1.055 269 I CB 2.256 40.311 38.000 0.093 0.000 1.243 269 I HN -0.268 nan 8.210 nan 0.000 0.425 270 P HA 0.147 nan 4.420 nan 0.000 0.271 270 P C -0.098 177.230 177.300 0.047 0.000 1.216 270 P CA -0.174 62.963 63.100 0.062 0.000 0.776 270 P CB 0.887 32.618 31.700 0.052 0.000 0.881 271 A N 3.951 126.794 122.820 0.038 0.000 1.902 271 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 271 A C 1.838 179.436 177.584 0.023 0.000 1.181 271 A CA 1.467 53.522 52.037 0.029 0.000 0.623 271 A CB -1.067 17.946 19.000 0.021 0.000 0.818 271 A HN 0.667 nan 8.150 nan 0.000 0.443 272 E N 0.481 120.692 120.200 0.019 0.000 2.333 272 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 272 E C 1.515 178.124 176.600 0.016 0.000 1.007 272 E CA 1.519 57.928 56.400 0.015 0.000 0.845 272 E CB -0.266 29.441 29.700 0.012 0.000 0.766 272 E HN 0.608 nan 8.360 nan 0.000 0.507 273 K N 0.451 120.864 120.400 0.021 0.000 2.243 273 K HA 0.053 4.373 4.320 -0.000 0.000 0.201 273 K C 2.096 178.704 176.600 0.014 0.000 1.051 273 K CA 0.594 56.892 56.287 0.018 0.000 0.970 273 K CB 0.227 32.742 32.500 0.025 0.000 0.755 273 K HN -0.059 nan 8.250 nan 0.000 0.465 274 V N 0.796 120.721 119.914 0.019 0.000 2.453 274 V HA -0.259 3.861 4.120 -0.000 0.000 0.252 274 V C 2.050 178.150 176.094 0.011 0.000 1.068 274 V CA 1.511 63.821 62.300 0.016 0.000 1.070 274 V CB -0.441 31.395 31.823 0.021 0.000 0.664 274 V HN 0.091 nan 8.190 nan 0.000 0.461 275 V N -0.301 119.620 119.914 0.012 0.000 2.295 275 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 275 V C 2.403 178.501 176.094 0.008 0.000 1.049 275 V CA 1.971 64.278 62.300 0.012 0.000 1.024 275 V CB -0.497 31.334 31.823 0.013 0.000 0.648 275 V HN 0.435 nan 8.190 nan 0.000 0.447 276 V N 0.445 120.361 119.914 0.004 0.000 2.343 276 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 276 V C 2.723 178.813 176.094 -0.006 0.000 1.051 276 V CA 1.955 64.254 62.300 -0.002 0.000 1.036 276 V CB -1.233 30.587 31.823 -0.004 0.000 0.654 276 V HN 0.551 nan 8.190 nan 0.000 0.451 277 A N -0.794 122.022 122.820 -0.007 0.000 1.933 277 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 277 A C 2.264 179.844 177.584 -0.007 0.000 1.175 277 A CA 2.134 54.164 52.037 -0.012 0.000 0.628 277 A CB -0.528 18.464 19.000 -0.014 0.000 0.814 277 A HN 0.599 nan 8.150 nan 0.000 0.444 278 Q N -0.272 119.529 119.800 0.001 0.000 2.050 278 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 278 Q C 2.025 178.030 176.000 0.009 0.000 0.980 278 Q CA 1.924 57.730 55.803 0.005 0.000 0.840 278 Q CB -0.120 28.624 28.738 0.011 0.000 0.898 278 Q HN 0.683 nan 8.270 nan 0.000 0.424 279 K N -0.014 120.391 120.400 0.008 0.000 2.026 279 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 279 K C 2.059 178.659 176.600 0.001 0.000 1.048 279 K CA 1.468 57.760 56.287 0.007 0.000 0.929 279 K CB -0.122 32.379 32.500 0.002 0.000 0.713 279 K HN 0.245 nan 8.250 nan 0.000 0.439 280 I N 0.652 121.218 120.570 -0.006 0.000 2.202 280 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 280 I C 1.944 178.057 176.117 -0.007 0.000 1.091 280 I CA 0.933 62.227 61.300 -0.010 0.000 1.368 280 I CB -0.148 37.842 38.000 -0.017 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 -0.007 0.000 2.093 281 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 281 L C 2.314 179.185 176.870 0.002 0.000 1.085 281 L CA 1.761 56.597 54.840 -0.008 0.000 0.755 281 L CB -0.579 41.473 42.059 -0.013 0.000 0.904 281 L HN 0.174 nan 8.230 nan 0.000 0.435 282 I N -1.597 118.980 120.570 0.012 0.000 2.252 282 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 282 I C 2.413 178.555 176.117 0.042 0.000 1.102 282 I CA 1.095 62.413 61.300 0.029 0.000 1.385 282 I CB -0.288 37.738 38.000 0.043 0.000 1.064 282 I HN 0.177 nan 8.210 nan 0.000 0.414 283 S N 0.520 116.240 115.700 0.034 0.000 2.368 283 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 283 S C 1.963 176.576 174.600 0.023 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 0.216 120.621 120.400 0.008 0.000 2.097 284 K HA -0.050 4.270 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 1.226 57.514 56.287 0.000 0.000 0.933 284 K CB -0.312 32.183 32.500 -0.008 0.000 0.717 284 K HN 0.354 nan 8.250 nan 0.000 0.442 285 C N 0.880 120.182 119.300 0.004 0.000 2.446 285 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 285 C C 2.181 177.172 174.990 0.002 0.000 1.275 285 C CA 0.782 59.801 59.018 0.002 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 0.519 119.231 118.700 0.021 0.000 2.120 286 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 286 N C 1.573 177.076 175.510 -0.013 0.000 1.024 286 N CA 1.205 54.267 53.050 0.021 0.000 0.852 286 N CB -0.129 38.430 38.487 0.120 0.000 1.003 286 N HN 0.280 nan 8.380 nan 0.000 0.424 287 V N 1.270 121.184 119.914 0.000 0.000 2.358 287 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 287 V C 2.174 178.251 176.094 -0.029 0.000 1.047 287 V CA 1.784 64.074 62.300 -0.018 0.000 1.035 287 V CB -0.679 31.142 31.823 -0.004 0.000 0.658 287 V HN 0.361 nan 8.190 nan 0.000 0.452 288 A N -0.417 122.392 122.820 -0.019 0.000 2.168 288 A HA 0.280 4.600 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 1.007 53.035 52.037 -0.015 0.000 0.716 288 A CB -0.769 18.225 19.000 -0.009 0.000 0.794 288 A HN 1.285 nan 8.150 nan 0.000 0.465 289 G N -0.463 108.313 108.800 -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 -0.044 174.846 174.900 -0.016 0.000 1.047 289 G CA 0.784 45.860 45.100 -0.041 0.000 0.869 289 G HN 0.626 nan 8.290 nan 0.000 0.502 290 K N 0.329 120.722 120.400 -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 -0.001 0.000 0.808 290 K CB 2.748 35.249 32.500 0.002 0.000 1.189 290 K HN -0.034 nan 8.250 nan 0.000 0.428 291 P HA 0.012 nan 4.420 nan 0.000 0.268 291 P C -0.911 176.388 177.300 -0.002 0.000 1.204 291 P CA -0.257 62.847 63.100 0.007 0.000 0.768 291 P CB 0.865 32.579 31.700 0.023 0.000 0.842 292 V N 4.979 124.889 119.914 -0.007 0.000 2.709 292 V HA 0.512 4.632 4.120 -0.000 0.000 0.308 292 V C -0.718 175.360 176.094 -0.027 0.000 1.062 292 V CA -0.958 61.332 62.300 -0.017 0.000 0.901 292 V CB 1.578 33.398 31.823 -0.005 0.000 1.003 292 V HN 0.295 nan 8.190 nan 0.000 0.425 293 I N 6.192 126.728 120.570 -0.057 0.000 2.433 293 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 293 I C -0.321 175.759 176.117 -0.061 0.000 1.001 293 I CA -0.389 60.868 61.300 -0.071 0.000 1.119 293 I CB 1.714 39.625 38.000 -0.147 0.000 1.289 293 I HN 0.623 nan 8.210 nan 0.000 0.438 294 C N 6.320 125.597 119.300 -0.038 0.000 2.285 294 C HA 0.864 5.324 4.460 -0.000 0.000 0.335 294 C C 0.396 175.369 174.990 -0.028 0.000 1.267 294 C CA -0.123 58.880 59.018 -0.027 0.000 1.762 294 C CB -0.643 27.090 27.740 -0.011 0.000 2.365 294 C HN 0.859 nan 8.230 nan 0.000 0.527 295 A N 4.818 127.622 122.820 -0.027 0.000 2.401 295 A HA 0.920 5.240 4.320 -0.000 0.000 0.310 295 A C -0.170 177.413 177.584 -0.002 0.000 1.075 295 A CA -0.141 51.885 52.037 -0.019 0.000 0.746 295 A CB 1.032 20.010 19.000 -0.037 0.000 1.277 295 A HN 1.335 nan 8.150 nan 0.000 0.425 296 T N 1.336 115.895 114.554 0.007 0.000 0.554 296 T HA -0.086 4.264 4.350 -0.000 0.000 0.772 296 T C 0.104 174.811 174.700 0.012 0.000 0.992 296 T CA 0.487 62.596 62.100 0.015 0.000 4.069 296 T CB -1.131 67.751 68.868 0.022 0.000 2.299 296 T HN 1.486 nan 8.240 nan 0.000 0.397 297 Q N 0.096 119.902 119.800 0.011 0.000 2.452 297 Q HA -0.271 4.069 4.340 -0.000 0.000 0.248 297 Q C 1.555 177.555 176.000 -0.001 0.000 0.874 297 Q CA 1.515 57.323 55.803 0.007 0.000 1.208 297 Q CB -1.075 27.672 28.738 0.015 0.000 1.569 297 Q HN 0.817 nan 8.270 nan 0.000 0.579 298 M N -0.491 119.107 119.600 -0.004 0.000 2.117 298 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 298 M C 1.064 177.353 176.300 -0.019 0.000 1.065 298 M CA 1.519 56.814 55.300 -0.008 0.000 1.114 298 M CB 0.167 32.764 32.600 -0.006 0.000 1.361 298 M HN 0.235 nan 8.290 nan 0.000 0.408 299 L N -0.390 120.817 121.223 -0.028 0.000 2.913 299 L HA 0.158 4.498 4.340 -0.000 0.000 0.283 299 L C 1.031 177.862 176.870 -0.065 0.000 1.336 299 L CA -0.332 54.477 54.840 -0.051 0.000 0.815 299 L CB 0.462 42.488 42.059 -0.054 0.000 1.188 299 L HN 0.085 nan 8.230 nan 0.000 0.551 300 E N 0.943 121.116 120.200 -0.045 0.000 2.118 300 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 300 E C 2.089 178.637 176.600 -0.088 0.000 0.992 300 E CA 2.003 58.373 56.400 -0.051 0.000 0.804 300 E CB 0.277 29.982 29.700 0.007 0.000 0.741 300 E HN 0.538 nan 8.360 nan 0.000 0.458 301 S N -0.540 115.146 115.700 -0.022 0.000 2.474 301 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 301 S C 1.823 176.397 174.600 -0.043 0.000 0.997 301 S CA 0.817 59.052 58.200 0.058 0.000 0.949 301 S CB -0.180 63.063 63.200 0.071 0.000 0.766 301 S HN 0.285 nan 8.310 nan 0.000 0.517 302 M N 1.474 120.998 119.600 -0.128 0.000 2.618 302 M HA 0.051 4.531 4.480 -0.000 0.000 0.240 302 M C 1.385 177.609 176.300 -0.126 0.000 1.123 302 M CA 0.519 55.752 55.300 -0.112 0.000 1.060 302 M CB -0.479 32.047 32.600 -0.124 0.000 1.535 302 M HN 0.381 nan 8.290 nan 0.000 0.507 303 T N -0.272 114.037 114.554 -0.408 0.000 2.833 303 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 303 T C 0.840 175.212 174.700 -0.546 0.000 1.054 303 T CA 1.410 63.138 62.100 -0.620 0.000 1.135 303 T CB -0.162 68.070 68.868 -1.061 0.000 0.869 303 T HN 0.520 nan 8.240 nan 0.000 0.466 304 Y N 0.038 120.411 120.300 0.123 0.000 2.432 304 Y HA 0.448 4.998 4.550 0.000 0.000 0.252 304 Y C 0.620 176.683 175.900 0.272 0.000 1.097 304 Y CA -1.220 56.970 58.100 0.151 0.000 1.250 304 Y CB -0.114 38.389 38.460 0.072 0.000 1.245 304 Y HN 0.082 nan 8.280 nan 0.000 0.522 305 N N 2.617 121.485 118.700 0.280 0.000 2.292 305 N HA 0.217 4.957 4.740 -0.000 0.000 0.303 305 N C -2.261 173.039 175.510 -0.350 0.000 1.140 305 N CA -2.042 51.055 53.050 0.079 0.000 0.788 305 N CB 2.099 40.605 38.487 0.031 0.000 1.361 305 N HN -0.247 nan 8.380 nan 0.000 0.489 306 P HA -0.069 nan 4.420 nan 0.000 0.221 306 P C -0.247 176.821 177.300 -0.388 0.000 1.150 306 P CA 1.256 63.859 63.100 -0.828 0.000 0.800 306 P CB 0.560 31.938 31.700 -0.537 0.000 0.787 307 R N -0.220 120.108 120.500 -0.287 0.000 2.744 307 R HA 0.485 4.825 4.340 -0.000 0.000 0.279 307 R C -2.540 173.573 176.300 -0.312 0.000 0.977 307 R CA -2.207 53.710 56.100 -0.305 0.000 0.906 307 R CB 2.058 32.268 30.300 -0.149 0.000 1.197 307 R HN -0.020 nan 8.270 nan 0.000 0.463 308 P HA 0.077 nan 4.420 nan 0.000 0.278 308 P C -0.495 176.705 177.300 -0.167 0.000 1.258 308 P CA -0.453 62.467 63.100 -0.300 0.000 0.811 308 P CB 0.916 32.378 31.700 -0.398 0.000 1.063 309 T N -0.844 113.649 114.554 -0.101 0.000 2.813 309 T HA 0.159 4.509 4.350 -0.000 0.000 0.297 309 T C 1.538 176.211 174.700 -0.046 0.000 1.036 309 T CA -0.516 61.550 62.100 -0.056 0.000 1.044 309 T CB 0.471 69.321 68.868 -0.029 0.000 0.993 309 T HN 0.224 nan 8.240 nan 0.000 0.535 310 R N 1.403 121.888 120.500 -0.024 0.000 2.081 310 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 310 R C 2.740 179.036 176.300 -0.006 0.000 1.131 310 R CA 1.495 57.589 56.100 -0.010 0.000 0.960 310 R CB -1.538 28.761 30.300 -0.003 0.000 0.856 310 R HN 0.863 nan 8.270 nan 0.000 0.436 311 A N 1.450 124.266 122.820 -0.007 0.000 1.933 311 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 311 A C 2.048 179.628 177.584 -0.006 0.000 1.175 311 A CA 1.469 53.506 52.037 -0.001 0.000 0.628 311 A CB -0.317 18.682 19.000 -0.001 0.000 0.814 311 A HN 0.367 nan 8.150 nan 0.000 0.444 312 E N -0.556 119.634 120.200 -0.018 0.000 2.047 312 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 312 E C 1.987 178.573 176.600 -0.023 0.000 0.987 312 E CA 1.245 57.629 56.400 -0.026 0.000 0.799 312 E CB -0.237 29.434 29.700 -0.049 0.000 0.752 312 E HN 0.367 nan 8.360 nan 0.000 0.449 313 V N 0.913 120.814 119.914 -0.021 0.000 2.295 313 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 313 V C 2.458 178.553 176.094 0.002 0.000 1.049 313 V CA 1.972 64.271 62.300 -0.000 0.000 1.024 313 V CB -0.533 31.301 31.823 0.019 0.000 0.648 313 V HN 0.322 nan 8.190 nan 0.000 0.447 314 S N -0.077 115.628 115.700 0.010 0.000 2.383 314 S HA -0.289 4.181 4.470 -0.000 0.000 0.229 314 S C 1.868 176.474 174.600 0.011 0.000 1.030 314 S CA 2.187 60.401 58.200 0.023 0.000 1.002 314 S CB -0.493 62.726 63.200 0.033 0.000 0.829 314 S HN 0.698 nan 8.310 nan 0.000 0.467 315 D N 0.380 120.782 120.400 0.003 0.000 2.097 315 D HA -0.084 4.556 4.640 -0.000 0.000 0.195 315 D C 1.902 178.189 176.300 -0.022 0.000 0.989 315 D CA 1.520 55.519 54.000 -0.002 0.000 0.827 315 D CB -0.331 40.468 40.800 -0.002 0.000 0.966 315 D HN 0.330 nan 8.370 nan 0.000 0.456 316 V N 0.742 120.637 119.914 -0.031 0.000 2.343 316 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 316 V C 2.576 178.603 176.094 -0.112 0.000 1.051 316 V CA 1.729 64.000 62.300 -0.049 0.000 1.036 316 V CB -0.995 30.811 31.823 -0.028 0.000 0.654 316 V HN 0.323 nan 8.190 nan 0.000 0.451 317 A N 0.547 123.277 122.820 -0.149 0.000 1.877 317 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 317 A C 2.101 179.372 177.584 -0.522 0.000 1.186 317 A CA 1.971 53.797 52.037 -0.351 0.000 0.620 317 A CB -0.676 18.169 19.000 -0.257 0.000 0.822 317 A HN 0.590 nan 8.150 nan 0.000 0.443 318 N N 0.418 119.026 118.700 -0.154 0.000 2.223 318 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 318 N C 1.880 177.407 175.510 0.028 0.000 1.016 318 N CA 1.359 54.444 53.050 0.058 0.000 0.863 318 N CB -0.444 38.122 38.487 0.132 0.000 0.983 318 N HN 0.494 nan 8.380 nan 0.000 0.429 319 A N 0.925 123.727 122.820 -0.030 0.000 1.933 319 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 319 A C 2.526 180.109 177.584 -0.002 0.000 1.175 319 A CA 1.189 53.223 52.037 -0.006 0.000 0.628 319 A CB -0.670 18.320 19.000 -0.016 0.000 0.814 319 A HN 0.102 nan 8.150 nan 0.000 0.444 320 V N -0.978 118.886 119.914 -0.084 0.000 2.343 320 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 320 V C 2.310 178.452 176.094 0.080 0.000 1.051 320 V CA 1.901 64.163 62.300 -0.063 0.000 1.036 320 V CB -1.064 30.647 31.823 -0.187 0.000 0.654 320 V HN 0.528 nan 8.190 nan 0.000 0.451 321 F N 0.909 120.909 119.950 0.084 0.000 2.171 321 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 321 F C 2.232 178.076 175.800 0.074 0.000 1.090 321 F CA 1.063 59.112 58.000 0.082 0.000 1.293 321 F CB -1.394 37.632 39.000 0.044 0.000 1.013 321 F HN 0.253 nan 8.300 nan 0.000 0.486 322 N N -0.720 118.119 118.700 0.233 0.000 2.289 322 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 322 N C 1.450 177.069 175.510 0.182 0.000 1.016 322 N CA 0.810 53.946 53.050 0.143 0.000 0.872 322 N CB -0.164 38.380 38.487 0.095 0.000 0.973 322 N HN 0.396 nan 8.380 nan 0.000 0.433 323 G N -0.149 108.809 108.800 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 0.157 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 0.094 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 0.019 0.000 1.078 324 A CA 1.044 53.106 52.037 0.041 0.000 0.770 324 A CB 0.219 19.233 19.000 0.024 0.000 1.011 324 A HN 0.293 nan 8.150 nan 0.000 0.494 325 D N 0.346 120.750 120.400 0.007 0.000 2.117 325 D HA -0.021 4.619 4.640 -0.000 0.000 0.197 325 D C 0.130 176.435 176.300 0.009 0.000 0.987 325 D CA 1.621 55.623 54.000 0.003 0.000 0.829 325 D CB -0.006 40.796 40.800 0.004 0.000 0.961 325 D HN 0.552 nan 8.370 nan 0.000 0.460 326 C N -0.041 119.262 119.300 0.006 0.000 2.712 326 C HA 0.688 5.148 4.460 -0.000 0.000 0.308 326 C C -0.194 174.796 174.990 -0.001 0.000 1.201 326 C CA -1.222 57.801 59.018 0.008 0.000 1.554 326 C CB 1.480 29.229 27.740 0.015 0.000 2.117 326 C HN 0.128 nan 8.230 nan 0.000 0.480 327 V N 0.688 120.605 119.914 0.005 0.000 2.919 327 V HA 0.834 4.954 4.120 -0.000 0.000 0.316 327 V C -0.574 175.528 176.094 0.014 0.000 1.077 327 V CA -0.691 61.610 62.300 0.001 0.000 0.977 327 V CB 1.774 33.596 31.823 -0.002 0.000 1.039 327 V HN 1.006 nan 8.190 nan 0.000 0.441 328 M N 2.859 122.465 119.600 0.011 0.000 2.518 328 M HA 0.743 5.223 4.480 -0.000 0.000 0.300 328 M C -2.121 174.197 176.300 0.030 0.000 1.175 328 M CA -0.627 54.689 55.300 0.026 0.000 0.890 328 M CB 2.246 34.854 32.600 0.013 0.000 1.710 328 M HN 0.743 nan 8.290 nan 0.000 0.453 329 L N 2.444 123.694 121.223 0.045 0.000 2.362 329 L HA 0.550 4.890 4.340 -0.000 0.000 0.275 329 L C -0.197 176.702 176.870 0.049 0.000 0.998 329 L CA -0.284 54.579 54.840 0.038 0.000 0.820 329 L CB 2.185 44.266 42.059 0.036 0.000 1.270 329 L HN 0.851 nan 8.230 nan 0.000 0.415 330 S N 1.065 116.786 115.700 0.034 0.000 3.026 330 S HA 0.152 4.622 4.470 -0.000 0.000 0.169 330 S C 1.571 176.185 174.600 0.023 0.000 0.680 330 S CA 0.471 58.697 58.200 0.044 0.000 0.826 330 S CB -0.095 63.133 63.200 0.046 0.000 0.779 330 S HN 0.866 nan 8.310 nan 0.000 0.664 331 G N 1.242 110.041 108.800 -0.001 0.000 2.422 331 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 331 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 331 G C 1.038 175.905 174.900 -0.054 0.000 1.140 331 G CA 0.881 45.963 45.100 -0.029 0.000 0.775 331 G HN 0.499 nan 8.290 nan 0.000 0.545 332 E N 0.246 120.411 120.200 -0.059 0.000 2.160 332 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 332 E C 2.715 179.298 176.600 -0.029 0.000 0.991 332 E CA 1.752 58.108 56.400 -0.072 0.000 0.810 332 E CB -0.230 29.438 29.700 -0.054 0.000 0.742 332 E HN 0.605 nan 8.360 nan 0.000 0.466 333 T N -2.845 111.708 114.554 -0.002 0.000 3.023 333 T HA 0.357 4.707 4.350 -0.000 0.000 0.249 333 T C 1.974 176.686 174.700 0.020 0.000 1.050 333 T CA 0.266 62.377 62.100 0.018 0.000 1.088 333 T CB 0.118 69.009 68.868 0.038 0.000 0.946 333 T HN 0.130 nan 8.240 nan 0.000 0.480 334 A N 3.317 126.147 122.820 0.016 0.000 1.873 334 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 334 A C 2.188 179.770 177.584 -0.004 0.000 1.186 334 A CA 1.549 53.597 52.037 0.018 0.000 0.616 334 A CB -0.341 18.663 19.000 0.007 0.000 0.823 334 A HN 0.724 nan 8.150 nan 0.000 0.442 335 K N -1.272 119.112 120.400 -0.026 0.000 2.477 335 K HA 0.307 4.627 4.320 -0.000 0.000 0.208 335 K C 0.683 177.259 176.600 -0.039 0.000 1.117 335 K CA 0.244 56.513 56.287 -0.031 0.000 1.039 335 K CB 0.154 32.632 32.500 -0.036 0.000 0.937 335 K HN 0.248 nan 8.250 nan 0.000 0.570 336 G N 1.504 110.269 108.800 -0.057 0.000 2.606 336 G HA2 0.072 4.032 3.960 -0.000 0.000 0.252 336 G HA3 0.072 4.032 3.960 -0.000 0.000 0.252 336 G C 0.169 175.009 174.900 -0.099 0.000 1.206 336 G CA -0.539 44.509 45.100 -0.086 0.000 0.861 336 G HN 0.063 nan 8.290 nan 0.000 0.561 337 K N -0.410 119.894 120.400 -0.160 0.000 2.097 337 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 337 K C -0.148 176.129 176.600 -0.540 0.000 1.050 337 K CA 1.223 57.268 56.287 -0.403 0.000 0.938 337 K CB -0.021 32.115 32.500 -0.607 0.000 0.718 337 K HN 0.577 nan 8.250 nan 0.000 0.442 338 Y N -0.480 119.811 120.300 -0.016 0.000 2.562 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.363 338 Y C -2.113 173.789 175.900 0.003 0.000 0.991 338 Y CA -2.166 55.934 58.100 0.001 0.000 1.121 338 Y CB 1.041 39.505 38.460 0.007 0.000 1.159 338 Y HN 0.035 nan 8.280 nan 0.000 0.651 339 P HA -0.133 nan 4.420 nan 0.000 0.215 339 P C 1.122 178.471 177.300 0.083 0.000 1.157 339 P CA 1.554 64.695 63.100 0.068 0.000 0.863 339 P CB 0.508 32.230 31.700 0.037 0.000 0.787 340 N N -0.141 118.611 118.700 0.086 0.000 2.120 340 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 340 N C 1.620 177.189 175.510 0.098 0.000 1.024 340 N CA 1.294 54.393 53.050 0.081 0.000 0.852 340 N CB -0.673 37.857 38.487 0.071 0.000 1.003 340 N HN 0.228 nan 8.380 nan 0.000 0.424 341 E N 0.697 120.978 120.200 0.134 0.000 2.110 341 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 341 E C 1.995 178.697 176.600 0.170 0.000 0.988 341 E CA 0.309 56.796 56.400 0.146 0.000 0.804 341 E CB -0.423 29.366 29.700 0.148 0.000 0.745 341 E HN 0.055 nan 8.360 nan 0.000 0.458 342 V N 0.007 120.002 119.914 0.135 0.000 2.343 342 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 342 V C 2.002 178.163 176.094 0.113 0.000 1.051 342 V CA 1.418 63.781 62.300 0.104 0.000 1.036 342 V CB -0.096 31.758 31.823 0.052 0.000 0.654 342 V HN 0.150 nan 8.190 nan 0.000 0.451 343 V N -0.323 119.646 119.914 0.091 0.000 2.343 343 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 343 V C 2.448 178.587 176.094 0.075 0.000 1.051 343 V CA 2.467 64.812 62.300 0.075 0.000 1.036 343 V CB -0.709 31.151 31.823 0.062 0.000 0.654 343 V HN 0.604 nan 8.190 nan 0.000 0.451 344 Q N -1.544 118.301 119.800 0.075 0.000 2.124 344 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 344 Q C 2.181 178.192 176.000 0.018 0.000 0.977 344 Q CA 2.031 57.854 55.803 0.034 0.000 0.850 344 Q CB -0.230 28.515 28.738 0.013 0.000 0.901 344 Q HN 0.707 nan 8.270 nan 0.000 0.429 345 Y N 0.125 120.423 120.300 -0.002 0.000 2.181 345 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 345 Y C 2.267 178.159 175.900 -0.013 0.000 1.146 345 Y CA 1.539 59.632 58.100 -0.012 0.000 1.164 345 Y CB -0.044 38.404 38.460 -0.020 0.000 0.982 345 Y HN 0.126 nan 8.280 nan 0.000 0.515 346 M N -1.018 118.680 119.600 0.163 0.000 2.117 346 M HA -0.199 4.281 4.480 -0.000 0.000 0.262 346 M C 2.287 178.613 176.300 0.043 0.000 1.065 346 M CA 1.853 57.205 55.300 0.086 0.000 1.114 346 M CB -0.148 32.488 32.600 0.059 0.000 1.361 346 M HN 0.276 nan 8.290 nan 0.000 0.408 347 A N 0.292 123.132 122.820 0.033 0.000 1.902 347 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 347 A C 2.138 179.716 177.584 -0.010 0.000 1.181 347 A CA 1.928 53.972 52.037 0.011 0.000 0.623 347 A CB -0.774 18.234 19.000 0.014 0.000 0.818 347 A HN 0.613 nan 8.150 nan 0.000 0.443 348 R N -0.218 120.267 120.500 -0.025 0.000 2.081 348 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 348 R C 1.895 178.177 176.300 -0.030 0.000 1.131 348 R CA 1.761 57.831 56.100 -0.050 0.000 0.960 348 R CB -0.407 29.817 30.300 -0.126 0.000 0.856 348 R HN 0.531 nan 8.270 nan 0.000 0.436 349 I N 0.193 120.762 120.570 -0.002 0.000 2.286 349 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 349 I C 2.458 178.546 176.117 -0.048 0.000 1.115 349 I CA 0.920 62.218 61.300 -0.004 0.000 1.392 349 I CB -0.272 37.744 38.000 0.026 0.000 1.065 349 I HN 0.323 nan 8.210 nan 0.000 0.418 350 C N 0.099 119.371 119.300 -0.045 0.000 2.429 350 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 350 C C 2.682 177.630 174.990 -0.070 0.000 1.262 350 C CA 0.373 59.350 59.018 -0.068 0.000 1.733 350 C CB -0.826 26.887 27.740 -0.043 0.000 2.010 350 C HN 0.455 nan 8.230 nan 0.000 0.483 351 L N 1.282 122.473 121.223 -0.054 0.000 2.056 351 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 351 L C 2.474 179.320 176.870 -0.040 0.000 1.078 351 L CA 1.987 56.791 54.840 -0.060 0.000 0.749 351 L CB -1.087 40.944 42.059 -0.046 0.000 0.901 351 L HN 0.306 nan 8.230 nan 0.000 0.433 352 E N -0.347 119.838 120.200 -0.024 0.000 2.077 352 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 352 E C 2.141 178.757 176.600 0.027 0.000 0.989 352 E CA 1.500 57.903 56.400 0.004 0.000 0.800 352 E CB -0.283 29.420 29.700 0.005 0.000 0.746 352 E HN 0.436 nan 8.360 nan 0.000 0.452 353 A N 0.463 123.262 122.820 -0.035 0.000 1.972 353 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 353 A C 2.212 179.854 177.584 0.097 0.000 1.169 353 A CA 1.685 53.678 52.037 -0.074 0.000 0.635 353 A CB -0.644 18.061 19.000 -0.491 0.000 0.810 353 A HN 0.421 nan 8.150 nan 0.000 0.446 354 Q N -0.135 119.679 119.800 0.024 0.000 2.124 354 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 354 Q C 2.175 178.228 176.000 0.087 0.000 0.977 354 Q CA 1.702 57.528 55.803 0.038 0.000 0.850 354 Q CB -0.107 28.588 28.738 -0.071 0.000 0.901 354 Q HN 0.657 nan 8.270 nan 0.000 0.429 355 S N 0.366 116.115 115.700 0.082 0.000 2.368 355 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 355 S C 1.920 176.620 174.600 0.168 0.000 1.030 355 S CA 1.049 59.311 58.200 0.103 0.000 0.999 355 S CB -0.252 62.997 63.200 0.081 0.000 0.844 355 S HN 0.552 nan 8.310 nan 0.000 0.459 356 A N 0.578 123.534 122.820 0.228 0.000 2.121 356 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 356 A C 0.877 178.663 177.584 0.337 0.000 1.154 356 A CA 0.331 52.534 52.037 0.277 0.000 0.679 356 A CB -0.394 18.803 19.000 0.328 0.000 0.795 356 A HN 0.383 nan 8.150 nan 0.000 0.458 357 L N 0.799 122.230 121.223 0.347 0.000 2.455 357 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 357 L C 0.074 177.089 176.870 0.242 0.000 1.174 357 L CA -0.015 55.018 54.840 0.321 0.000 0.869 357 L CB 0.198 42.453 42.059 0.326 0.000 1.130 357 L HN 0.224 nan 8.230 nan 0.000 0.474 358 N N 3.094 121.871 118.700 0.129 0.000 2.602 358 N HA 0.073 4.813 4.740 -0.000 0.000 0.238 358 N C 0.604 176.242 175.510 0.214 0.000 1.084 358 N CA 0.002 53.086 53.050 0.056 0.000 0.952 358 N CB 0.599 38.913 38.487 -0.287 0.000 1.244 358 N HN 0.657 nan 8.380 nan 0.000 0.512 359 E N 1.208 121.585 120.200 0.295 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 1.100 57.718 56.400 0.363 0.000 0.811 359 E CB -0.063 29.859 29.700 0.369 0.000 0.746 359 E HN 0.605 nan 8.360 nan 0.000 0.466 360 Y N 0.352 120.725 120.300 0.122 0.000 2.163 360 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 360 Y C 2.061 177.959 175.900 -0.004 0.000 1.136 360 Y CA 1.110 59.118 58.100 -0.154 0.000 1.147 360 Y CB -0.284 38.032 38.460 -0.241 0.000 0.987 360 Y HN -0.140 nan 8.280 nan 0.000 0.509 361 V N -0.234 119.684 119.914 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 2.098 64.342 62.300 -0.094 0.000 1.036 361 V CB -0.900 30.870 31.823 -0.089 0.000 0.654 361 V HN 0.486 nan 8.190 nan 0.000 0.451 362 F N -0.503 119.420 119.950 -0.046 0.000 2.126 362 F HA -0.271 4.256 4.527 0.000 0.000 0.299 362 F C 2.217 178.038 175.800 0.035 0.000 1.096 362 F CA 1.917 59.918 58.000 0.002 0.000 1.255 362 F CB -0.178 38.861 39.000 0.064 0.000 0.997 362 F HN 0.273 nan 8.300 nan 0.000 0.479 363 F N 1.540 121.563 119.950 0.121 0.000 2.102 363 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 363 F C 2.164 177.959 175.800 -0.007 0.000 1.105 363 F CA 1.782 59.816 58.000 0.057 0.000 1.239 363 F CB -1.073 37.916 39.000 -0.018 0.000 0.991 363 F HN -0.118 nan 8.300 nan 0.000 0.474 364 N N 0.332 118.733 118.700 -0.499 0.000 2.166 364 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 364 N C 2.023 177.365 175.510 -0.280 0.000 1.019 364 N CA 1.578 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 1.206 116.810 115.700 -0.160 0.000 2.368 365 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 365 S C 2.140 176.707 174.600 -0.054 0.000 1.030 365 S CA 0.599 58.738 58.200 -0.101 0.000 0.999 365 S CB -0.153 62.985 63.200 -0.104 0.000 0.844 365 S HN 0.228 nan 8.310 nan 0.000 0.459 366 I N 1.525 122.098 120.570 0.005 0.000 2.226 366 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 366 I C 2.476 178.594 176.117 0.001 0.000 1.100 366 I CA 1.197 62.502 61.300 0.008 0.000 1.374 366 I CB -0.165 37.835 38.000 0.000 0.000 1.057 366 I HN 0.208 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 2.018 178.603 176.600 -0.025 0.000 1.049 367 K CA 1.319 57.629 56.287 0.038 0.000 0.931 367 K CB 0.069 32.434 32.500 -0.225 0.000 0.714 367 K HN 0.149 nan 8.250 nan 0.000 0.440 368 K N 0.483 120.838 120.400 -0.075 0.000 2.209 368 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 368 K C 1.933 178.515 176.600 -0.029 0.000 1.048 368 K CA 0.982 57.232 56.287 -0.062 0.000 0.940 368 K CB -0.086 32.368 32.500 -0.076 0.000 0.729 368 K HN 0.280 nan 8.250 nan 0.000 0.451 369 L N 1.308 122.522 121.223 -0.015 0.000 2.554 369 L HA -0.031 4.309 4.340 -0.000 0.000 0.226 369 L C 0.588 177.475 176.870 0.028 0.000 1.137 369 L CA 0.176 55.017 54.840 0.001 0.000 0.863 369 L CB -0.035 42.021 42.059 -0.006 0.000 0.985 369 L HN 0.066 nan 8.230 nan 0.000 0.451 370 Q N -0.133 119.694 119.800 0.045 0.000 2.293 370 Q HA 0.099 4.439 4.340 -0.000 0.000 0.251 370 Q C -0.409 175.640 176.000 0.081 0.000 0.930 370 Q CA -0.209 55.643 55.803 0.081 0.000 0.893 370 Q CB 0.787 29.596 28.738 0.117 0.000 1.215 370 Q HN 0.167 nan 8.270 nan 0.000 0.425 371 H N 1.451 120.528 119.070 0.011 0.000 2.848 371 H HA 0.208 4.764 4.556 -0.000 0.000 0.341 371 H C -0.931 174.399 175.328 0.003 0.000 1.060 371 H CA 0.022 56.072 56.048 0.003 0.000 1.444 371 H CB 0.350 30.113 29.762 0.000 0.000 1.446 371 H HN 0.308 nan 8.280 nan 0.000 0.583 372 I N 7.785 127.974 120.570 -0.635 0.000 2.436 372 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 372 I C -1.828 173.945 176.117 -0.573 0.000 1.010 372 I CA -2.744 58.284 61.300 -0.453 0.000 1.098 372 I CB 1.182 39.053 38.000 -0.216 0.000 1.266 372 I HN 0.752 nan 8.210 nan 0.000 0.434 373 P HA 0.488 nan 4.420 nan 0.000 0.297 373 P C -0.290 176.963 177.300 -0.078 0.000 1.303 373 P CA -0.278 62.722 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 -1.370 118.240 119.600 0.016 0.000 2.599 374 M HA 0.229 4.709 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 -0.038 32.613 32.600 0.085 0.000 1.354 374 M HN 0.441 nan 8.290 nan 0.000 0.619 375 S N -0.205 115.499 115.700 0.006 0.000 2.535 375 S HA 0.724 5.194 4.470 -0.000 0.000 0.272 375 S C 0.131 174.699 174.600 -0.053 0.000 1.149 375 S CA -0.288 57.886 58.200 -0.044 0.000 0.888 375 S CB 1.759 64.923 63.200 -0.060 0.000 1.110 375 S HN 0.493 nan 8.310 nan 0.000 0.463 376 A N 2.372 125.138 122.820 -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 2.330 54.346 52.037 -0.035 0.000 0.631 376 A CB -1.255 17.738 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 -0.011 0.000 2.144 377 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 377 D C 1.710 178.037 176.300 0.045 0.000 0.984 377 D CA 1.501 55.550 54.000 0.083 0.000 0.834 377 D CB -0.770 40.109 40.800 0.131 0.000 0.955 377 D HN 0.691 nan 8.370 nan 0.000 0.465 378 E N 0.915 121.131 120.200 0.026 0.000 2.077 378 E HA -0.102 4.248 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 1.261 57.690 56.400 0.049 0.000 0.800 378 E CB -0.173 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 0.237 123.040 122.820 -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 -0.067 0.000 1.175 379 A CA 1.348 53.350 52.037 -0.058 0.000 0.628 379 A CB -0.624 18.356 19.000 -0.034 0.000 0.814 379 A HN 0.236 nan 8.150 nan 0.000 0.444 380 V N -0.815 119.078 119.914 -0.034 0.000 2.295 380 V HA -0.319 3.801 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 2.155 64.434 62.300 -0.034 0.000 1.024 380 V CB -0.879 30.944 31.823 0.000 0.000 0.648 380 V HN 0.732 nan 8.190 nan 0.000 0.447 381 C N -0.457 118.809 119.300 -0.057 0.000 2.446 381 C HA -0.124 4.336 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 1.427 60.406 59.018 -0.066 0.000 1.727 381 C CB -0.979 26.778 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 2.084 176.624 174.600 -0.100 0.000 1.031 382 S CA 2.436 60.295 58.200 -0.568 0.000 0.993 382 S CB -0.664 62.066 63.200 -0.783 0.000 0.859 382 S HN 0.723 nan 8.310 nan 0.000 0.453 383 S N 1.675 117.328 115.700 -0.078 0.000 2.399 383 S HA 0.083 4.553 4.470 -0.000 0.000 0.231 383 S C 2.114 176.704 174.600 -0.018 0.000 1.022 383 S CA 1.202 59.400 58.200 -0.002 0.000 0.983 383 S CB -0.987 62.200 63.200 -0.021 0.000 0.803 383 S HN 0.828 nan 8.310 nan 0.000 0.480 384 A N 1.248 124.031 122.820 -0.061 0.000 1.933 384 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 384 A C 2.407 179.934 177.584 -0.094 0.000 1.175 384 A CA 1.627 53.620 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 0.500 nan 8.150 nan 0.000 0.444 385 V N 1.228 121.063 119.914 -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 64.218 62.300 -0.248 0.000 1.049 385 V CB -0.990 30.610 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 1.944 177.534 175.510 0.133 0.000 1.019 386 N CA 1.711 54.876 53.050 0.190 0.000 0.856 386 N CB 0.037 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 0.052 115.769 115.700 0.029 0.000 2.382 387 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 387 S C 2.062 176.637 174.600 -0.042 0.000 1.027 387 S CA 0.765 58.955 58.200 -0.017 0.000 0.991 387 S CB -0.107 63.057 63.200 -0.061 0.000 0.823 387 S HN 0.197 nan 8.310 nan 0.000 0.469 388 V N 0.382 120.242 119.914 -0.091 0.000 2.295 388 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 388 V C 1.883 177.890 176.094 -0.145 0.000 1.049 388 V CA 1.670 63.874 62.300 -0.160 0.000 1.024 388 V CB -0.833 30.815 31.823 -0.291 0.000 0.648 388 V HN 0.490 nan 8.190 nan 0.000 0.447 389 Y N 0.596 120.886 120.300 -0.017 0.000 2.181 389 Y HA -0.182 4.368 4.550 0.000 0.000 0.288 389 Y C 2.577 178.492 175.900 0.026 0.000 1.146 389 Y CA 1.689 59.811 58.100 0.035 0.000 1.164 389 Y CB -0.364 38.191 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 -0.166 4.184 4.350 -0.000 0.000 0.193 390 E C 1.983 178.614 176.600 0.050 0.000 0.988 390 E CA 1.830 58.287 56.400 0.095 0.000 0.804 390 E CB -0.116 29.627 29.700 0.072 0.000 0.745 390 E HN 0.538 nan 8.360 nan 0.000 0.458 391 T N -2.282 112.285 114.554 0.023 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 -0.098 62.030 62.100 0.046 0.000 1.038 391 T CB 0.041 68.847 68.868 -0.104 0.000 0.962 391 T HN -0.003 nan 8.240 nan 0.000 0.516 392 K N 0.952 121.400 120.400 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 56.360 56.287 0.059 0.000 0.758 392 K CB -2.039 30.502 32.500 0.068 0.000 1.260 392 K HN 0.727 nan 8.250 nan 0.000 0.481 393 A N 1.171 124.022 122.820 0.052 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 19.344 19.000 0.034 0.000 1.011 393 A HN 0.334 nan 8.150 nan 0.000 0.494 394 K N 0.796 121.198 120.400 0.003 0.000 2.374 394 K HA 0.381 4.701 4.320 -0.000 0.000 0.196 394 K C 0.296 176.859 176.600 -0.062 0.000 1.023 394 K CA 0.936 57.208 56.287 -0.026 0.000 1.103 394 K CB 0.275 32.779 32.500 0.007 0.000 0.848 394 K HN 0.789 nan 8.250 nan 0.000 0.528 395 A N 0.880 123.671 122.820 -0.049 0.000 2.599 395 A HA 0.740 5.060 4.320 -0.000 0.000 0.290 395 A C -1.730 175.825 177.584 -0.049 0.000 1.101 395 A CA -0.707 51.292 52.037 -0.062 0.000 0.674 395 A CB 1.526 20.542 19.000 0.028 0.000 1.277 395 A HN 0.102 nan 8.150 nan 0.000 0.419 396 M N 0.754 120.324 119.600 -0.051 0.000 2.446 396 M HA 0.605 5.085 4.480 -0.000 0.000 0.294 396 M C -1.854 174.443 176.300 -0.005 0.000 1.158 396 M CA -0.592 54.684 55.300 -0.040 0.000 0.899 396 M CB 2.459 35.015 32.600 -0.074 0.000 1.687 396 M HN 0.515 nan 8.290 nan 0.000 0.455 397 V N 3.897 123.816 119.914 0.008 0.000 2.588 397 V HA 0.728 4.848 4.120 -0.000 0.000 0.304 397 V C -0.947 175.160 176.094 0.023 0.000 1.042 397 V CA -0.726 61.589 62.300 0.024 0.000 0.877 397 V CB 1.966 33.816 31.823 0.044 0.000 0.996 397 V HN 0.674 nan 8.190 nan 0.000 0.425 398 V N 4.017 123.942 119.914 0.019 0.000 2.823 398 V HA 0.616 4.736 4.120 -0.000 0.000 0.312 398 V C -0.874 175.234 176.094 0.024 0.000 1.072 398 V CA -0.987 61.330 62.300 0.028 0.000 0.937 398 V CB 1.978 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 2.890 124.138 121.223 0.041 0.000 2.257 399 L HA 0.698 5.038 4.340 -0.000 0.000 0.290 399 L C 0.315 177.198 176.870 0.021 0.000 1.044 399 L CA 0.609 55.455 54.840 0.010 0.000 0.810 399 L CB 1.116 43.172 42.059 -0.005 0.000 1.193 399 L HN 0.875 nan 8.230 nan 0.000 0.425 400 S N 2.615 118.326 115.700 0.018 0.000 2.614 400 S HA 0.490 4.960 4.470 -0.000 0.000 0.288 400 S C 0.442 175.065 174.600 0.038 0.000 1.137 400 S CA -0.705 57.514 58.200 0.031 0.000 0.992 400 S CB 0.709 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 2.244 120.969 118.700 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 54.660 53.050 0.054 0.000 0.869 401 N CB -0.716 37.801 38.487 0.049 0.000 1.022 401 N HN 0.787 nan 8.380 nan 0.000 0.433 402 T N -2.069 112.512 114.554 0.045 0.000 2.995 402 T HA 0.136 4.486 4.350 -0.000 0.000 0.269 402 T C 1.555 176.279 174.700 0.040 0.000 1.091 402 T CA 1.492 63.616 62.100 0.041 0.000 1.128 402 T CB -0.147 68.744 68.868 0.038 0.000 0.891 402 T HN 0.370 nan 8.240 nan 0.000 0.492 403 G N 1.161 109.986 108.800 0.042 0.000 2.195 403 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.246 403 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.246 403 G C 0.984 175.908 174.900 0.040 0.000 0.984 403 G CA 0.533 45.656 45.100 0.039 0.000 0.633 403 G HN 0.574 nan 8.290 nan 0.000 0.525 404 R N 0.725 121.251 120.500 0.043 0.000 2.080 404 R HA -0.033 4.306 4.340 -0.000 0.000 0.236 404 R C 2.825 179.157 176.300 0.054 0.000 1.137 404 R CA 2.182 58.310 56.100 0.046 0.000 0.943 404 R CB -0.422 29.907 30.300 0.048 0.000 0.846 404 R HN 0.418 nan 8.270 nan 0.000 0.431 405 S N 0.167 115.901 115.700 0.058 0.000 2.383 405 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 405 S C 1.923 176.557 174.600 0.056 0.000 1.030 405 S CA 1.241 59.479 58.200 0.063 0.000 1.002 405 S CB -0.190 63.046 63.200 0.060 0.000 0.829 405 S HN 0.536 nan 8.310 nan 0.000 0.467 406 A N 1.772 124.619 122.820 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 1.239 53.299 52.037 0.038 0.000 0.623 406 A CB -0.435 18.582 19.000 0.030 0.000 0.818 406 A HN 0.412 nan 8.150 nan 0.000 0.443 407 R N -1.309 119.216 120.500 0.042 0.000 2.096 407 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 407 R C 2.045 178.374 176.300 0.050 0.000 1.127 407 R CA 1.307 57.429 56.100 0.036 0.000 0.968 407 R CB -0.503 29.815 30.300 0.030 0.000 0.861 407 R HN 0.450 nan 8.270 nan 0.000 0.440 408 L N 0.541 121.809 121.223 0.075 0.000 2.046 408 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 408 L C 2.097 179.089 176.870 0.203 0.000 1.077 408 L CA 1.522 56.438 54.840 0.127 0.000 0.747 408 L CB -0.249 41.884 42.059 0.123 0.000 0.896 408 L HN -0.069 nan 8.230 nan 0.000 0.432 409 V N -0.475 119.527 119.914 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 1.527 63.916 62.300 0.148 0.000 1.035 409 V CB -1.204 30.659 31.823 0.067 0.000 0.658 409 V HN 0.556 nan 8.190 nan 0.000 0.452 410 A N 0.151 123.012 122.820 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 1.954 54.007 52.037 0.026 0.000 0.644 410 A CB -0.520 18.487 19.000 0.012 0.000 0.805 410 A HN 0.597 nan 8.150 nan 0.000 0.449 411 K N -1.492 118.900 120.400 -0.014 0.000 2.211 411 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 411 K C 0.923 177.366 176.600 -0.262 0.000 1.047 411 K CA 1.578 57.774 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 0.527 nan 8.250 nan 0.000 0.452 412 Y N 1.142 121.484 120.300 0.070 0.000 2.461 412 Y HA 0.221 4.771 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 -0.172 58.038 58.100 0.184 0.000 1.276 412 Y CB 0.419 39.031 38.460 0.253 0.000 1.087 412 Y HN -0.032 nan 8.280 nan 0.000 0.519 413 R N -0.419 120.130 120.500 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 0.135 0.000 0.912 413 R CA 0.186 56.307 56.100 0.035 0.000 0.633 413 R CB -2.068 28.160 30.300 -0.121 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 0.417 177.672 177.300 -0.076 0.000 1.240 414 P CA -0.160 62.861 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 0.046 118.585 118.700 -0.268 0.000 2.327 415 N HA 0.060 4.800 4.740 -0.000 0.000 0.231 415 N C -0.216 175.302 175.510 0.013 0.000 1.130 415 N CA -0.454 52.584 53.050 -0.021 0.000 0.845 415 N CB -1.143 37.401 38.487 0.094 0.000 1.073 415 N HN 0.446 nan 8.380 nan 0.000 0.496 416 C N -2.710 116.534 119.300 -0.093 0.000 3.171 416 C HA 0.751 5.211 4.460 -0.000 0.000 0.308 416 C C -3.017 171.660 174.990 -0.521 0.000 1.334 416 C CA -1.958 56.903 59.018 -0.261 0.000 1.473 416 C CB 1.472 29.072 27.740 -0.234 0.000 1.866 416 C HN 0.006 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 -0.380 0.000 1.209 417 P CA 0.300 62.841 63.100 -0.931 0.000 0.776 417 P CB 0.301 31.246 31.700 -1.257 0.000 0.876 418 I N 1.940 122.384 120.570 -0.210 0.000 2.378 418 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 418 I C -0.488 175.614 176.117 -0.026 0.000 0.992 418 I CA -0.781 60.465 61.300 -0.089 0.000 1.154 418 I CB 1.739 39.709 38.000 -0.050 0.000 1.315 418 I HN -0.055 nan 8.210 nan 0.000 0.448 419 V N 5.820 125.738 119.914 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 6.630 125.903 119.300 -0.044 0.000 2.330 420 C HA 0.762 5.222 4.460 -0.000 0.000 0.344 420 C C 0.016 174.976 174.990 -0.050 0.000 1.273 420 C CA -0.168 58.831 59.018 -0.031 0.000 1.879 420 C CB 0.431 28.163 27.740 -0.012 0.000 2.376 420 C HN 0.701 nan 8.230 nan 0.000 0.534 421 V N 6.366 126.260 119.914 -0.034 0.000 2.357 421 V HA 0.559 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 0.022 62.299 62.300 -0.038 0.000 0.841 421 V CB 1.525 33.304 31.823 -0.072 0.000 0.991 421 V HN 1.001 nan 8.190 nan 0.000 0.437 422 T N 2.134 116.715 114.554 0.046 0.000 2.893 422 T HA 0.400 4.750 4.350 -0.000 0.000 0.291 422 T C 0.836 175.632 174.700 0.159 0.000 1.028 422 T CA 0.234 62.391 62.100 0.096 0.000 0.995 422 T CB 1.738 70.675 68.868 0.115 0.000 1.051 422 T HN 0.845 nan 8.240 nan 0.000 0.470 423 T N 1.317 115.968 114.554 0.163 0.000 3.122 423 T HA 0.394 4.744 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 -0.023 68.946 68.868 0.169 0.000 1.002 423 T HN 0.329 nan 8.240 nan 0.000 0.542 424 R N 0.221 120.930 120.500 0.347 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 1.213 31.584 30.300 0.118 0.000 1.171 424 R HN 0.056 nan 8.270 nan 0.000 0.445 425 L N 1.645 122.794 121.223 -0.123 0.000 2.083 425 L HA -0.219 4.121 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 1.501 56.176 54.840 -0.275 0.000 0.752 425 L CB -0.054 41.721 42.059 -0.473 0.000 0.899 425 L HN 0.719 nan 8.230 nan 0.000 0.433 426 Q N -0.657 119.102 119.800 -0.069 0.000 2.170 426 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 426 Q C 1.965 177.958 176.000 -0.011 0.000 0.976 426 Q CA 2.038 57.817 55.803 -0.040 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 -0.305 114.257 114.554 0.013 0.000 2.788 427 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 427 T C 1.840 176.557 174.700 0.027 0.000 1.044 427 T CA 1.298 63.416 62.100 0.030 0.000 1.139 427 T CB -0.388 68.513 68.868 0.055 0.000 0.867 427 T HN 0.455 nan 8.240 nan 0.000 0.454 428 C N 1.397 120.712 119.300 0.024 0.000 2.429 428 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 428 C C 2.822 177.817 174.990 0.008 0.000 1.262 428 C CA 0.374 59.403 59.018 0.018 0.000 1.733 428 C CB -1.004 26.744 27.740 0.014 0.000 2.010 428 C HN 0.557 nan 8.230 nan 0.000 0.483 429 R N 0.542 121.037 120.500 -0.007 0.000 2.075 429 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 429 R C 2.299 178.605 176.300 0.010 0.000 1.126 429 R CA 1.204 57.302 56.100 -0.004 0.000 0.963 429 R CB -0.424 29.862 30.300 -0.022 0.000 0.858 429 R HN 0.657 nan 8.270 nan 0.000 0.435 430 Q N 0.615 120.421 119.800 0.010 0.000 2.170 430 Q HA -0.069 4.271 4.340 -0.000 0.000 0.203 430 Q C 1.968 177.988 176.000 0.033 0.000 0.976 430 Q CA 0.964 56.779 55.803 0.021 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 0.774 122.016 121.223 0.031 0.000 2.622 431 L HA -0.074 4.266 4.340 -0.000 0.000 0.233 431 L C 1.090 177.984 176.870 0.040 0.000 1.156 431 L CA 0.013 54.873 54.840 0.034 0.000 0.866 431 L CB -0.197 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 0.674 119.400 118.700 0.043 0.000 2.512 432 N HA -0.082 4.657 4.740 -0.000 0.000 0.183 432 N C 1.554 177.101 175.510 0.061 0.000 1.073 432 N CA 0.795 53.876 53.050 0.052 0.000 0.911 432 N CB 0.006 38.522 38.487 0.049 0.000 0.964 432 N HN 0.531 nan 8.380 nan 0.000 0.447 433 I N -4.032 116.576 120.570 0.063 0.000 3.956 433 I HA 0.242 4.412 4.170 -0.000 0.000 0.333 433 I C -0.322 175.823 176.117 0.046 0.000 1.302 433 I CA 0.054 61.395 61.300 0.067 0.000 1.122 433 I CB 0.082 38.137 38.000 0.092 0.000 1.013 433 I HN -0.279 nan 8.210 nan 0.000 0.405 434 T N 3.086 117.664 114.554 0.041 0.000 2.767 434 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 434 T C -0.124 174.594 174.700 0.030 0.000 0.973 434 T CA -0.422 61.696 62.100 0.029 0.000 0.996 434 T CB 1.301 70.185 68.868 0.027 0.000 0.927 434 T HN 0.401 nan 8.240 nan 0.000 0.456 435 Q N 1.857 121.668 119.800 0.018 0.000 2.392 435 Q HA 0.458 4.798 4.340 -0.000 0.000 0.262 435 Q C 1.087 177.110 176.000 0.038 0.000 1.003 435 Q CA 0.421 56.239 55.803 0.024 0.000 0.888 435 Q CB -0.138 28.600 28.738 0.001 0.000 1.260 435 Q HN 0.842 nan 8.270 nan 0.000 0.435 436 G N 0.357 109.203 108.800 0.077 0.000 2.153 436 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.252 436 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.252 436 G C -0.369 174.572 174.900 0.068 0.000 0.994 436 G CA 0.104 45.276 45.100 0.121 0.000 0.698 436 G HN 0.693 nan 8.290 nan 0.000 0.521 437 V N -0.150 119.800 119.914 0.061 0.000 2.656 437 V HA 0.655 4.775 4.120 -0.000 0.000 0.307 437 V C -0.060 176.068 176.094 0.056 0.000 1.051 437 V CA -0.782 61.541 62.300 0.038 0.000 0.893 437 V CB 2.007 33.846 31.823 0.027 0.000 0.999 437 V HN 0.358 nan 8.190 nan 0.000 0.426 438 E N 1.765 121.992 120.200 0.046 0.000 2.222 438 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 438 E C -1.156 175.392 176.600 -0.088 0.000 0.884 438 E CA -0.483 55.941 56.400 0.040 0.000 0.764 438 E CB 2.256 32.065 29.700 0.182 0.000 1.169 438 E HN 0.646 nan 8.360 nan 0.000 0.413 439 S N 1.259 116.889 115.700 -0.116 0.000 2.509 439 S HA 0.467 4.937 4.470 -0.000 0.000 0.297 439 S C -0.623 173.827 174.600 -0.250 0.000 1.118 439 S CA -0.748 57.372 58.200 -0.134 0.000 1.074 439 S CB 1.452 64.635 63.200 -0.029 0.000 1.038 439 S HN 0.229 nan 8.310 nan 0.000 0.498 440 V N 3.818 123.602 119.914 -0.217 0.000 2.409 440 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 440 V C -0.622 175.507 176.094 0.058 0.000 1.020 440 V CA -0.784 61.422 62.300 -0.156 0.000 0.848 440 V CB 0.966 32.654 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 0.592 5.119 4.527 -0.000 0.000 0.352 441 F C -0.723 175.144 175.800 0.111 0.000 1.100 441 F CA -1.060 56.964 58.000 0.041 0.000 1.191 441 F CB 0.767 39.776 39.000 0.015 0.000 1.128 441 F HN 0.429 nan 8.300 nan 0.000 0.533 442 F N 6.456 125.907 119.950 -0.832 0.000 2.460 442 F HA 0.278 4.805 4.527 -0.000 0.000 0.341 442 F C -0.630 174.565 175.800 -1.008 0.000 1.130 442 F CA -0.885 56.700 58.000 -0.692 0.000 0.962 442 F CB 0.543 39.357 39.000 -0.310 0.000 1.171 442 F HN 0.404 nan 8.300 nan 0.000 0.436 443 D N 5.083 124.770 120.400 -1.189 0.000 2.374 443 D HA 0.281 4.921 4.640 -0.000 0.000 0.240 443 D C 0.919 176.922 176.300 -0.494 0.000 1.229 443 D CA 0.376 53.942 54.000 -0.724 0.000 0.895 443 D CB 1.617 42.189 40.800 -0.380 0.000 1.046 443 D HN 0.718 nan 8.370 nan 0.000 0.498 444 A N 4.036 126.750 122.820 -0.176 0.000 1.933 444 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 444 A C 1.702 179.213 177.584 -0.122 0.000 1.175 444 A CA 1.306 53.332 52.037 -0.018 0.000 0.628 444 A CB -0.098 19.008 19.000 0.177 0.000 0.814 444 A HN 0.488 nan 8.150 nan 0.000 0.444 445 D N -0.425 119.919 120.400 -0.093 0.000 2.097 445 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 445 D C 1.971 178.189 176.300 -0.136 0.000 0.989 445 D CA 1.341 55.282 54.000 -0.099 0.000 0.827 445 D CB -0.122 40.658 40.800 -0.035 0.000 0.966 445 D HN 0.219 nan 8.370 nan 0.000 0.456 446 K N 0.342 120.646 120.400 -0.159 0.000 2.167 446 K HA 0.070 4.390 4.320 -0.000 0.000 0.203 446 K C 1.477 177.941 176.600 -0.226 0.000 1.052 446 K CA 0.537 56.722 56.287 -0.170 0.000 0.956 446 K CB 0.033 32.437 32.500 -0.160 0.000 0.735 446 K HN 0.224 nan 8.250 nan 0.000 0.451 447 L N -0.564 120.465 121.223 -0.324 0.000 2.766 447 L HA 0.292 4.632 4.340 -0.000 0.000 0.242 447 L C 0.618 177.380 176.870 -0.180 0.000 1.136 447 L CA -0.044 54.591 54.840 -0.342 0.000 0.933 447 L CB 0.505 42.171 42.059 -0.654 0.000 1.241 447 L HN 0.213 nan 8.230 nan 0.000 0.522 448 G N -0.361 108.348 108.800 -0.152 0.000 2.746 448 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.685 448 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.685 448 G C 0.027 174.963 174.900 0.060 0.000 1.350 448 G CA -0.501 44.535 45.100 -0.107 0.000 0.837 448 G HN 0.156 nan 8.290 nan 0.000 0.564 449 H N 0.504 119.634 119.070 0.099 0.000 2.524 449 H HA 0.039 4.595 4.556 -0.000 0.000 0.282 449 H C 1.704 177.084 175.328 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 29.740 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 1.209 177.527 176.300 0.030 0.000 1.148 450 D CA 0.749 54.836 54.000 0.144 0.000 0.656 450 D CB -0.621 40.216 40.800 0.062 0.000 1.050 450 D HN 0.606 nan 8.370 nan 0.000 0.426 451 E N -0.994 119.234 120.200 0.046 0.000 2.204 451 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 451 E C 2.105 178.702 176.600 -0.005 0.000 0.990 451 E CA 1.237 57.642 56.400 0.009 0.000 0.821 451 E CB -0.346 29.360 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 -0.059 3.901 3.960 -0.000 0.000 0.209 452 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.209 452 G C 0.641 175.520 174.900 -0.034 0.000 1.157 452 G CA 0.247 45.350 45.100 0.006 0.000 0.779 452 G HN 0.196 nan 8.290 nan 0.000 0.539 453 K N -0.943 119.363 120.400 -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 1.347 57.447 56.287 -0.311 0.000 0.976 453 K CB -1.253 30.918 32.500 -0.549 0.000 1.294 453 K HN 0.612 nan 8.250 nan 0.000 0.464 454 E N -0.046 119.988 120.200 -0.275 0.000 2.110 454 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 454 E C 1.460 177.904 176.600 -0.260 0.000 0.988 454 E CA 1.618 57.855 56.400 -0.271 0.000 0.804 454 E CB -0.291 29.230 29.700 -0.299 0.000 0.745 454 E HN 0.607 nan 8.360 nan 0.000 0.458 455 H N 0.737 119.742 119.070 -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 0.054 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 2.314 178.492 176.300 -0.203 0.000 1.131 456 R CA 1.272 57.067 56.100 -0.509 0.000 0.960 456 R CB -0.298 29.637 30.300 -0.607 0.000 0.856 456 R HN 0.151 nan 8.270 nan 0.000 0.436 457 V N 0.893 120.704 119.914 -0.171 0.000 2.343 457 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 457 V C 2.408 178.494 176.094 -0.013 0.000 1.051 457 V CA 1.967 64.222 62.300 -0.074 0.000 1.036 457 V CB -0.657 31.124 31.823 -0.070 0.000 0.654 457 V HN 0.420 nan 8.190 nan 0.000 0.451 458 A N -0.075 122.745 122.820 -0.000 0.000 1.933 458 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 458 A C 2.423 180.051 177.584 0.074 0.000 1.175 458 A CA 2.023 54.088 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 -0.461 122.410 122.820 0.086 0.000 1.902 459 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 459 A C 2.415 180.071 177.584 0.121 0.000 1.181 459 A CA 1.901 54.009 52.037 0.118 0.000 0.623 459 A CB -1.375 17.720 19.000 0.158 0.000 0.818 459 A HN 0.711 nan 8.150 nan 0.000 0.443 460 G N -0.679 108.165 108.800 0.075 0.000 2.418 460 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 460 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 460 G C 1.518 176.510 174.900 0.153 0.000 1.158 460 G CA 1.179 46.336 45.100 0.095 0.000 0.771 460 G HN 0.302 nan 8.290 nan 0.000 0.545 461 V N 0.800 120.778 119.914 0.106 0.000 2.343 461 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 461 V C 2.719 178.873 176.094 0.100 0.000 1.051 461 V CA 2.332 64.690 62.300 0.097 0.000 1.036 461 V CB -0.144 31.717 31.823 0.065 0.000 0.654 461 V HN 0.484 nan 8.190 nan 0.000 0.451 462 E N 0.195 120.457 120.200 0.104 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 1.686 58.135 56.400 0.082 0.000 0.800 462 E CB -0.535 29.216 29.700 0.085 0.000 0.746 462 E HN 0.560 nan 8.360 nan 0.000 0.452 463 F N 0.529 120.486 119.950 0.012 0.000 2.134 463 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 463 F C 2.036 177.816 175.800 -0.032 0.000 1.097 463 F CA 1.757 59.757 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 0.251 123.146 122.820 0.125 0.000 1.933 464 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 464 A C 2.282 179.782 177.584 -0.139 0.000 1.175 464 A CA 1.692 53.748 52.037 0.031 0.000 0.628 464 A CB -0.664 18.441 19.000 0.176 0.000 0.814 464 A HN 0.444 nan 8.150 nan 0.000 0.444 465 K N 0.014 120.361 120.400 -0.089 0.000 2.057 465 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 465 K C 2.528 179.017 176.600 -0.186 0.000 1.049 465 K CA 1.571 57.795 56.287 -0.104 0.000 0.931 465 K CB -0.214 32.256 32.500 -0.049 0.000 0.714 465 K HN 0.638 nan 8.250 nan 0.000 0.440 466 S N 1.140 116.701 115.700 -0.232 0.000 2.382 466 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 466 S C 1.654 176.021 174.600 -0.389 0.000 1.027 466 S CA 1.071 59.109 58.200 -0.270 0.000 0.991 466 S CB -0.021 63.041 63.200 -0.230 0.000 0.823 466 S HN 0.129 nan 8.310 nan 0.000 0.469 467 K N 0.566 120.585 120.400 -0.635 0.000 2.444 467 K HA 0.207 4.527 4.320 -0.000 0.000 0.193 467 K C 1.400 177.600 176.600 -0.666 0.000 1.024 467 K CA 0.637 56.474 56.287 -0.750 0.000 1.077 467 K CB -0.132 31.668 32.500 -1.167 0.000 0.833 467 K HN 0.648 nan 8.250 nan 0.000 0.517 468 G N 1.273 109.794 108.800 -0.465 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 0.585 175.421 174.900 -0.106 0.000 0.977 468 G CA 0.253 45.209 45.100 -0.240 0.000 0.652 468 G HN 0.204 nan 8.290 nan 0.000 0.531 469 Y N -0.017 120.242 120.300 -0.068 0.000 2.224 469 Y HA 0.231 4.781 4.550 -0.000 0.000 0.289 469 Y C 1.959 177.832 175.900 -0.044 0.000 1.146 469 Y CA 0.883 58.950 58.100 -0.055 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 -1.473 118.487 119.914 0.076 0.000 2.914 470 V HA 0.695 4.815 4.120 -0.000 0.000 0.314 470 V C -0.899 175.190 176.094 -0.007 0.000 1.084 470 V CA -1.226 61.092 62.300 0.031 0.000 0.963 470 V CB 2.069 33.914 31.823 0.036 0.000 1.025 470 V HN 0.156 nan 8.190 nan 0.000 0.432 471 Q N 0.766 120.557 119.800 -0.016 0.000 2.587 471 Q HA 0.643 4.984 4.340 -0.000 0.000 0.293 471 Q C -0.540 175.440 176.000 -0.034 0.000 1.083 471 Q CA -0.894 54.893 55.803 -0.027 0.000 0.792 471 Q CB 1.457 30.179 28.738 -0.028 0.000 1.484 471 Q HN 0.880 nan 8.270 nan 0.000 0.446 472 T N -1.224 113.310 114.554 -0.034 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 62.381 62.100 -0.037 0.000 1.137 472 T CB 0.509 69.360 68.868 -0.028 0.000 0.976 472 T HN 1.084 nan 8.240 nan 0.000 0.547 473 G N 1.750 110.503 108.800 -0.079 0.000 2.195 473 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G C -0.163 174.593 174.900 -0.239 0.000 0.984 473 G CA -0.054 44.967 45.100 -0.133 0.000 0.633 473 G HN 0.791 nan 8.290 nan 0.000 0.525 474 D N -0.091 120.200 120.400 -0.182 0.000 2.344 474 D HA 0.521 5.161 4.640 -0.000 0.000 0.244 474 D C 0.154 176.346 176.300 -0.181 0.000 1.134 474 D CA 0.051 53.927 54.000 -0.207 0.000 0.930 474 D CB 0.377 41.130 40.800 -0.079 0.000 1.175 474 D HN 0.134 nan 8.370 nan 0.000 0.437 475 Y N 0.084 120.379 120.300 -0.009 0.000 2.308 475 Y HA 0.295 4.845 4.550 -0.000 0.000 0.329 475 Y C 0.450 176.339 175.900 -0.018 0.000 1.111 475 Y CA -0.993 57.098 58.100 -0.014 0.000 1.179 475 Y CB 1.269 39.717 38.460 -0.020 0.000 1.201 475 Y HN 0.203 nan 8.280 nan 0.000 0.483 476 C N 4.258 123.658 119.300 0.166 0.000 2.396 476 C HA 0.801 5.261 4.460 -0.000 0.000 0.321 476 C C -0.821 174.194 174.990 0.042 0.000 1.233 476 C CA -0.661 58.404 59.018 0.078 0.000 1.440 476 C CB -0.312 27.467 27.740 0.064 0.000 2.110 476 C HN 0.619 nan 8.230 nan 0.000 0.473 477 V N 6.902 126.816 119.914 0.000 0.000 2.407 477 V HA 0.531 4.651 4.120 -0.000 0.000 0.278 477 V C -0.040 176.034 176.094 -0.034 0.000 1.037 477 V CA -0.188 62.090 62.300 -0.036 0.000 0.900 477 V CB 1.496 33.280 31.823 -0.066 0.000 0.983 477 V HN 0.742 nan 8.190 nan 0.000 0.459 478 V N 6.652 126.538 119.914 -0.046 0.000 2.604 478 V HA 0.575 4.695 4.120 -0.000 0.000 0.305 478 V C -0.375 175.646 176.094 -0.122 0.000 1.043 478 V CA -0.492 61.786 62.300 -0.037 0.000 0.888 478 V CB 2.033 33.864 31.823 0.014 0.000 0.995 478 V HN 0.691 nan 8.190 nan 0.000 0.429 479 I N 5.492 126.009 120.570 -0.089 0.000 2.447 479 I HA 0.712 4.882 4.170 -0.000 0.000 0.287 479 I C -0.456 175.612 176.117 -0.082 0.000 1.023 479 I CA -0.247 60.965 61.300 -0.148 0.000 1.083 479 I CB 1.653 39.617 38.000 -0.059 0.000 1.245 479 I HN 1.031 nan 8.210 nan 0.000 0.434 480 H N 3.878 122.916 119.070 -0.053 0.000 2.888 480 H HA 0.791 5.347 4.556 0.000 0.000 0.267 480 H C -0.972 174.302 175.328 -0.091 0.000 1.482 480 H CA -1.008 55.000 56.048 -0.065 0.000 1.165 480 H CB 0.465 30.182 29.762 -0.075 0.000 1.866 480 H HN 0.542 nan 8.280 nan 0.000 0.599 481 A N 0.392 123.275 122.820 0.105 0.000 2.313 481 A HA 0.420 4.740 4.320 -0.000 0.000 0.261 481 A C -0.126 177.492 177.584 0.055 0.000 1.090 481 A CA 0.160 52.187 52.037 -0.017 0.000 0.807 481 A CB -0.296 18.642 19.000 -0.103 0.000 1.055 481 A HN 0.810 nan 8.150 nan 0.000 0.492 482 D N -1.042 119.311 120.400 -0.079 0.000 2.440 482 D HA 0.126 4.766 4.640 -0.000 0.000 0.269 482 D C 0.791 177.027 176.300 -0.105 0.000 1.249 482 D CA -0.071 53.834 54.000 -0.160 0.000 1.055 482 D CB -0.091 40.612 40.800 -0.162 0.000 1.104 482 D HN 0.466 nan 8.370 nan 0.000 0.561 483 H N -0.963 118.097 119.070 -0.017 0.000 2.389 483 H HA -0.026 4.530 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 1.344 57.376 56.048 -0.027 0.000 1.345 483 H CB -0.078 29.671 29.762 -0.022 0.000 1.393 483 H HN 0.473 nan 8.280 nan 0.000 0.520 484 K N 0.832 121.276 120.400 0.074 0.000 2.031 484 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 484 K C 0.428 177.013 176.600 -0.025 0.000 1.049 484 K CA 0.280 56.579 56.287 0.021 0.000 0.939 484 K CB 0.177 32.685 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 0.022 176.012 176.094 -0.174 0.000 1.046 485 V CA 0.214 62.419 62.300 -0.159 0.000 1.066 485 V CB 1.116 32.756 31.823 -0.305 0.000 0.968 485 V HN 0.206 nan 8.190 nan 0.000 0.483 486 K N 2.702 123.013 120.400 -0.149 0.000 2.371 486 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 486 K C 0.769 177.343 176.600 -0.044 0.000 0.934 486 K CA 0.035 56.268 56.287 -0.091 0.000 0.798 486 K CB 1.731 34.210 32.500 -0.035 0.000 1.204 486 K HN 0.903 nan 8.250 nan 0.000 0.427 487 G N 1.569 110.364 108.800 -0.009 0.000 2.213 487 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 487 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 487 G C -0.346 174.674 174.900 0.201 0.000 0.991 487 G CA 0.813 45.970 45.100 0.094 0.000 0.629 487 G HN 0.669 nan 8.290 nan 0.000 0.517 488 Y N -2.654 117.654 120.300 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 0.676 39.144 38.460 0.013 0.000 1.306 488 Y HN 0.984 nan 8.280 nan 0.000 0.454 489 A N 1.277 124.163 122.820 0.109 0.000 2.260 489 A HA 0.395 4.715 4.320 -0.000 0.000 0.314 489 A C -0.216 177.402 177.584 0.056 0.000 1.257 489 A CA -0.349 51.688 52.037 -0.001 0.000 0.871 489 A CB -0.494 18.526 19.000 0.032 0.000 1.166 489 A HN 0.960 nan 8.150 nan 0.000 0.522 490 N N 1.632 120.281 118.700 -0.084 0.000 2.203 490 N HA 0.103 4.843 4.740 -0.000 0.000 0.207 490 N C 0.089 175.569 175.510 -0.049 0.000 1.130 490 N CA -0.215 52.838 53.050 0.004 0.000 0.861 490 N CB 0.402 38.874 38.487 -0.024 0.000 1.005 490 N HN 0.668 nan 8.380 nan 0.000 0.507 491 Q N 0.457 120.190 119.800 -0.111 0.000 2.372 491 Q HA 0.327 4.667 4.340 -0.000 0.000 0.273 491 Q C -1.707 174.164 176.000 -0.215 0.000 1.078 491 Q CA -0.708 54.992 55.803 -0.170 0.000 0.806 491 Q CB 2.470 31.070 28.738 -0.229 0.000 1.332 491 Q HN 0.102 nan 8.270 nan 0.000 0.435 492 T N 2.334 116.782 114.554 -0.178 0.000 2.876 492 T HA 0.714 5.064 4.350 -0.000 0.000 0.289 492 T C -1.466 173.138 174.700 -0.160 0.000 1.014 492 T CA -0.478 61.519 62.100 -0.173 0.000 0.986 492 T CB 0.898 69.697 68.868 -0.115 0.000 1.021 492 T HN 0.622 nan 8.240 nan 0.000 0.458 493 R N 3.152 123.560 120.500 -0.154 0.000 2.628 493 R HA 0.602 4.942 4.340 -0.000 0.000 0.288 493 R C -0.889 175.361 176.300 -0.083 0.000 0.980 493 R CA -0.698 55.337 56.100 -0.108 0.000 0.891 493 R CB 1.950 32.194 30.300 -0.093 0.000 1.188 493 R HN 0.520 nan 8.270 nan 0.000 0.450 494 I N 4.947 125.466 120.570 -0.085 0.000 2.307 494 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 494 I C -0.655 175.445 176.117 -0.028 0.000 1.021 494 I CA -0.716 60.529 61.300 -0.090 0.000 1.224 494 I CB 0.596 38.476 38.000 -0.201 0.000 1.376 494 I HN 0.343 nan 8.210 nan 0.000 0.470 495 L N 5.765 127.010 121.223 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 -0.900 53.988 54.840 0.079 0.000 0.815 495 L CB 0.942 43.032 42.059 0.052 0.000 1.268 495 L HN 0.301 nan 8.230 nan 0.000 0.428 496 L N 3.166 124.479 121.223 0.150 0.000 2.349 496 L HA 0.587 4.927 4.340 -0.000 0.000 0.275 496 L C -0.056 176.845 176.870 0.052 0.000 1.115 496 L CA -0.058 54.855 54.840 0.121 0.000 0.820 496 L CB 1.565 43.681 42.059 0.096 0.000 1.135 496 L HN 0.640 nan 8.230 nan 0.000 0.445 497 V N 2.783 122.708 119.914 0.017 0.000 2.439 497 V HA 0.698 4.818 4.120 -0.000 0.000 0.282 497 V C -0.276 175.816 176.094 -0.004 0.000 1.039 497 V CA -0.352 61.955 62.300 0.011 0.000 0.913 497 V CB 1.247 33.077 31.823 0.012 0.000 0.983 497 V HN 0.934 nan 8.190 nan 0.000 0.460 498 E N 0.000 120.202 120.200 0.003 0.000 2.725 498 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 498 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 498 E CB 0.000 29.702 29.700 0.003 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440