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 3hqo_1_B 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 XXXXXXXYAN 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 0.000 174.619 174.600 0.032 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 2 Q N 0.490 120.304 119.800 0.024 0.000 2.124 2 Q HA 0.083 4.422 4.340 -0.001 0.000 0.202 2 Q C 1.681 177.707 176.000 0.044 0.000 0.977 2 Q CA 2.124 57.958 55.803 0.052 0.000 0.850 2 Q CB -0.486 28.260 28.738 0.014 0.000 0.901 2 Q HN 0.715 nan 8.270 nan 0.000 0.429 3 L N -0.538 120.693 121.223 0.013 0.000 2.141 3 L HA -0.041 4.298 4.340 -0.001 0.000 0.209 3 L C 2.114 178.989 176.870 0.008 0.000 1.094 3 L CA 1.110 55.948 54.840 -0.004 0.000 0.763 3 L CB -0.388 41.664 42.059 -0.012 0.000 0.908 3 L HN 0.379 nan 8.230 nan 0.000 0.437 4 A N -1.110 121.730 122.820 0.033 0.000 1.898 4 A HA -0.296 4.023 4.320 -0.001 0.000 0.216 4 A C 2.080 179.714 177.584 0.082 0.000 1.181 4 A CA 1.712 53.776 52.037 0.046 0.000 0.620 4 A CB -0.795 18.233 19.000 0.046 0.000 0.819 4 A HN 0.611 nan 8.150 nan 0.000 0.442 5 H N 0.275 119.349 119.070 0.006 0.000 2.423 5 H HA -0.035 4.521 4.556 -0.002 0.000 0.297 5 H C 1.773 177.111 175.328 0.017 0.000 1.075 5 H CA 1.720 57.780 56.048 0.020 0.000 1.342 5 H CB -0.231 29.549 29.762 0.030 0.000 1.395 5 H HN 0.380 nan 8.280 nan 0.000 0.530 6 N N 0.000 118.611 118.700 -0.148 0.000 2.289 6 N HA -0.084 4.655 4.740 -0.001 0.000 0.184 6 N C 1.705 177.134 175.510 -0.134 0.000 1.016 6 N CA 0.975 53.907 53.050 -0.196 0.000 0.872 6 N CB -0.147 38.268 38.487 -0.120 0.000 0.973 6 N HN 0.427 nan 8.380 nan 0.000 0.433 7 L N -0.357 120.824 121.223 -0.070 0.000 2.313 7 L HA -0.003 4.336 4.340 -0.001 0.000 0.214 7 L C 1.941 178.795 176.870 -0.026 0.000 1.119 7 L CA 1.139 55.956 54.840 -0.037 0.000 0.809 7 L CB -0.573 41.480 42.059 -0.011 0.000 0.933 7 L HN 0.247 nan 8.230 nan 0.000 0.449 8 T N -2.614 111.923 114.554 -0.029 0.000 3.100 8 T HA 0.168 4.517 4.350 -0.001 0.000 0.253 8 T C 0.817 175.510 174.700 -0.011 0.000 1.118 8 T CA -0.125 61.980 62.100 0.009 0.000 1.058 8 T CB -0.146 68.768 68.868 0.077 0.000 0.953 8 T HN 0.037 nan 8.240 nan 0.000 0.515 9 L N 1.427 122.605 121.223 -0.076 0.000 2.466 9 L HA 0.590 4.930 4.340 -0.001 0.000 0.257 9 L C 0.418 177.269 176.870 -0.031 0.000 1.189 9 L CA -0.610 54.191 54.840 -0.065 0.000 0.813 9 L CB 1.108 43.094 42.059 -0.121 0.000 1.118 9 L HN 0.219 nan 8.230 nan 0.000 0.471 10 S N -0.629 115.058 115.700 -0.023 0.000 2.537 10 S HA 0.314 4.783 4.470 -0.001 0.000 0.271 10 S C 0.475 175.019 174.600 -0.093 0.000 1.148 10 S CA -0.789 57.391 58.200 -0.034 0.000 0.868 10 S CB 1.303 64.536 63.200 0.055 0.000 1.115 10 S HN 0.566 nan 8.310 nan 0.000 0.461 11 I N 0.785 121.205 120.570 -0.251 0.000 2.454 11 I HA 0.045 4.214 4.170 -0.001 0.000 0.254 11 I C 1.091 177.021 176.117 -0.312 0.000 1.156 11 I CA 1.542 62.635 61.300 -0.345 0.000 1.433 11 I CB -0.449 37.250 38.000 -0.501 0.000 1.082 11 I HN 0.507 nan 8.210 nan 0.000 0.432 12 F N 1.346 121.301 119.950 0.007 0.000 2.780 12 F HA 0.132 4.659 4.527 -0.001 0.000 0.299 12 F C 0.609 176.415 175.800 0.010 0.000 1.146 12 F CA -0.390 57.614 58.000 0.007 0.000 1.428 12 F CB -1.002 38.002 39.000 0.007 0.000 1.115 12 F HN -0.011 nan 8.300 nan 0.000 0.583 13 D N 2.820 123.303 120.400 0.138 0.000 2.502 13 D HA 0.012 4.651 4.640 -0.001 0.000 0.249 13 D C -2.029 174.317 176.300 0.076 0.000 1.188 13 D CA -0.642 53.416 54.000 0.097 0.000 0.890 13 D CB 0.084 40.922 40.800 0.064 0.000 1.140 13 D HN 0.058 nan 8.370 nan 0.000 0.505 14 P HA 0.004 nan 4.420 nan 0.000 0.268 14 P C -0.245 177.077 177.300 0.036 0.000 1.204 14 P CA -0.487 62.645 63.100 0.054 0.000 0.768 14 P CB 0.514 32.245 31.700 0.052 0.000 0.842 15 V N 0.257 120.183 119.914 0.020 0.000 3.051 15 V HA 0.535 4.655 4.120 -0.001 0.000 0.306 15 V C 0.548 176.639 176.094 -0.004 0.000 1.083 15 V CA -1.105 61.192 62.300 -0.005 0.000 1.104 15 V CB -0.173 31.636 31.823 -0.022 0.000 1.027 15 V HN 0.688 nan 8.190 nan 0.000 0.483 16 A N 2.721 125.516 122.820 -0.042 0.000 2.448 16 A HA 0.196 4.515 4.320 -0.001 0.000 0.239 16 A C 1.169 178.757 177.584 0.006 0.000 1.080 16 A CA 0.237 52.250 52.037 -0.041 0.000 0.779 16 A CB -0.408 18.479 19.000 -0.188 0.000 1.026 16 A HN 1.131 nan 8.150 nan 0.000 0.499 17 N N -0.484 118.285 118.700 0.115 0.000 2.449 17 N HA 0.115 4.855 4.740 -0.001 0.000 0.191 17 N C -0.436 175.250 175.510 0.293 0.000 1.161 17 N CA 0.350 53.511 53.050 0.186 0.000 0.863 17 N CB -0.082 38.535 38.487 0.217 0.000 0.980 17 N HN 0.754 nan 8.380 nan 0.000 0.458 18 Y N -1.813 118.501 120.300 0.023 0.000 2.552 18 Y HA 0.490 5.039 4.550 -0.001 0.000 0.337 18 Y C -1.149 174.742 175.900 -0.015 0.000 1.094 18 Y CA -1.566 56.544 58.100 0.016 0.000 1.028 18 Y CB 1.078 39.469 38.460 -0.114 0.000 1.321 18 Y HN -0.260 nan 8.280 nan 0.000 0.456 19 R N 1.858 122.336 120.500 -0.037 0.000 2.404 19 R HA 0.743 5.082 4.340 -0.001 0.000 0.291 19 R C -0.001 176.266 176.300 -0.055 0.000 1.025 19 R CA 0.372 56.391 56.100 -0.135 0.000 0.991 19 R CB 1.582 31.860 30.300 -0.036 0.000 1.053 19 R HN 1.046 nan 8.270 nan 0.000 0.479 20 A N 3.586 126.319 122.820 -0.145 0.000 1.938 20 A HA 0.314 4.633 4.320 -0.001 0.000 0.207 20 A C 0.543 178.113 177.584 -0.023 0.000 1.292 20 A CA 0.549 52.569 52.037 -0.028 0.000 0.700 20 A CB -0.266 18.685 19.000 -0.082 0.000 0.947 20 A HN 0.734 nan 8.150 nan 0.000 0.476 21 A N 1.079 123.856 122.820 -0.071 0.000 2.531 21 A HA 0.451 4.770 4.320 -0.001 0.000 0.236 21 A C 0.044 177.619 177.584 -0.015 0.000 1.062 21 A CA -0.063 51.942 52.037 -0.053 0.000 0.760 21 A CB 0.019 18.971 19.000 -0.080 0.000 0.995 21 A HN 0.368 nan 8.150 nan 0.000 0.501 22 R N 2.000 122.501 120.500 0.001 0.000 2.338 22 R HA 0.417 4.757 4.340 -0.001 0.000 0.317 22 R C -0.706 175.608 176.300 0.024 0.000 0.968 22 R CA -0.319 55.795 56.100 0.023 0.000 0.849 22 R CB 1.001 31.323 30.300 0.036 0.000 1.128 22 R HN 0.708 nan 8.270 nan 0.000 0.448 23 I N 4.240 124.828 120.570 0.031 0.000 2.474 23 I HA 0.285 4.454 4.170 -0.001 0.000 0.287 23 I C 0.444 176.593 176.117 0.052 0.000 1.048 23 I CA -0.181 61.140 61.300 0.035 0.000 1.383 23 I CB 0.795 38.816 38.000 0.035 0.000 1.412 23 I HN 0.321 nan 8.210 nan 0.000 0.531 24 I N 5.386 125.991 120.570 0.058 0.000 2.436 24 I HA 0.348 4.517 4.170 -0.001 0.000 0.289 24 I C -0.744 175.421 176.117 0.080 0.000 1.010 24 I CA -0.363 60.990 61.300 0.088 0.000 1.098 24 I CB 1.716 39.792 38.000 0.127 0.000 1.266 24 I HN 0.539 nan 8.210 nan 0.000 0.434 25 C N 3.274 122.623 119.300 0.082 0.000 2.454 25 C HA 0.570 5.029 4.460 -0.001 0.000 0.336 25 C C 0.562 175.605 174.990 0.087 0.000 1.189 25 C CA -0.451 58.611 59.018 0.073 0.000 1.877 25 C CB 1.692 29.466 27.740 0.057 0.000 2.348 25 C HN 0.648 nan 8.230 nan 0.000 0.508 26 T N 3.852 118.454 114.554 0.082 0.000 2.744 26 T HA 0.366 4.715 4.350 -0.001 0.000 0.291 26 T C 0.074 174.820 174.700 0.078 0.000 0.957 26 T CA -0.121 62.035 62.100 0.094 0.000 1.002 26 T CB 0.066 68.993 68.868 0.098 0.000 0.919 26 T HN 0.340 nan 8.240 nan 0.000 0.468 27 I N 3.912 124.530 120.570 0.080 0.000 2.396 27 I HA 0.474 4.643 4.170 -0.001 0.000 0.289 27 I C 0.995 177.165 176.117 0.089 0.000 1.056 27 I CA 0.064 61.400 61.300 0.060 0.000 1.365 27 I CB 0.268 38.284 38.000 0.028 0.000 1.407 27 I HN 0.726 nan 8.210 nan 0.000 0.509 28 G N 7.277 116.127 108.800 0.083 0.000 2.921 28 G HA2 0.540 4.499 3.960 -0.001 0.000 0.291 28 G HA3 0.540 4.499 3.960 -0.001 0.000 0.291 28 G C -2.267 172.704 174.900 0.119 0.000 1.370 28 G CA -0.562 44.613 45.100 0.125 0.000 0.847 28 G HN 0.294 nan 8.290 nan 0.000 0.532 29 P HA -0.118 nan 4.420 nan 0.000 0.217 29 P C 1.687 179.011 177.300 0.040 0.000 1.148 29 P CA 1.563 64.710 63.100 0.078 0.000 0.834 29 P CB 0.172 31.885 31.700 0.021 0.000 0.783 30 S N -1.337 114.376 115.700 0.021 0.000 2.489 30 S HA -0.013 4.456 4.470 -0.001 0.000 0.228 30 S C 1.358 175.964 174.600 0.010 0.000 0.995 30 S CA 1.561 59.763 58.200 0.002 0.000 0.934 30 S CB -0.525 62.666 63.200 -0.015 0.000 0.771 30 S HN 0.425 nan 8.310 nan 0.000 0.522 31 T N -2.344 112.223 114.554 0.022 0.000 3.403 31 T HA 0.305 4.654 4.350 -0.001 0.000 0.308 31 T C 0.799 175.506 174.700 0.012 0.000 0.952 31 T CA -0.439 61.672 62.100 0.018 0.000 0.970 31 T CB 0.121 69.002 68.868 0.022 0.000 1.189 31 T HN 0.124 nan 8.240 nan 0.000 0.528 32 Q N 2.031 121.838 119.800 0.012 0.000 2.269 32 Q HA 0.102 4.441 4.340 -0.001 0.000 0.201 32 Q C 0.903 176.891 176.000 -0.019 0.000 0.946 32 Q CA 0.487 56.278 55.803 -0.021 0.000 0.877 32 Q CB 0.169 28.882 28.738 -0.041 0.000 0.963 32 Q HN 0.705 nan 8.270 nan 0.000 0.472 33 S N -0.302 115.397 115.700 -0.001 0.000 2.568 33 S HA 0.004 4.473 4.470 -0.001 0.000 0.282 33 S C 1.445 176.043 174.600 -0.002 0.000 1.338 33 S CA 0.002 58.202 58.200 -0.001 0.000 1.045 33 S CB 1.194 64.397 63.200 0.006 0.000 0.873 33 S HN 0.218 nan 8.310 nan 0.000 0.516 34 V N -0.722 119.190 119.914 -0.003 0.000 2.407 34 V HA -0.113 4.006 4.120 -0.001 0.000 0.248 34 V C 2.338 178.434 176.094 0.003 0.000 1.055 34 V CA 2.023 64.323 62.300 -0.001 0.000 1.049 34 V CB -1.409 30.413 31.823 -0.002 0.000 0.662 34 V HN 0.901 nan 8.190 nan 0.000 0.455 35 E N 1.263 121.466 120.200 0.005 0.000 2.268 35 E HA -0.020 4.330 4.350 -0.001 0.000 0.195 35 E C 1.996 178.603 176.600 0.010 0.000 0.995 35 E CA 1.444 57.849 56.400 0.008 0.000 0.836 35 E CB -0.373 29.331 29.700 0.007 0.000 0.763 35 E HN 0.713 nan 8.360 nan 0.000 0.491 36 A N -0.428 122.398 122.820 0.010 0.000 1.956 36 A HA 0.103 4.422 4.320 -0.001 0.000 0.212 36 A C 2.097 179.690 177.584 0.015 0.000 1.188 36 A CA 0.289 52.334 52.037 0.013 0.000 0.675 36 A CB -0.381 18.626 19.000 0.011 0.000 0.845 36 A HN 0.284 nan 8.150 nan 0.000 0.455 37 L N -0.228 121.002 121.223 0.011 0.000 2.083 37 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 37 L C 2.549 179.428 176.870 0.014 0.000 1.083 37 L CA 1.391 56.237 54.840 0.011 0.000 0.752 37 L CB -0.241 41.820 42.059 0.004 0.000 0.899 37 L HN 0.343 nan 8.230 nan 0.000 0.433 38 K N -0.428 119.979 120.400 0.013 0.000 2.032 38 K HA -0.167 4.152 4.320 -0.001 0.000 0.209 38 K C 2.064 178.676 176.600 0.020 0.000 1.048 38 K CA 1.390 57.686 56.287 0.015 0.000 0.927 38 K CB -0.533 31.975 32.500 0.013 0.000 0.712 38 K HN 0.442 nan 8.250 nan 0.000 0.441 39 G N 1.455 110.268 108.800 0.022 0.000 2.476 39 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.218 39 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.218 39 G C 1.402 176.321 174.900 0.032 0.000 1.164 39 G CA 0.772 45.889 45.100 0.027 0.000 0.768 39 G HN 0.083 nan 8.290 nan 0.000 0.560 40 L N 0.440 121.681 121.223 0.031 0.000 2.083 40 L HA 0.089 4.429 4.340 -0.001 0.000 0.209 40 L C 2.807 179.698 176.870 0.035 0.000 1.083 40 L CA 0.932 55.793 54.840 0.035 0.000 0.752 40 L CB -0.468 41.612 42.059 0.034 0.000 0.899 40 L HN 0.228 nan 8.230 nan 0.000 0.433 41 I N -1.199 119.390 120.570 0.031 0.000 2.179 41 I HA -0.345 3.824 4.170 -0.001 0.000 0.242 41 I C 2.433 178.571 176.117 0.035 0.000 1.088 41 I CA 1.294 62.613 61.300 0.032 0.000 1.357 41 I CB -0.223 37.793 38.000 0.027 0.000 1.051 41 I HN 0.354 nan 8.210 nan 0.000 0.409 42 Q N -0.259 119.560 119.800 0.032 0.000 2.230 42 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 42 Q C 2.323 178.342 176.000 0.032 0.000 0.963 42 Q CA 1.269 57.090 55.803 0.031 0.000 0.866 42 Q CB 0.052 28.806 28.738 0.026 0.000 0.931 42 Q HN 0.385 nan 8.270 nan 0.000 0.452 43 S N -1.210 114.511 115.700 0.035 0.000 2.436 43 S HA 0.023 4.492 4.470 -0.001 0.000 0.228 43 S C 1.232 175.853 174.600 0.036 0.000 1.014 43 S CA 1.025 59.247 58.200 0.037 0.000 0.950 43 S CB 0.407 63.635 63.200 0.046 0.000 0.784 43 S HN 0.643 nan 8.310 nan 0.000 0.504 44 G N 0.480 109.303 108.800 0.039 0.000 2.559 44 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.202 44 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.202 44 G C 0.060 174.985 174.900 0.043 0.000 0.992 44 G CA -0.285 44.839 45.100 0.040 0.000 0.764 44 G HN 0.358 nan 8.290 nan 0.000 0.525 45 M N 1.851 121.477 119.600 0.043 0.000 2.252 45 M HA 0.457 4.936 4.480 -0.001 0.000 0.348 45 M C 1.047 177.374 176.300 0.046 0.000 1.334 45 M CA 0.845 56.172 55.300 0.045 0.000 1.071 45 M CB 0.923 33.550 32.600 0.044 0.000 1.763 45 M HN 0.005 nan 8.290 nan 0.000 0.452 46 S N 3.360 119.090 115.700 0.050 0.000 2.506 46 S HA 0.214 4.683 4.470 -0.001 0.000 0.230 46 S C 0.076 174.706 174.600 0.049 0.000 1.066 46 S CA -0.218 58.012 58.200 0.051 0.000 0.940 46 S CB 0.578 63.810 63.200 0.054 0.000 0.818 46 S HN 0.650 nan 8.310 nan 0.000 0.518 47 V N 1.490 121.440 119.914 0.061 0.000 2.735 47 V HA 0.788 4.908 4.120 -0.001 0.000 0.310 47 V C -0.691 175.442 176.094 0.066 0.000 1.061 47 V CA -1.087 61.251 62.300 0.063 0.000 0.913 47 V CB 1.595 33.480 31.823 0.102 0.000 1.005 47 V HN 0.320 nan 8.190 nan 0.000 0.428 48 A N 4.349 127.194 122.820 0.042 0.000 2.260 48 A HA 0.751 5.070 4.320 -0.001 0.000 0.314 48 A C -0.121 177.488 177.584 0.042 0.000 1.257 48 A CA -0.554 51.509 52.037 0.044 0.000 0.871 48 A CB 0.515 19.529 19.000 0.023 0.000 1.166 48 A HN 0.840 nan 8.150 nan 0.000 0.522 49 R N 3.236 123.789 120.500 0.088 0.000 2.346 49 R HA 0.626 4.965 4.340 -0.001 0.000 0.311 49 R C -1.013 175.349 176.300 0.103 0.000 0.983 49 R CA -0.380 55.787 56.100 0.112 0.000 0.880 49 R CB 0.700 31.144 30.300 0.240 0.000 1.100 49 R HN 0.771 nan 8.270 nan 0.000 0.453 50 M N 3.582 123.235 119.600 0.088 0.000 2.149 50 M HA 0.227 4.706 4.480 -0.001 0.000 0.342 50 M C -0.383 175.999 176.300 0.137 0.000 1.068 50 M CA -0.834 54.521 55.300 0.092 0.000 0.991 50 M CB 1.633 34.254 32.600 0.035 0.000 1.596 50 M HN 0.423 nan 8.290 nan 0.000 0.439 51 N N 2.274 121.079 118.700 0.174 0.000 2.437 51 N HA 0.213 4.952 4.740 -0.001 0.000 0.243 51 N C -0.574 175.059 175.510 0.206 0.000 1.041 51 N CA -0.122 53.069 53.050 0.234 0.000 0.940 51 N CB 0.295 38.947 38.487 0.275 0.000 1.133 51 N HN 0.513 nan 8.380 nan 0.000 0.506 52 F N 1.168 121.123 119.950 0.008 0.000 2.804 52 F HA 0.093 4.619 4.527 -0.001 0.000 0.303 52 F C 1.843 177.710 175.800 0.111 0.000 1.154 52 F CA 0.187 58.203 58.000 0.027 0.000 1.401 52 F CB 0.145 39.088 39.000 -0.094 0.000 1.106 52 F HN 0.457 nan 8.300 nan 0.000 0.568 53 S N -1.786 114.027 115.700 0.189 0.000 2.561 53 S HA 0.010 4.479 4.470 -0.001 0.000 0.225 53 S C -0.085 174.304 174.600 -0.352 0.000 0.977 53 S CA 0.421 58.595 58.200 -0.042 0.000 0.926 53 S CB -0.386 62.775 63.200 -0.064 0.000 0.769 53 S HN 0.370 nan 8.310 nan 0.000 0.533 54 H N -0.669 118.498 119.070 0.161 0.000 2.930 54 H HA 0.581 5.136 4.556 -0.001 0.000 0.371 54 H C 0.323 175.674 175.328 0.039 0.000 1.169 54 H CA 0.045 56.142 56.048 0.082 0.000 1.157 54 H CB 1.427 31.221 29.762 0.054 0.000 1.789 54 H HN 0.235 nan 8.280 nan 0.000 0.547 55 G N 0.820 109.627 108.800 0.011 0.000 2.755 55 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.686 55 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.686 55 G C -0.081 174.731 174.900 -0.146 0.000 1.427 55 G CA -0.366 44.604 45.100 -0.216 0.000 0.873 55 G HN 0.936 nan 8.290 nan 0.000 0.580 56 S N -0.461 115.162 115.700 -0.129 0.000 2.669 56 S HA 0.502 4.971 4.470 -0.001 0.000 0.270 56 S C 1.157 175.758 174.600 0.002 0.000 1.225 56 S CA 0.236 58.430 58.200 -0.009 0.000 0.991 56 S CB 1.215 64.413 63.200 -0.004 0.000 0.987 56 S HN 0.733 nan 8.310 nan 0.000 0.552 57 H N -0.155 118.831 119.070 -0.140 0.000 2.489 57 H HA -0.084 4.472 4.556 -0.001 0.000 0.293 57 H C 1.972 177.210 175.328 -0.149 0.000 1.066 57 H CA 1.617 57.469 56.048 -0.326 0.000 1.305 57 H CB 0.190 29.665 29.762 -0.479 0.000 1.386 57 H HN 0.834 nan 8.280 nan 0.000 0.551 58 E N 0.403 120.644 120.200 0.069 0.000 2.152 58 E HA -0.181 4.168 4.350 -0.001 0.000 0.192 58 E C 1.841 178.486 176.600 0.074 0.000 0.983 58 E CA 0.519 56.969 56.400 0.082 0.000 0.818 58 E CB 0.026 29.765 29.700 0.066 0.000 0.758 58 E HN 0.397 nan 8.360 nan 0.000 0.467 59 Y N 0.668 120.880 120.300 -0.146 0.000 2.153 59 Y HA -0.179 4.370 4.550 -0.001 0.000 0.289 59 Y C 2.126 177.902 175.900 -0.207 0.000 1.127 59 Y CA 1.918 59.884 58.100 -0.224 0.000 1.131 59 Y CB -0.330 37.902 38.460 -0.380 0.000 0.995 59 Y HN 0.175 nan 8.280 nan 0.000 0.505 60 H N -0.488 118.471 119.070 -0.186 0.000 2.456 60 H HA -0.131 4.425 4.556 -0.001 0.000 0.296 60 H C 2.030 177.356 175.328 -0.003 0.000 1.079 60 H CA 1.498 57.404 56.048 -0.237 0.000 1.322 60 H CB -0.225 29.309 29.762 -0.379 0.000 1.388 60 H HN 0.382 nan 8.280 nan 0.000 0.538 61 Q N 0.971 120.896 119.800 0.210 0.000 2.061 61 Q HA -0.112 4.227 4.340 -0.001 0.000 0.204 61 Q C 2.097 178.142 176.000 0.074 0.000 0.984 61 Q CA 2.441 58.387 55.803 0.238 0.000 0.846 61 Q CB -0.423 28.468 28.738 0.254 0.000 0.902 61 Q HN 0.426 nan 8.270 nan 0.000 0.421 62 T N -0.560 113.987 114.554 -0.012 0.000 2.720 62 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 62 T C 1.847 176.492 174.700 -0.092 0.000 1.037 62 T CA 1.706 63.772 62.100 -0.056 0.000 1.144 62 T CB -0.850 67.969 68.868 -0.082 0.000 0.864 62 T HN 0.338 nan 8.240 nan 0.000 0.444 63 T N 2.245 116.698 114.554 -0.168 0.000 2.635 63 T HA -0.069 4.280 4.350 -0.001 0.000 0.267 63 T C 1.986 176.662 174.700 -0.040 0.000 1.040 63 T CA 1.351 63.372 62.100 -0.132 0.000 1.156 63 T CB -0.573 68.206 68.868 -0.149 0.000 0.863 63 T HN 0.332 nan 8.240 nan 0.000 0.430 64 I N 1.490 122.064 120.570 0.007 0.000 2.163 64 I HA -0.217 3.952 4.170 -0.001 0.000 0.243 64 I C 2.359 178.472 176.117 -0.007 0.000 1.085 64 I CA 1.126 62.434 61.300 0.012 0.000 1.347 64 I CB -0.384 37.637 38.000 0.035 0.000 1.044 64 I HN 0.181 nan 8.210 nan 0.000 0.408 65 N N 0.782 119.480 118.700 -0.003 0.000 2.309 65 N HA -0.133 4.606 4.740 -0.001 0.000 0.182 65 N C 1.450 176.952 175.510 -0.015 0.000 1.018 65 N CA 1.061 54.106 53.050 -0.008 0.000 0.876 65 N CB -0.431 38.057 38.487 0.002 0.000 0.972 65 N HN 0.395 nan 8.380 nan 0.000 0.434 66 N N -0.215 118.473 118.700 -0.021 0.000 2.402 66 N HA 0.043 4.782 4.740 -0.001 0.000 0.174 66 N C 1.817 177.317 175.510 -0.018 0.000 1.027 66 N CA 0.159 53.197 53.050 -0.020 0.000 0.891 66 N CB -0.228 38.244 38.487 -0.026 0.000 1.016 66 N HN -0.065 nan 8.380 nan 0.000 0.439 67 V N 1.623 121.525 119.914 -0.019 0.000 2.287 67 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 67 V C 2.301 178.385 176.094 -0.017 0.000 1.053 67 V CA 1.664 63.956 62.300 -0.014 0.000 1.027 67 V CB -0.329 31.486 31.823 -0.012 0.000 0.646 67 V HN 0.252 nan 8.190 nan 0.000 0.447 68 R N -0.689 119.798 120.500 -0.022 0.000 2.096 68 R HA -0.203 4.137 4.340 -0.001 0.000 0.235 68 R C 2.446 178.730 176.300 -0.025 0.000 1.127 68 R CA 1.725 57.808 56.100 -0.029 0.000 0.968 68 R CB -0.313 29.966 30.300 -0.035 0.000 0.861 68 R HN 0.596 nan 8.270 nan 0.000 0.440 69 Q N 0.120 119.908 119.800 -0.019 0.000 2.046 69 Q HA -0.132 4.207 4.340 -0.001 0.000 0.200 69 Q C 1.992 177.986 176.000 -0.011 0.000 0.975 69 Q CA 1.647 57.441 55.803 -0.015 0.000 0.836 69 Q CB -0.051 28.680 28.738 -0.012 0.000 0.896 69 Q HN 0.379 nan 8.270 nan 0.000 0.428 70 A N 0.441 123.256 122.820 -0.009 0.000 1.969 70 A HA -0.066 4.253 4.320 -0.001 0.000 0.218 70 A C 2.173 179.756 177.584 -0.003 0.000 1.169 70 A CA 1.456 53.491 52.037 -0.003 0.000 0.635 70 A CB -0.699 18.301 19.000 -0.000 0.000 0.810 70 A HN 0.534 nan 8.150 nan 0.000 0.445 71 A N -0.003 122.813 122.820 -0.008 0.000 1.873 71 A HA 0.206 4.525 4.320 -0.001 0.000 0.215 71 A C 2.508 180.085 177.584 -0.012 0.000 1.186 71 A CA 1.909 53.941 52.037 -0.009 0.000 0.616 71 A CB -1.052 17.937 19.000 -0.018 0.000 0.823 71 A HN 1.025 nan 8.150 nan 0.000 0.442 72 A N -0.278 122.530 122.820 -0.019 0.000 1.933 72 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 72 A C 1.890 179.468 177.584 -0.010 0.000 1.175 72 A CA 1.656 53.680 52.037 -0.021 0.000 0.628 72 A CB -0.505 18.479 19.000 -0.027 0.000 0.814 72 A HN 0.642 nan 8.150 nan 0.000 0.444 73 E N -0.752 119.445 120.200 -0.006 0.000 2.208 73 E HA -0.020 4.330 4.350 -0.001 0.000 0.193 73 E C 1.492 178.095 176.600 0.005 0.000 0.988 73 E CA 0.681 57.081 56.400 -0.000 0.000 0.828 73 E CB -0.086 29.613 29.700 0.000 0.000 0.763 73 E HN 0.607 nan 8.360 nan 0.000 0.478 74 L N -0.988 120.239 121.223 0.007 0.000 2.554 74 L HA 0.192 4.531 4.340 -0.001 0.000 0.225 74 L C 1.094 177.976 176.870 0.020 0.000 1.104 74 L CA 0.254 55.103 54.840 0.014 0.000 0.866 74 L CB 0.579 42.648 42.059 0.017 0.000 1.047 74 L HN 0.226 nan 8.230 nan 0.000 0.468 75 G N 1.159 109.967 108.800 0.014 0.000 2.171 75 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.238 75 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.238 75 G C -0.028 174.890 174.900 0.030 0.000 1.039 75 G CA 0.222 45.334 45.100 0.021 0.000 0.759 75 G HN 0.240 nan 8.290 nan 0.000 0.501 76 V N -3.420 116.506 119.914 0.020 0.000 3.001 76 V HA 0.804 4.923 4.120 -0.001 0.000 0.314 76 V C -0.193 175.900 176.094 -0.003 0.000 1.099 76 V CA -1.909 60.406 62.300 0.025 0.000 0.989 76 V CB 2.068 33.916 31.823 0.042 0.000 1.040 76 V HN 0.184 nan 8.190 nan 0.000 0.434 77 N N 3.199 121.895 118.700 -0.006 0.000 2.414 77 N HA 0.485 5.224 4.740 -0.001 0.000 0.256 77 N C -1.041 174.463 175.510 -0.010 0.000 1.029 77 N CA -0.259 52.774 53.050 -0.029 0.000 0.948 77 N CB 1.584 40.045 38.487 -0.042 0.000 1.102 77 N HN 0.565 nan 8.380 nan 0.000 0.496 78 I N 1.324 121.885 120.570 -0.015 0.000 2.406 78 I HA 0.354 4.523 4.170 -0.001 0.000 0.290 78 I C 0.582 176.691 176.117 -0.015 0.000 0.999 78 I CA -1.294 60.004 61.300 -0.003 0.000 1.124 78 I CB 0.940 38.941 38.000 0.002 0.000 1.289 78 I HN 0.358 nan 8.210 nan 0.000 0.441 79 A N 7.403 130.219 122.820 -0.007 0.000 2.322 79 A HA 0.767 5.086 4.320 -0.001 0.000 0.269 79 A C -0.199 177.366 177.584 -0.032 0.000 1.094 79 A CA -0.249 51.775 52.037 -0.022 0.000 0.807 79 A CB 0.412 19.405 19.000 -0.012 0.000 1.047 79 A HN 0.630 nan 8.150 nan 0.000 0.487 80 I N 0.889 121.423 120.570 -0.061 0.000 2.465 80 I HA 0.569 4.738 4.170 -0.001 0.000 0.291 80 I C 0.312 176.341 176.117 -0.147 0.000 1.014 80 I CA -0.148 61.108 61.300 -0.073 0.000 1.093 80 I CB 2.061 40.027 38.000 -0.057 0.000 1.267 80 I HN 0.672 nan 8.210 nan 0.000 0.431 81 A N 6.712 129.409 122.820 -0.205 0.000 2.355 81 A HA 0.781 5.100 4.320 -0.001 0.000 0.317 81 A C -1.150 176.246 177.584 -0.313 0.000 1.094 81 A CA -0.548 51.225 52.037 -0.440 0.000 0.764 81 A CB 1.358 19.784 19.000 -0.956 0.000 1.230 81 A HN 0.742 nan 8.150 nan 0.000 0.448 82 L N 2.070 123.102 121.223 -0.318 0.000 2.289 82 L HA 0.419 4.758 4.340 -0.001 0.000 0.285 82 L C -0.697 176.083 176.870 -0.150 0.000 1.049 82 L CA -0.420 54.306 54.840 -0.190 0.000 0.804 82 L CB 1.031 42.902 42.059 -0.313 0.000 1.195 82 L HN 0.733 nan 8.230 nan 0.000 0.428 83 D N 3.823 124.256 120.400 0.054 0.000 2.441 83 D HA 0.152 4.792 4.640 -0.001 0.000 0.231 83 D C -0.242 176.154 176.300 0.160 0.000 1.073 83 D CA -0.283 53.823 54.000 0.177 0.000 0.850 83 D CB 1.344 42.316 40.800 0.286 0.000 1.062 83 D HN 0.625 nan 8.370 nan 0.000 0.524 84 T N 1.076 115.695 114.554 0.109 0.000 2.855 84 T HA 0.073 4.422 4.350 -0.001 0.000 0.314 84 T C 1.255 176.048 174.700 0.155 0.000 1.077 84 T CA -0.146 62.009 62.100 0.091 0.000 1.095 84 T CB 2.101 71.011 68.868 0.070 0.000 0.987 84 T HN 0.370 nan 8.240 nan 0.000 0.546 85 K N 1.468 121.956 120.400 0.147 0.000 1.991 85 K HA 0.350 4.670 4.320 -0.001 0.000 0.208 85 K C 1.354 178.043 176.600 0.148 0.000 1.038 85 K CA 1.127 57.501 56.287 0.145 0.000 0.943 85 K CB -0.955 31.616 32.500 0.117 0.000 0.736 85 K HN 1.144 nan 8.250 nan 0.000 0.440 86 G N -0.136 108.730 108.800 0.110 0.000 2.642 86 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.231 86 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.231 86 G C -2.333 172.566 174.900 -0.003 0.000 1.338 86 G CA -0.272 44.883 45.100 0.092 0.000 0.883 86 G HN 0.234 nan 8.290 nan 0.000 0.570 87 P HA 0.208 nan 4.420 nan 0.000 0.251 87 P C -0.181 176.829 177.300 -0.483 0.000 1.624 87 P CA 0.797 63.741 63.100 -0.259 0.000 0.907 87 P CB -0.176 31.341 31.700 -0.304 0.000 1.867 88 E N 1.355 121.400 120.200 -0.259 0.000 2.046 88 E HA 0.213 4.562 4.350 -0.001 0.000 0.279 88 E C -0.360 176.173 176.600 -0.113 0.000 0.989 88 E CA -0.656 55.623 56.400 -0.201 0.000 0.798 88 E CB 0.208 29.904 29.700 -0.008 0.000 1.086 88 E HN 0.206 nan 8.360 nan 0.000 0.399 89 I N 4.588 125.076 120.570 -0.137 0.000 2.474 89 I HA 0.320 4.489 4.170 -0.001 0.000 0.287 89 I C 0.600 176.711 176.117 -0.010 0.000 1.048 89 I CA -0.486 60.776 61.300 -0.063 0.000 1.383 89 I CB 0.742 38.685 38.000 -0.095 0.000 1.412 89 I HN 0.363 nan 8.210 nan 0.000 0.531 90 R N 3.100 123.597 120.500 -0.005 0.000 2.795 90 R HA 0.488 4.828 4.340 -0.001 0.000 0.275 90 R C -0.441 175.850 176.300 -0.016 0.000 0.981 90 R CA -0.689 55.420 56.100 0.015 0.000 0.917 90 R CB 2.348 32.661 30.300 0.021 0.000 1.202 90 R HN 0.759 nan 8.270 nan 0.000 0.469 91 T N -1.599 112.978 114.554 0.038 0.000 2.824 91 T HA 0.490 4.839 4.350 -0.001 0.000 0.277 91 T C 0.928 175.621 174.700 -0.012 0.000 0.975 91 T CA -0.512 61.613 62.100 0.042 0.000 0.966 91 T CB 1.315 70.250 68.868 0.111 0.000 1.054 91 T HN 0.561 nan 8.240 nan 0.000 0.533 92 G N -0.432 108.356 108.800 -0.021 0.000 2.494 92 G HA2 0.456 4.415 3.960 -0.001 0.000 0.270 92 G HA3 0.456 4.415 3.960 -0.001 0.000 0.270 92 G C -0.550 174.247 174.900 -0.172 0.000 1.423 92 G CA -0.816 44.315 45.100 0.052 0.000 1.055 92 G HN 0.817 nan 8.290 nan 0.000 0.536 93 Q N -1.165 118.550 119.800 -0.143 0.000 2.214 93 Q HA 0.493 4.832 4.340 -0.001 0.000 0.251 93 Q C -1.407 174.400 176.000 -0.321 0.000 0.936 93 Q CA -0.241 55.474 55.803 -0.147 0.000 0.894 93 Q CB 1.955 30.688 28.738 -0.008 0.000 1.252 93 Q HN 0.355 nan 8.270 nan 0.000 0.448 94 F N 0.076 120.054 119.950 0.046 0.000 2.469 94 F HA 0.277 4.803 4.527 -0.001 0.000 0.332 94 F C 0.067 175.892 175.800 0.041 0.000 1.103 94 F CA -1.028 56.996 58.000 0.041 0.000 0.979 94 F CB 1.296 40.289 39.000 -0.012 0.000 1.137 94 F HN 0.213 nan 8.300 nan 0.000 0.463 95 V N 4.355 124.411 119.914 0.237 0.000 2.475 95 V HA 0.349 4.468 4.120 -0.001 0.000 0.292 95 V C 0.779 176.950 176.094 0.127 0.000 1.003 95 V CA 1.611 63.999 62.300 0.147 0.000 1.120 95 V CB 0.063 31.961 31.823 0.126 0.000 0.937 95 V HN 1.061 nan 8.190 nan 0.000 0.476 96 G N 4.324 113.177 108.800 0.089 0.000 2.234 96 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.235 96 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.235 96 G C 1.451 176.385 174.900 0.057 0.000 0.997 96 G CA 0.493 45.629 45.100 0.060 0.000 0.623 96 G HN 2.403 nan 8.290 nan 0.000 0.514 97 G N -0.250 108.607 108.800 0.095 0.000 2.159 97 G HA2 0.236 4.195 3.960 -0.001 0.000 0.227 97 G HA3 0.236 4.195 3.960 -0.001 0.000 0.227 97 G C -0.143 174.800 174.900 0.072 0.000 0.986 97 G CA 1.138 46.293 45.100 0.091 0.000 0.651 97 G HN 2.190 nan 8.290 nan 0.000 0.523 98 D N -1.254 119.167 120.400 0.035 0.000 2.671 98 D HA 0.737 5.376 4.640 -0.001 0.000 0.273 98 D C -0.561 175.550 176.300 -0.315 0.000 1.264 98 D CA -0.027 53.892 54.000 -0.135 0.000 0.788 98 D CB 1.156 41.879 40.800 -0.128 0.000 1.324 98 D HN 1.335 nan 8.370 nan 0.000 0.424 99 A N 0.338 122.802 122.820 -0.593 0.000 2.429 99 A HA 0.533 4.852 4.320 -0.001 0.000 0.289 99 A C -1.078 176.265 177.584 -0.402 0.000 1.043 99 A CA -0.746 50.944 52.037 -0.580 0.000 0.722 99 A CB 1.597 19.938 19.000 -1.099 0.000 1.243 99 A HN 0.414 nan 8.150 nan 0.000 0.415 100 V N 4.628 124.404 119.914 -0.229 0.000 2.299 100 V HA 0.217 4.336 4.120 -0.001 0.000 0.255 100 V C 0.096 176.123 176.094 -0.112 0.000 1.100 100 V CA -0.361 61.840 62.300 -0.166 0.000 0.938 100 V CB 0.015 31.770 31.823 -0.112 0.000 1.139 100 V HN 0.823 nan 8.190 nan 0.000 0.490 101 M N 3.337 122.872 119.600 -0.109 0.000 2.242 101 M HA 0.442 4.921 4.480 -0.001 0.000 0.344 101 M C 0.179 176.472 176.300 -0.012 0.000 1.140 101 M CA 0.230 55.506 55.300 -0.039 0.000 1.160 101 M CB 0.140 32.733 32.600 -0.013 0.000 1.491 101 M HN 0.545 nan 8.290 nan 0.000 0.459 102 E N 0.881 121.081 120.200 0.001 0.000 2.238 102 E HA 0.332 4.681 4.350 -0.001 0.000 0.267 102 E C -0.674 175.929 176.600 0.005 0.000 0.887 102 E CA -0.839 55.562 56.400 0.002 0.000 0.769 102 E CB 2.383 32.083 29.700 -0.001 0.000 1.187 102 E HN 0.436 nan 8.360 nan 0.000 0.416 103 R N 1.283 121.786 120.500 0.006 0.000 2.474 103 R HA 0.069 4.408 4.340 -0.001 0.000 0.339 103 R C 0.533 176.832 176.300 -0.002 0.000 1.033 103 R CA 1.307 57.409 56.100 0.003 0.000 0.997 103 R CB -0.640 29.662 30.300 0.004 0.000 0.963 103 R HN 0.882 nan 8.270 nan 0.000 0.438 104 G N 1.980 110.776 108.800 -0.006 0.000 2.211 104 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.201 104 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.201 104 G C 0.081 174.970 174.900 -0.017 0.000 0.997 104 G CA -0.158 44.935 45.100 -0.012 0.000 0.652 104 G HN 0.839 nan 8.290 nan 0.000 0.500 105 A N 0.091 122.902 122.820 -0.014 0.000 2.346 105 A HA 0.679 4.998 4.320 -0.001 0.000 0.252 105 A C 0.636 178.191 177.584 -0.048 0.000 1.089 105 A CA 1.220 53.247 52.037 -0.016 0.000 0.797 105 A CB 0.381 19.382 19.000 0.001 0.000 1.047 105 A HN 0.911 nan 8.150 nan 0.000 0.494 106 T N 1.223 115.735 114.554 -0.070 0.000 3.241 106 T HA 0.386 4.736 4.350 -0.001 0.000 0.387 106 T C 0.092 174.612 174.700 -0.301 0.000 1.451 106 T CA -0.295 61.696 62.100 -0.182 0.000 1.363 106 T CB -0.863 67.898 68.868 -0.179 0.000 1.074 106 T HN 0.937 nan 8.240 nan 0.000 0.598 107 C N 0.936 120.096 119.300 -0.233 0.000 2.563 107 C HA 0.706 5.165 4.460 -0.001 0.000 0.358 107 C C -0.384 174.311 174.990 -0.492 0.000 1.336 107 C CA -1.055 57.857 59.018 -0.176 0.000 2.454 107 C CB -0.648 27.130 27.740 0.063 0.000 2.448 107 C HN 0.704 nan 8.230 nan 0.000 0.670 108 Y N 0.738 120.947 120.300 -0.153 0.000 2.426 108 Y HA 0.479 5.028 4.550 -0.001 0.000 0.325 108 Y C 0.442 176.091 175.900 -0.418 0.000 0.989 108 Y CA -0.721 57.237 58.100 -0.236 0.000 1.284 108 Y CB 1.110 39.455 38.460 -0.193 0.000 1.104 108 Y HN 0.800 nan 8.280 nan 0.000 0.481 109 V N 0.198 119.896 119.914 -0.360 0.000 2.649 109 V HA 0.765 4.884 4.120 -0.001 0.000 0.292 109 V C -0.000 175.954 176.094 -0.232 0.000 1.055 109 V CA -0.005 62.003 62.300 -0.486 0.000 1.023 109 V CB 1.501 33.065 31.823 -0.432 0.000 0.992 109 V HN 0.714 nan 8.190 nan 0.000 0.480 110 T N 1.834 116.278 114.554 -0.184 0.000 2.883 110 T HA 0.533 4.882 4.350 -0.001 0.000 0.301 110 T C 0.815 175.565 174.700 0.084 0.000 1.158 110 T CA 0.250 62.321 62.100 -0.048 0.000 1.007 110 T CB 1.948 70.757 68.868 -0.098 0.000 1.186 110 T HN 1.181 nan 8.240 nan 0.000 0.499 111 T N -0.586 114.042 114.554 0.124 0.000 3.057 111 T HA 0.169 4.519 4.350 -0.001 0.000 0.254 111 T C 0.579 175.472 174.700 0.322 0.000 1.094 111 T CA 0.169 62.389 62.100 0.200 0.000 1.088 111 T CB -0.194 68.725 68.868 0.085 0.000 0.934 111 T HN 0.505 nan 8.240 nan 0.000 0.497 112 D N 3.873 124.418 120.400 0.242 0.000 2.368 112 D HA 0.133 4.772 4.640 -0.001 0.000 0.268 112 D C -1.832 174.512 176.300 0.073 0.000 1.298 112 D CA -2.097 52.013 54.000 0.183 0.000 0.938 112 D CB 1.342 42.298 40.800 0.259 0.000 1.101 112 D HN 0.145 nan 8.370 nan 0.000 0.509 113 P HA 0.022 nan 4.420 nan 0.000 0.239 113 P C 0.546 177.623 177.300 -0.372 0.000 1.184 113 P CA 0.360 63.119 63.100 -0.568 0.000 0.760 113 P CB 0.270 31.759 31.700 -0.351 0.000 0.884 114 A N -0.868 121.835 122.820 -0.195 0.000 1.897 114 A HA -0.100 4.219 4.320 -0.001 0.000 0.215 114 A C 1.640 179.065 177.584 -0.265 0.000 1.181 114 A CA 1.053 52.946 52.037 -0.240 0.000 0.620 114 A CB -1.581 17.244 19.000 -0.290 0.000 0.821 114 A HN 0.120 nan 8.150 nan 0.000 0.443 115 F N 0.438 120.325 119.950 -0.104 0.000 2.699 115 F HA 0.070 4.597 4.527 -0.001 0.000 0.298 115 F C 2.492 178.269 175.800 -0.039 0.000 1.154 115 F CA 0.271 58.252 58.000 -0.032 0.000 1.457 115 F CB -0.313 38.713 39.000 0.042 0.000 1.106 115 F HN 0.276 nan 8.300 nan 0.000 0.585 116 A N 0.658 123.452 122.820 -0.043 0.000 1.870 116 A HA -0.312 4.008 4.320 -0.001 0.000 0.219 116 A C 1.824 179.426 177.584 0.030 0.000 1.224 116 A CA 2.599 54.601 52.037 -0.058 0.000 0.650 116 A CB -1.004 17.773 19.000 -0.372 0.000 0.836 116 A HN 0.300 nan 8.150 nan 0.000 0.454 117 D N -0.636 119.752 120.400 -0.020 0.000 2.347 117 D HA 0.015 4.654 4.640 -0.001 0.000 0.215 117 D C 0.823 177.133 176.300 0.018 0.000 0.976 117 D CA 1.207 55.203 54.000 -0.006 0.000 0.884 117 D CB 0.035 40.822 40.800 -0.022 0.000 0.915 117 D HN 0.762 nan 8.370 nan 0.000 0.526 118 K N -0.204 120.225 120.400 0.049 0.000 3.205 118 K HA 0.460 4.779 4.320 -0.001 0.000 0.202 118 K C 0.390 177.108 176.600 0.197 0.000 1.160 118 K CA -0.674 55.674 56.287 0.102 0.000 0.995 118 K CB 0.899 33.442 32.500 0.070 0.000 1.041 118 K HN -0.148 nan 8.250 nan 0.000 0.507 119 G N 1.242 110.110 108.800 0.113 0.000 2.406 119 G HA2 0.272 4.231 3.960 -0.001 0.000 0.251 119 G HA3 0.272 4.231 3.960 -0.001 0.000 0.251 119 G C -0.106 175.045 174.900 0.418 0.000 1.271 119 G CA -0.120 45.070 45.100 0.150 0.000 0.859 119 G HN 0.429 nan 8.290 nan 0.000 0.540 120 T N -1.266 113.586 114.554 0.496 0.000 2.930 120 T HA 0.409 4.758 4.350 -0.001 0.000 0.290 120 T C 1.178 176.140 174.700 0.436 0.000 1.052 120 T CA -0.797 61.556 62.100 0.421 0.000 1.017 120 T CB 1.902 70.934 68.868 0.273 0.000 1.137 120 T HN 0.595 nan 8.240 nan 0.000 0.511 121 K N -0.024 120.510 120.400 0.223 0.000 2.589 121 K HA -0.086 4.233 4.320 -0.001 0.000 0.195 121 K C -0.142 176.579 176.600 0.203 0.000 1.040 121 K CA 1.191 57.556 56.287 0.129 0.000 0.950 121 K CB -0.169 32.348 32.500 0.028 0.000 0.781 121 K HN 0.485 nan 8.250 nan 0.000 0.486 122 D N 0.286 120.841 120.400 0.259 0.000 2.489 122 D HA 0.083 4.722 4.640 -0.001 0.000 0.231 122 D C -0.475 175.996 176.300 0.285 0.000 1.114 122 D CA 0.307 54.453 54.000 0.244 0.000 0.842 122 D CB 0.824 41.746 40.800 0.204 0.000 1.133 122 D HN 0.224 nan 8.370 nan 0.000 0.506 123 K N 0.868 121.448 120.400 0.299 0.000 2.582 123 K HA 0.303 4.622 4.320 -0.001 0.000 0.259 123 K C -1.847 174.890 176.600 0.228 0.000 0.973 123 K CA -0.563 55.801 56.287 0.127 0.000 0.880 123 K CB 0.880 33.339 32.500 -0.068 0.000 1.310 123 K HN -0.117 nan 8.250 nan 0.000 0.443 124 F N 1.103 121.085 119.950 0.054 0.000 2.664 124 F HA 0.574 5.100 4.527 -0.001 0.000 0.317 124 F C -1.535 174.295 175.800 0.051 0.000 1.108 124 F CA -1.383 56.637 58.000 0.033 0.000 0.957 124 F CB 0.609 39.600 39.000 -0.015 0.000 1.365 124 F HN 0.366 nan 8.300 nan 0.000 0.475 125 Y N 2.285 122.676 120.300 0.152 0.000 2.330 125 Y HA 0.758 5.308 4.550 -0.001 0.000 0.336 125 Y C -1.317 174.665 175.900 0.138 0.000 1.036 125 Y CA -1.528 56.627 58.100 0.090 0.000 1.125 125 Y CB 1.068 39.596 38.460 0.112 0.000 1.194 125 Y HN 0.619 nan 8.280 nan 0.000 0.469 126 I N 6.602 126.883 120.570 -0.482 0.000 2.389 126 I HA 0.176 4.345 4.170 -0.001 0.000 0.288 126 I C 0.031 175.737 176.117 -0.684 0.000 0.999 126 I CA -0.689 60.329 61.300 -0.469 0.000 1.129 126 I CB 1.789 39.724 38.000 -0.108 0.000 1.288 126 I HN 0.764 nan 8.210 nan 0.000 0.444 127 D N 4.842 124.854 120.400 -0.647 0.000 2.371 127 D HA -0.237 4.402 4.640 -0.001 0.000 0.221 127 D C 0.618 176.913 176.300 -0.009 0.000 0.986 127 D CA 0.457 54.251 54.000 -0.342 0.000 0.899 127 D CB -0.122 40.618 40.800 -0.099 0.000 0.902 127 D HN 0.416 nan 8.370 nan 0.000 0.530 128 Y N 2.524 122.756 120.300 -0.113 0.000 2.573 128 Y HA 0.065 4.614 4.550 -0.001 0.000 0.346 128 Y C 1.356 177.248 175.900 -0.013 0.000 1.198 128 Y CA -0.399 57.673 58.100 -0.047 0.000 1.627 128 Y CB 0.095 38.526 38.460 -0.049 0.000 1.457 128 Y HN -0.181 nan 8.280 nan 0.000 0.483 129 Q N 2.662 122.319 119.800 -0.239 0.000 2.173 129 Q HA -0.305 4.034 4.340 -0.001 0.000 0.208 129 Q C 0.949 176.755 176.000 -0.323 0.000 0.989 129 Q CA 1.632 57.324 55.803 -0.185 0.000 0.872 129 Q CB -0.232 28.447 28.738 -0.100 0.000 0.909 129 Q HN 0.766 nan 8.270 nan 0.000 0.420 130 N N 0.619 118.905 118.700 -0.691 0.000 2.441 130 N HA -0.029 4.710 4.740 -0.001 0.000 0.225 130 N C 1.280 176.551 175.510 -0.397 0.000 1.208 130 N CA -0.315 52.404 53.050 -0.552 0.000 0.847 130 N CB 0.116 38.286 38.487 -0.529 0.000 1.121 130 N HN 0.061 nan 8.380 nan 0.000 0.479 131 L N 0.104 121.201 121.223 -0.210 0.000 2.017 131 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 131 L C 2.035 178.986 176.870 0.135 0.000 1.073 131 L CA 1.815 56.742 54.840 0.145 0.000 0.745 131 L CB -0.536 41.612 42.059 0.147 0.000 0.894 131 L HN 0.068 nan 8.230 nan 0.000 0.432 132 S N -0.772 114.975 115.700 0.078 0.000 2.447 132 S HA -0.099 4.370 4.470 -0.001 0.000 0.233 132 S C 1.790 176.439 174.600 0.081 0.000 1.006 132 S CA 0.901 59.178 58.200 0.129 0.000 0.957 132 S CB -0.210 63.030 63.200 0.066 0.000 0.773 132 S HN 0.452 nan 8.310 nan 0.000 0.507 133 K N 0.446 120.865 120.400 0.031 0.000 2.243 133 K HA 0.104 4.423 4.320 -0.001 0.000 0.201 133 K C 1.726 178.370 176.600 0.073 0.000 1.051 133 K CA 0.552 56.849 56.287 0.018 0.000 0.970 133 K CB 0.022 32.515 32.500 -0.012 0.000 0.755 133 K HN 0.196 nan 8.250 nan 0.000 0.465 134 V N 1.805 121.795 119.914 0.126 0.000 2.326 134 V HA -0.087 4.032 4.120 -0.001 0.000 0.238 134 V C 1.348 177.509 176.094 0.112 0.000 1.038 134 V CA 0.607 62.992 62.300 0.141 0.000 1.032 134 V CB -0.093 31.870 31.823 0.234 0.000 0.675 134 V HN 0.133 nan 8.190 nan 0.000 0.467 135 V N 0.087 120.076 119.914 0.124 0.000 3.096 135 V HA 0.349 4.468 4.120 -0.001 0.000 0.306 135 V C 0.035 176.175 176.094 0.077 0.000 1.088 135 V CA -0.323 62.023 62.300 0.077 0.000 1.129 135 V CB 0.317 32.171 31.823 0.051 0.000 1.014 135 V HN 0.463 nan 8.190 nan 0.000 0.486 136 R N 1.798 122.302 120.500 0.007 0.000 2.817 136 R HA 0.492 4.831 4.340 -0.001 0.000 0.268 136 R C -2.904 173.336 176.300 -0.099 0.000 1.027 136 R CA -2.109 53.985 56.100 -0.010 0.000 0.928 136 R CB 2.038 32.347 30.300 0.016 0.000 1.228 136 R HN 0.487 nan 8.270 nan 0.000 0.469 137 P HA 0.045 nan 4.420 nan 0.000 0.258 137 P C 0.228 177.452 177.300 -0.126 0.000 1.214 137 P CA 1.018 64.039 63.100 -0.132 0.000 0.872 137 P CB 0.155 31.801 31.700 -0.090 0.000 0.890 138 G N 2.333 111.025 108.800 -0.181 0.000 2.260 138 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.179 138 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.179 138 G C 0.178 174.865 174.900 -0.356 0.000 1.002 138 G CA -0.614 44.349 45.100 -0.228 0.000 0.677 138 G HN 0.514 nan 8.290 nan 0.000 0.486 139 N N -0.493 118.033 118.700 -0.291 0.000 2.493 139 N HA 0.609 5.348 4.740 -0.001 0.000 0.275 139 N C -0.894 174.396 175.510 -0.366 0.000 1.186 139 N CA -0.446 52.447 53.050 -0.262 0.000 0.978 139 N CB 0.608 39.044 38.487 -0.086 0.000 1.184 139 N HN 0.144 nan 8.380 nan 0.000 0.487 140 Y N 1.026 121.306 120.300 -0.032 0.000 2.330 140 Y HA 0.420 4.969 4.550 -0.001 0.000 0.336 140 Y C -0.014 175.827 175.900 -0.098 0.000 1.036 140 Y CA -0.518 57.511 58.100 -0.120 0.000 1.125 140 Y CB 0.854 39.213 38.460 -0.169 0.000 1.194 140 Y HN 0.234 nan 8.280 nan 0.000 0.469 141 I N 4.401 124.959 120.570 -0.021 0.000 2.339 141 I HA 0.236 4.405 4.170 -0.001 0.000 0.290 141 I C -1.048 175.018 176.117 -0.084 0.000 0.994 141 I CA -0.764 60.546 61.300 0.018 0.000 1.191 141 I CB 0.720 38.737 38.000 0.027 0.000 1.343 141 I HN 0.508 nan 8.210 nan 0.000 0.458 142 Y N 6.542 126.896 120.300 0.089 0.000 2.323 142 Y HA 0.520 5.069 4.550 -0.001 0.000 0.331 142 Y C 0.157 176.105 175.900 0.081 0.000 1.092 142 Y CA -0.615 57.529 58.100 0.072 0.000 1.150 142 Y CB 1.247 39.736 38.460 0.049 0.000 1.200 142 Y HN 0.247 nan 8.280 nan 0.000 0.472 143 I N 3.047 123.737 120.570 0.200 0.000 2.582 143 I HA 0.197 4.366 4.170 -0.001 0.000 0.292 143 I C -0.414 175.786 176.117 0.139 0.000 1.066 143 I CA -0.804 60.594 61.300 0.164 0.000 1.053 143 I CB 1.805 39.894 38.000 0.148 0.000 1.241 143 I HN 0.722 nan 8.210 nan 0.000 0.421 144 D N 4.306 124.787 120.400 0.135 0.000 2.800 144 D HA -0.176 4.463 4.640 -0.001 0.000 0.248 144 D C -0.123 176.235 176.300 0.095 0.000 1.091 144 D CA 0.640 54.713 54.000 0.121 0.000 0.746 144 D CB -0.621 40.264 40.800 0.142 0.000 1.062 144 D HN 0.847 nan 8.370 nan 0.000 0.431 145 D N -0.452 120.009 120.400 0.101 0.000 2.723 145 D HA -0.148 4.491 4.640 -0.001 0.000 0.236 145 D C 1.013 177.350 176.300 0.061 0.000 1.138 145 D CA 2.670 56.715 54.000 0.075 0.000 0.676 145 D CB -1.332 39.504 40.800 0.060 0.000 1.069 145 D HN 1.004 nan 8.370 nan 0.000 0.430 146 G N -1.008 107.860 108.800 0.114 0.000 2.221 146 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.265 146 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.265 146 G C 1.120 176.112 174.900 0.153 0.000 1.041 146 G CA 0.411 45.628 45.100 0.195 0.000 0.807 146 G HN 0.567 nan 8.290 nan 0.000 0.502 147 I N -1.297 119.300 120.570 0.045 0.000 2.556 147 I HA 0.245 4.414 4.170 -0.001 0.000 0.251 147 I C 1.378 177.418 176.117 -0.128 0.000 1.105 147 I CA 0.156 61.390 61.300 -0.109 0.000 1.436 147 I CB 0.069 37.885 38.000 -0.306 0.000 1.139 147 I HN 0.256 nan 8.210 nan 0.000 0.438 148 L N 1.831 123.019 121.223 -0.058 0.000 2.312 148 L HA 0.486 4.825 4.340 -0.001 0.000 0.281 148 L C -0.696 176.150 176.870 -0.040 0.000 1.070 148 L CA 0.044 54.873 54.840 -0.019 0.000 0.805 148 L CB 0.888 42.984 42.059 0.061 0.000 1.174 148 L HN -0.036 nan 8.230 nan 0.000 0.434 149 I N 5.728 126.247 120.570 -0.085 0.000 2.533 149 I HA 0.431 4.600 4.170 -0.001 0.000 0.290 149 I C -1.070 175.000 176.117 -0.078 0.000 1.056 149 I CA -0.539 60.639 61.300 -0.204 0.000 1.057 149 I CB 1.800 39.613 38.000 -0.311 0.000 1.240 149 I HN 0.417 nan 8.210 nan 0.000 0.423 150 L N 4.611 125.793 121.223 -0.068 0.000 2.362 150 L HA 0.559 4.898 4.340 -0.001 0.000 0.271 150 L C -0.586 176.248 176.870 -0.060 0.000 1.002 150 L CA -0.850 53.970 54.840 -0.034 0.000 0.818 150 L CB 1.946 43.990 42.059 -0.025 0.000 1.298 150 L HN 0.495 nan 8.230 nan 0.000 0.420 151 Q N 1.428 121.167 119.800 -0.102 0.000 2.296 151 Q HA 0.343 4.682 4.340 -0.001 0.000 0.257 151 Q C -0.991 174.888 176.000 -0.203 0.000 0.942 151 Q CA -0.335 55.338 55.803 -0.215 0.000 0.939 151 Q CB 1.613 30.243 28.738 -0.180 0.000 1.198 151 Q HN 0.442 nan 8.270 nan 0.000 0.429 152 V N 5.937 125.711 119.914 -0.233 0.000 2.387 152 V HA 0.021 4.140 4.120 -0.001 0.000 0.260 152 V C 0.707 176.674 176.094 -0.211 0.000 1.054 152 V CA -0.187 61.990 62.300 -0.206 0.000 0.967 152 V CB 0.896 32.607 31.823 -0.187 0.000 1.036 152 V HN 0.856 nan 8.190 nan 0.000 0.481 153 Q N 2.959 122.641 119.800 -0.196 0.000 2.019 153 Q HA 0.133 4.472 4.340 -0.001 0.000 0.195 153 Q C 1.028 176.920 176.000 -0.179 0.000 0.981 153 Q CA 1.158 56.860 55.803 -0.168 0.000 0.832 153 Q CB 0.183 28.838 28.738 -0.139 0.000 0.902 153 Q HN 0.859 nan 8.270 nan 0.000 0.461 154 S N -0.457 115.134 115.700 -0.182 0.000 2.697 154 S HA 0.423 4.893 4.470 -0.001 0.000 0.289 154 S C -0.701 173.755 174.600 -0.240 0.000 1.149 154 S CA -0.945 57.141 58.200 -0.191 0.000 0.850 154 S CB 1.286 64.449 63.200 -0.062 0.000 1.151 154 S HN 0.246 nan 8.310 nan 0.000 0.491 155 H N 1.411 120.478 119.070 -0.006 0.000 2.723 155 H HA 0.320 4.875 4.556 -0.001 0.000 0.294 155 H C 0.859 176.198 175.328 0.018 0.000 1.079 155 H CA -0.292 55.757 56.048 0.003 0.000 1.411 155 H CB 1.080 30.841 29.762 -0.002 0.000 1.439 155 H HN 0.746 nan 8.280 nan 0.000 0.474 156 E N 2.694 122.970 120.200 0.126 0.000 2.047 156 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 156 E C -0.113 176.525 176.600 0.064 0.000 0.987 156 E CA 1.264 57.723 56.400 0.098 0.000 0.799 156 E CB 0.498 30.267 29.700 0.116 0.000 0.752 156 E HN 0.841 nan 8.360 nan 0.000 0.449 157 D N -2.752 117.686 120.400 0.064 0.000 2.744 157 D HA 0.062 4.701 4.640 -0.001 0.000 0.304 157 D C 0.652 176.976 176.300 0.040 0.000 1.179 157 D CA -0.621 53.404 54.000 0.041 0.000 1.024 157 D CB 0.247 41.058 40.800 0.018 0.000 1.453 157 D HN -0.185 nan 8.370 nan 0.000 0.529 158 E N -0.843 119.359 120.200 0.004 0.000 2.187 158 E HA -0.319 4.030 4.350 -0.001 0.000 0.199 158 E C 1.232 177.831 176.600 -0.001 0.000 1.004 158 E CA 1.631 58.015 56.400 -0.026 0.000 0.813 158 E CB 0.109 29.791 29.700 -0.029 0.000 0.736 158 E HN 0.491 nan 8.360 nan 0.000 0.468 159 Q N -0.800 119.014 119.800 0.023 0.000 2.391 159 Q HA 0.082 4.421 4.340 -0.001 0.000 0.211 159 Q C 0.051 176.075 176.000 0.039 0.000 0.908 159 Q CA 0.475 56.299 55.803 0.035 0.000 0.920 159 Q CB 1.224 29.990 28.738 0.048 0.000 1.056 159 Q HN 0.057 nan 8.270 nan 0.000 0.523 160 T N 0.778 115.357 114.554 0.042 0.000 2.912 160 T HA 0.632 4.981 4.350 -0.001 0.000 0.288 160 T C -0.658 174.085 174.700 0.072 0.000 1.030 160 T CA -0.562 61.556 62.100 0.029 0.000 1.020 160 T CB 1.434 70.299 68.868 -0.005 0.000 1.056 160 T HN -0.011 nan 8.240 nan 0.000 0.480 161 L N 1.416 122.659 121.223 0.034 0.000 2.381 161 L HA 0.508 4.847 4.340 -0.001 0.000 0.274 161 L C 0.126 176.977 176.870 -0.032 0.000 0.988 161 L CA -0.905 53.926 54.840 -0.015 0.000 0.824 161 L CB 1.987 43.993 42.059 -0.088 0.000 1.263 161 L HN 0.629 nan 8.230 nan 0.000 0.410 162 E N 2.338 122.514 120.200 -0.041 0.000 2.257 162 E HA 0.327 4.676 4.350 -0.001 0.000 0.278 162 E C -1.406 175.023 176.600 -0.285 0.000 1.049 162 E CA -0.272 55.984 56.400 -0.240 0.000 0.876 162 E CB 0.868 30.525 29.700 -0.071 0.000 1.035 162 E HN 0.626 nan 8.360 nan 0.000 0.419 163 C N 3.188 122.260 119.300 -0.381 0.000 2.797 163 C HA 0.461 4.921 4.460 -0.001 0.000 0.306 163 C C -0.337 174.515 174.990 -0.229 0.000 1.207 163 C CA -0.802 58.062 59.018 -0.256 0.000 1.507 163 C CB 1.807 29.422 27.740 -0.208 0.000 2.028 163 C HN 0.684 nan 8.230 nan 0.000 0.475 164 T N 1.834 116.294 114.554 -0.157 0.000 2.795 164 T HA 0.481 4.830 4.350 -0.001 0.000 0.282 164 T C -0.162 174.498 174.700 -0.068 0.000 0.980 164 T CA -0.388 61.645 62.100 -0.111 0.000 1.012 164 T CB 1.099 69.912 68.868 -0.091 0.000 0.936 164 T HN 0.470 nan 8.240 nan 0.000 0.457 165 V N 3.900 123.788 119.914 -0.042 0.000 2.455 165 V HA 0.186 4.305 4.120 -0.001 0.000 0.273 165 V C 1.701 177.790 176.094 -0.008 0.000 1.045 165 V CA -0.354 61.940 62.300 -0.011 0.000 0.976 165 V CB 0.460 32.288 31.823 0.008 0.000 0.993 165 V HN 1.160 nan 8.190 nan 0.000 0.475 166 T N 0.812 115.365 114.554 -0.001 0.000 3.100 166 T HA 0.112 4.461 4.350 -0.001 0.000 0.253 166 T C 0.423 175.125 174.700 0.002 0.000 1.118 166 T CA 0.416 62.519 62.100 0.005 0.000 1.058 166 T CB -0.583 68.299 68.868 0.023 0.000 0.953 166 T HN 0.882 nan 8.240 nan 0.000 0.515 167 N N -0.849 117.854 118.700 0.004 0.000 2.815 167 N HA 0.340 5.079 4.740 -0.001 0.000 0.253 167 N C -1.589 173.938 175.510 0.028 0.000 1.202 167 N CA -0.840 52.216 53.050 0.010 0.000 0.925 167 N CB 1.215 39.702 38.487 -0.000 0.000 1.622 167 N HN -0.102 nan 8.380 nan 0.000 0.497 168 S N 0.688 116.408 115.700 0.033 0.000 2.572 168 S HA 0.299 4.768 4.470 -0.001 0.000 0.279 168 S C -0.673 173.998 174.600 0.118 0.000 1.341 168 S CA 0.184 58.411 58.200 0.046 0.000 1.043 168 S CB -0.107 63.107 63.200 0.022 0.000 0.887 168 S HN 0.744 nan 8.310 nan 0.000 0.516 169 H N -0.246 118.799 119.070 -0.041 0.000 2.988 169 H HA 0.249 4.804 4.556 -0.001 0.000 0.284 169 H C -1.400 173.879 175.328 -0.081 0.000 1.284 169 H CA -0.401 55.618 56.048 -0.048 0.000 1.431 169 H CB 0.403 30.145 29.762 -0.034 0.000 1.954 169 H HN 0.552 nan 8.280 nan 0.000 0.509 170 T N 5.447 119.591 114.554 -0.683 0.000 2.795 170 T HA 0.582 4.931 4.350 -0.001 0.000 0.282 170 T C 0.230 174.619 174.700 -0.518 0.000 0.980 170 T CA -0.536 61.270 62.100 -0.490 0.000 1.012 170 T CB 0.193 68.846 68.868 -0.359 0.000 0.936 170 T HN 0.507 nan 8.240 nan 0.000 0.457 171 I N -0.656 119.701 120.570 -0.354 0.000 2.740 171 I HA 0.749 4.919 4.170 -0.001 0.000 0.303 171 I C 0.005 176.000 176.117 -0.204 0.000 1.044 171 I CA -0.976 60.190 61.300 -0.222 0.000 1.064 171 I CB 2.147 40.047 38.000 -0.166 0.000 1.249 171 I HN 0.414 nan 8.210 nan 0.000 0.433 172 S N 1.975 117.657 115.700 -0.030 0.000 2.666 172 S HA 0.323 4.792 4.470 -0.001 0.000 0.279 172 S C -0.484 174.251 174.600 0.225 0.000 1.149 172 S CA -0.729 57.508 58.200 0.062 0.000 1.020 172 S CB 0.424 63.658 63.200 0.056 0.000 1.127 172 S HN 0.643 nan 8.310 nan 0.000 0.537 173 D N 0.406 120.932 120.400 0.209 0.000 2.360 173 D HA 0.275 4.914 4.640 -0.001 0.000 0.242 173 D C 0.063 176.449 176.300 0.144 0.000 1.184 173 D CA -0.030 54.083 54.000 0.188 0.000 0.930 173 D CB 0.092 40.964 40.800 0.120 0.000 1.161 173 D HN 0.346 nan 8.370 nan 0.000 0.447 174 R N 0.124 120.687 120.500 0.106 0.000 3.118 174 R HA -0.208 4.131 4.340 -0.001 0.000 0.238 174 R C -0.460 175.923 176.300 0.139 0.000 0.884 174 R CA 0.575 56.740 56.100 0.109 0.000 0.601 174 R CB -1.168 29.202 30.300 0.116 0.000 1.009 174 R HN 0.138 nan 8.270 nan 0.000 0.478 175 R N 0.084 120.667 120.500 0.139 0.000 2.410 175 R HA 0.364 4.703 4.340 -0.001 0.000 0.288 175 R C 1.076 177.454 176.300 0.130 0.000 1.051 175 R CA -0.200 55.986 56.100 0.143 0.000 1.021 175 R CB 0.671 31.054 30.300 0.139 0.000 1.032 175 R HN 0.348 nan 8.270 nan 0.000 0.481 176 G N 0.342 109.222 108.800 0.134 0.000 2.491 176 G HA2 0.287 4.246 3.960 -0.001 0.000 0.242 176 G HA3 0.287 4.246 3.960 -0.001 0.000 0.242 176 G C -0.722 174.252 174.900 0.122 0.000 1.266 176 G CA -0.307 44.864 45.100 0.120 0.000 0.844 176 G HN 0.376 nan 8.290 nan 0.000 0.571 177 V N 2.687 122.662 119.914 0.101 0.000 2.531 177 V HA 0.526 4.645 4.120 -0.001 0.000 0.301 177 V C -0.664 175.484 176.094 0.090 0.000 1.034 177 V CA -1.235 61.135 62.300 0.117 0.000 0.865 177 V CB 1.504 33.399 31.823 0.119 0.000 0.995 177 V HN 0.780 nan 8.190 nan 0.000 0.424 178 N N 5.755 124.543 118.700 0.148 0.000 2.417 178 N HA 0.668 5.407 4.740 -0.001 0.000 0.300 178 N C -1.380 174.230 175.510 0.168 0.000 1.102 178 N CA -0.451 52.670 53.050 0.118 0.000 0.886 178 N CB 2.414 40.952 38.487 0.085 0.000 1.203 178 N HN 0.596 nan 8.380 nan 0.000 0.496 179 L N 2.494 123.766 121.223 0.083 0.000 2.529 179 L HA 0.359 4.698 4.340 -0.001 0.000 0.260 179 L C -2.446 174.459 176.870 0.058 0.000 0.997 179 L CA -1.377 53.526 54.840 0.105 0.000 0.885 179 L CB 2.031 44.097 42.059 0.011 0.000 1.185 179 L HN 0.303 nan 8.230 nan 0.000 0.442 180 P HA 0.297 nan 4.420 nan 0.000 0.282 180 P C 0.662 177.975 177.300 0.022 0.000 1.259 180 P CA -0.091 63.022 63.100 0.022 0.000 0.826 180 P CB 1.580 33.267 31.700 -0.022 0.000 1.064 181 G N 0.812 109.584 108.800 -0.046 0.000 2.305 181 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.287 181 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.287 181 G C 0.503 175.393 174.900 -0.017 0.000 1.036 181 G CA 0.258 45.319 45.100 -0.065 0.000 0.887 181 G HN 0.599 nan 8.290 nan 0.000 0.505 182 C N -1.072 118.223 119.300 -0.009 0.000 3.757 182 C HA 0.364 4.823 4.460 -0.001 0.000 0.358 182 C C 0.809 175.799 174.990 0.001 0.000 1.484 182 C CA 0.003 59.023 59.018 0.004 0.000 1.862 182 C CB -0.189 27.557 27.740 0.009 0.000 2.654 182 C HN 0.886 nan 8.230 nan 0.000 0.699 183 D N 1.689 122.084 120.400 -0.009 0.000 3.478 183 D HA -0.152 4.487 4.640 -0.001 0.000 0.219 183 D C 0.080 176.376 176.300 -0.006 0.000 1.143 183 D CA 0.522 54.522 54.000 0.000 0.000 1.047 183 D CB -0.200 40.610 40.800 0.016 0.000 0.820 183 D HN 0.467 nan 8.370 nan 0.000 0.393 184 V N 1.224 121.102 119.914 -0.059 0.000 2.493 184 V HA 0.114 4.233 4.120 -0.001 0.000 0.292 184 V C 1.047 177.144 176.094 0.006 0.000 1.016 184 V CA -0.128 62.099 62.300 -0.121 0.000 1.097 184 V CB 1.280 32.910 31.823 -0.322 0.000 0.947 184 V HN 0.460 nan 8.190 nan 0.000 0.479 185 D N 4.751 125.231 120.400 0.135 0.000 2.767 185 D HA 0.279 4.918 4.640 -0.001 0.000 0.231 185 D C -0.299 176.115 176.300 0.189 0.000 1.105 185 D CA 0.306 54.396 54.000 0.151 0.000 1.024 185 D CB -0.466 40.426 40.800 0.154 0.000 1.123 185 D HN 0.695 nan 8.370 nan 0.000 0.470 186 L N 1.810 123.104 121.223 0.118 0.000 2.329 186 L HA 0.512 4.851 4.340 -0.001 0.000 0.279 186 L C -1.860 175.044 176.870 0.058 0.000 1.014 186 L CA -2.073 52.831 54.840 0.106 0.000 0.814 186 L CB 1.770 43.852 42.059 0.040 0.000 1.257 186 L HN 0.098 nan 8.230 nan 0.000 0.424 187 P HA 0.085 nan 4.420 nan 0.000 0.267 187 P C 0.087 177.412 177.300 0.042 0.000 1.200 187 P CA -0.124 63.003 63.100 0.045 0.000 0.772 187 P CB 0.902 32.628 31.700 0.043 0.000 0.855 188 A N 2.865 125.711 122.820 0.044 0.000 1.842 188 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 188 A C 0.950 178.567 177.584 0.055 0.000 1.206 188 A CA 1.825 53.893 52.037 0.051 0.000 0.630 188 A CB -1.014 18.014 19.000 0.047 0.000 0.839 188 A HN 0.475 nan 8.150 nan 0.000 0.447 189 V N 1.419 121.361 119.914 0.048 0.000 2.311 189 V HA 0.509 4.628 4.120 -0.001 0.000 0.275 189 V C 0.343 176.463 176.094 0.043 0.000 1.022 189 V CA -0.232 62.096 62.300 0.047 0.000 0.830 189 V CB 0.575 32.423 31.823 0.041 0.000 1.012 189 V HN 0.750 nan 8.190 nan 0.000 0.452 190 S N 5.854 121.581 115.700 0.046 0.000 2.608 190 S HA 0.532 5.001 4.470 -0.001 0.000 0.261 190 S C 1.551 176.178 174.600 0.044 0.000 1.314 190 S CA 0.068 58.295 58.200 0.044 0.000 0.992 190 S CB 1.507 64.735 63.200 0.046 0.000 0.935 190 S HN 1.523 nan 8.310 nan 0.000 0.564 191 A N 1.789 124.633 122.820 0.041 0.000 1.892 191 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 191 A C 2.093 179.705 177.584 0.047 0.000 1.188 191 A CA 1.947 54.007 52.037 0.039 0.000 0.631 191 A CB -1.125 17.894 19.000 0.033 0.000 0.822 191 A HN 0.950 nan 8.150 nan 0.000 0.447 192 K N -0.165 120.267 120.400 0.054 0.000 2.160 192 K HA -0.183 4.137 4.320 -0.001 0.000 0.206 192 K C 1.374 178.026 176.600 0.087 0.000 1.047 192 K CA 1.585 57.914 56.287 0.071 0.000 0.930 192 K CB -0.292 32.255 32.500 0.078 0.000 0.720 192 K HN 0.470 nan 8.250 nan 0.000 0.450 193 D N 0.533 120.975 120.400 0.069 0.000 2.137 193 D HA -0.060 4.580 4.640 -0.001 0.000 0.202 193 D C 1.953 178.280 176.300 0.044 0.000 0.970 193 D CA 0.825 54.858 54.000 0.055 0.000 0.837 193 D CB -0.110 40.718 40.800 0.048 0.000 0.981 193 D HN 0.142 nan 8.370 nan 0.000 0.475 194 R N 0.612 121.140 120.500 0.046 0.000 2.117 194 R HA -0.098 4.242 4.340 -0.001 0.000 0.243 194 R C 2.337 178.675 176.300 0.064 0.000 1.143 194 R CA 0.673 56.799 56.100 0.043 0.000 0.968 194 R CB -0.332 29.991 30.300 0.038 0.000 0.863 194 R HN 0.094 nan 8.270 nan 0.000 0.444 195 V N 1.329 121.292 119.914 0.082 0.000 2.261 195 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 195 V C 1.715 177.948 176.094 0.231 0.000 1.047 195 V CA 1.947 64.322 62.300 0.124 0.000 1.015 195 V CB -0.408 31.460 31.823 0.075 0.000 0.642 195 V HN 0.269 nan 8.190 nan 0.000 0.446 196 D N 0.026 120.537 120.400 0.186 0.000 2.117 196 D HA -0.124 4.515 4.640 -0.001 0.000 0.197 196 D C 2.168 178.416 176.300 -0.086 0.000 0.987 196 D CA 1.262 55.297 54.000 0.058 0.000 0.829 196 D CB -0.200 40.562 40.800 -0.063 0.000 0.961 196 D HN 0.335 nan 8.370 nan 0.000 0.460 197 L N 0.607 121.802 121.223 -0.047 0.000 2.027 197 L HA -0.163 4.176 4.340 -0.001 0.000 0.206 197 L C 2.677 179.537 176.870 -0.017 0.000 1.074 197 L CA 0.975 55.775 54.840 -0.067 0.000 0.745 197 L CB -0.468 41.568 42.059 -0.038 0.000 0.898 197 L HN 0.038 nan 8.230 nan 0.000 0.433 198 Q N 0.041 119.870 119.800 0.048 0.000 2.096 198 Q HA -0.286 4.053 4.340 -0.001 0.000 0.204 198 Q C 2.270 178.322 176.000 0.086 0.000 0.982 198 Q CA 2.112 57.953 55.803 0.064 0.000 0.850 198 Q CB -0.223 28.571 28.738 0.093 0.000 0.901 198 Q HN 0.468 nan 8.270 nan 0.000 0.422 199 F N 0.334 120.289 119.950 0.008 0.000 2.216 199 F HA -0.043 4.484 4.527 -0.001 0.000 0.300 199 F C 1.858 177.611 175.800 -0.079 0.000 1.085 199 F CA 1.716 59.722 58.000 0.010 0.000 1.326 199 F CB -0.534 38.476 39.000 0.017 0.000 1.027 199 F HN 0.098 nan 8.300 nan 0.000 0.497 200 G N 0.033 108.740 108.800 -0.154 0.000 2.402 200 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.216 200 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.216 200 G C 1.708 176.470 174.900 -0.230 0.000 1.162 200 G CA 1.106 46.054 45.100 -0.253 0.000 0.777 200 G HN 0.325 nan 8.290 nan 0.000 0.539 201 V N 0.719 120.543 119.914 -0.151 0.000 2.343 201 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 201 V C 2.660 178.674 176.094 -0.133 0.000 1.051 201 V CA 2.189 64.420 62.300 -0.115 0.000 1.036 201 V CB -0.507 31.276 31.823 -0.065 0.000 0.654 201 V HN 0.453 nan 8.190 nan 0.000 0.451 202 E N -0.315 119.791 120.200 -0.157 0.000 2.051 202 E HA -0.219 4.130 4.350 -0.001 0.000 0.192 202 E C 2.378 178.852 176.600 -0.209 0.000 0.991 202 E CA 1.235 57.544 56.400 -0.152 0.000 0.799 202 E CB -0.127 29.503 29.700 -0.118 0.000 0.748 202 E HN 0.558 nan 8.360 nan 0.000 0.449 203 Q N -0.854 118.730 119.800 -0.361 0.000 2.245 203 Q HA 0.003 4.342 4.340 -0.001 0.000 0.201 203 Q C 1.079 176.951 176.000 -0.213 0.000 0.955 203 Q CA 1.047 56.651 55.803 -0.332 0.000 0.870 203 Q CB 0.656 29.074 28.738 -0.533 0.000 0.945 203 Q HN 0.404 nan 8.270 nan 0.000 0.461 204 G N 1.469 110.150 108.800 -0.198 0.000 2.356 204 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.233 204 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.233 204 G C 0.183 175.005 174.900 -0.129 0.000 1.105 204 G CA 0.112 45.129 45.100 -0.137 0.000 0.861 204 G HN 0.304 nan 8.290 nan 0.000 0.493 205 V N -2.286 117.538 119.914 -0.149 0.000 2.872 205 V HA 0.407 4.526 4.120 -0.001 0.000 0.307 205 V C 1.168 177.191 176.094 -0.120 0.000 1.072 205 V CA 0.688 62.907 62.300 -0.136 0.000 1.148 205 V CB 1.110 32.839 31.823 -0.157 0.000 0.954 205 V HN 0.207 nan 8.190 nan 0.000 0.490 206 D N 3.042 123.372 120.400 -0.116 0.000 2.213 206 D HA 0.121 4.761 4.640 -0.001 0.000 0.205 206 D C 0.725 176.966 176.300 -0.099 0.000 0.961 206 D CA 1.635 55.579 54.000 -0.093 0.000 0.853 206 D CB 0.334 41.088 40.800 -0.076 0.000 0.967 206 D HN 0.836 nan 8.370 nan 0.000 0.496 207 M N -0.715 118.790 119.600 -0.158 0.000 2.520 207 M HA 0.403 4.882 4.480 -0.001 0.000 0.280 207 M C -1.906 174.234 176.300 -0.268 0.000 1.232 207 M CA -0.858 54.341 55.300 -0.169 0.000 0.892 207 M CB 2.829 35.350 32.600 -0.132 0.000 1.728 207 M HN -0.406 nan 8.290 nan 0.000 0.475 208 I N 3.025 123.499 120.570 -0.160 0.000 2.339 208 I HA 0.370 4.539 4.170 -0.001 0.000 0.290 208 I C -1.157 174.983 176.117 0.038 0.000 0.994 208 I CA -0.478 60.744 61.300 -0.130 0.000 1.191 208 I CB 0.989 38.955 38.000 -0.058 0.000 1.343 208 I HN 0.603 nan 8.210 nan 0.000 0.458 209 F N 4.994 124.940 119.950 -0.006 0.000 2.406 209 F HA 0.390 4.916 4.527 -0.001 0.000 0.358 209 F C 1.042 176.847 175.800 0.009 0.000 1.161 209 F CA -1.302 56.700 58.000 0.004 0.000 1.185 209 F CB 0.004 39.013 39.000 0.014 0.000 1.421 209 F HN 0.466 nan 8.300 nan 0.000 0.576 210 A N 2.498 125.431 122.820 0.189 0.000 2.444 210 A HA 0.425 4.745 4.320 -0.001 0.000 0.273 210 A C 0.672 178.322 177.584 0.110 0.000 1.136 210 A CA -0.153 51.955 52.037 0.119 0.000 0.799 210 A CB -0.028 19.023 19.000 0.086 0.000 1.081 210 A HN 0.539 nan 8.150 nan 0.000 0.509 211 S N 1.084 116.865 115.700 0.135 0.000 2.592 211 S HA 0.446 4.915 4.470 -0.001 0.000 0.271 211 S C 0.114 174.846 174.600 0.219 0.000 1.326 211 S CA -0.137 58.154 58.200 0.151 0.000 1.024 211 S CB -0.207 63.148 63.200 0.260 0.000 0.921 211 S HN 0.734 nan 8.310 nan 0.000 0.527 212 F N 0.113 120.080 119.950 0.028 0.000 3.079 212 F HA -0.178 4.349 4.527 -0.001 0.000 0.274 212 F C 0.347 176.158 175.800 0.019 0.000 0.940 212 F CA -0.127 57.885 58.000 0.019 0.000 0.932 212 F CB -1.375 37.636 39.000 0.019 0.000 0.891 212 F HN 0.352 nan 8.300 nan 0.000 0.722 213 I N 1.164 121.804 120.570 0.117 0.000 2.710 213 I HA -0.017 4.152 4.170 -0.001 0.000 0.286 213 I C 1.537 177.697 176.117 0.072 0.000 1.181 213 I CA 0.760 62.109 61.300 0.083 0.000 1.430 213 I CB 0.923 38.950 38.000 0.045 0.000 1.367 213 I HN 0.459 nan 8.210 nan 0.000 0.577 214 R N 3.147 123.689 120.500 0.070 0.000 2.568 214 R HA 0.232 4.571 4.340 -0.001 0.000 0.254 214 R C 0.084 176.409 176.300 0.042 0.000 0.925 214 R CA -0.135 56.002 56.100 0.062 0.000 1.025 214 R CB 0.470 30.820 30.300 0.083 0.000 1.428 214 R HN 0.613 nan 8.270 nan 0.000 0.573 215 S N -1.133 114.590 115.700 0.038 0.000 2.607 215 S HA 0.689 5.158 4.470 -0.001 0.000 0.273 215 S C 0.642 175.257 174.600 0.025 0.000 1.148 215 S CA -0.495 57.722 58.200 0.029 0.000 0.833 215 S CB 1.775 64.993 63.200 0.031 0.000 1.130 215 S HN 0.089 nan 8.310 nan 0.000 0.470 216 A N 0.924 123.755 122.820 0.018 0.000 1.858 216 A HA -0.042 4.277 4.320 -0.001 0.000 0.216 216 A C 1.939 179.535 177.584 0.019 0.000 1.190 216 A CA 1.857 53.904 52.037 0.016 0.000 0.617 216 A CB -1.382 17.624 19.000 0.011 0.000 0.827 216 A HN 1.009 nan 8.150 nan 0.000 0.443 217 E N -0.543 119.669 120.200 0.019 0.000 2.147 217 E HA -0.345 4.005 4.350 -0.001 0.000 0.199 217 E C 2.173 178.788 176.600 0.024 0.000 1.005 217 E CA 1.736 58.148 56.400 0.020 0.000 0.810 217 E CB -0.162 29.550 29.700 0.020 0.000 0.736 217 E HN 0.775 nan 8.360 nan 0.000 0.460 218 Q N -0.075 119.743 119.800 0.029 0.000 2.124 218 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 218 Q C 2.103 178.124 176.000 0.034 0.000 0.977 218 Q CA 1.824 57.648 55.803 0.035 0.000 0.850 218 Q CB 0.153 28.917 28.738 0.044 0.000 0.901 218 Q HN 0.245 nan 8.270 nan 0.000 0.429 219 V N 0.138 120.070 119.914 0.030 0.000 2.358 219 V HA -0.161 3.958 4.120 -0.001 0.000 0.246 219 V C 2.302 178.410 176.094 0.024 0.000 1.047 219 V CA 1.704 64.021 62.300 0.029 0.000 1.035 219 V CB -1.302 30.536 31.823 0.026 0.000 0.658 219 V HN 0.603 nan 8.190 nan 0.000 0.452 220 G N -0.055 108.757 108.800 0.021 0.000 2.446 220 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.217 220 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.217 220 G C 1.247 176.158 174.900 0.019 0.000 1.168 220 G CA 1.097 46.208 45.100 0.018 0.000 0.771 220 G HN 0.477 nan 8.290 nan 0.000 0.551 221 D N 0.023 120.436 120.400 0.022 0.000 2.221 221 D HA -0.093 4.546 4.640 -0.001 0.000 0.204 221 D C 2.711 179.024 176.300 0.022 0.000 0.982 221 D CA 0.710 54.723 54.000 0.023 0.000 0.857 221 D CB -0.114 40.702 40.800 0.027 0.000 0.934 221 D HN 0.260 nan 8.370 nan 0.000 0.475 222 V N 0.289 120.217 119.914 0.023 0.000 2.283 222 V HA -0.139 3.980 4.120 -0.001 0.000 0.243 222 V C 2.539 178.640 176.094 0.012 0.000 1.039 222 V CA 1.299 63.611 62.300 0.020 0.000 1.016 222 V CB -0.383 31.455 31.823 0.025 0.000 0.650 222 V HN 0.069 nan 8.190 nan 0.000 0.449 223 R N 0.131 120.638 120.500 0.012 0.000 2.096 223 R HA -0.165 4.174 4.340 -0.001 0.000 0.235 223 R C 2.424 178.728 176.300 0.007 0.000 1.127 223 R CA 1.596 57.700 56.100 0.008 0.000 0.968 223 R CB -0.176 30.130 30.300 0.009 0.000 0.861 223 R HN 0.414 nan 8.270 nan 0.000 0.440 224 K N -0.411 119.995 120.400 0.010 0.000 2.097 224 K HA -0.076 4.243 4.320 -0.001 0.000 0.205 224 K C 1.748 178.354 176.600 0.010 0.000 1.050 224 K CA 1.266 57.559 56.287 0.010 0.000 0.938 224 K CB -0.004 32.503 32.500 0.012 0.000 0.718 224 K HN 0.220 nan 8.250 nan 0.000 0.442 225 A N 0.693 123.520 122.820 0.011 0.000 2.067 225 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 225 A C 1.887 179.475 177.584 0.007 0.000 1.156 225 A CA 0.688 52.732 52.037 0.012 0.000 0.683 225 A CB -0.274 18.735 19.000 0.016 0.000 0.808 225 A HN 0.242 nan 8.150 nan 0.000 0.455 226 L N -1.071 120.152 121.223 0.000 0.000 2.275 226 L HA 0.127 4.466 4.340 -0.001 0.000 0.215 226 L C 1.489 178.355 176.870 -0.006 0.000 1.119 226 L CA 0.580 55.415 54.840 -0.009 0.000 0.790 226 L CB -0.799 41.251 42.059 -0.016 0.000 0.919 226 L HN 0.637 nan 8.230 nan 0.000 0.443 227 G N -0.448 108.351 108.800 -0.000 0.000 2.760 227 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.246 227 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.246 227 G C -2.241 172.658 174.900 -0.001 0.000 1.359 227 G CA -0.335 44.766 45.100 0.001 0.000 0.861 227 G HN 0.037 nan 8.290 nan 0.000 0.541 228 P HA 0.108 nan 4.420 nan 0.000 0.231 228 P C 1.734 179.032 177.300 -0.004 0.000 1.168 228 P CA 0.870 63.970 63.100 0.000 0.000 0.779 228 P CB 0.158 31.860 31.700 0.003 0.000 0.844 229 K N -0.268 120.128 120.400 -0.007 0.000 2.148 229 K HA 0.038 4.357 4.320 -0.001 0.000 0.204 229 K C 1.488 178.076 176.600 -0.019 0.000 1.050 229 K CA 1.225 57.505 56.287 -0.012 0.000 0.942 229 K CB -0.681 31.810 32.500 -0.015 0.000 0.724 229 K HN 0.149 nan 8.250 nan 0.000 0.446 230 G N 1.735 110.523 108.800 -0.020 0.000 4.804 230 G HA2 0.075 4.034 3.960 -0.001 0.000 0.310 230 G HA3 0.075 4.034 3.960 -0.001 0.000 0.310 230 G C 0.896 175.785 174.900 -0.018 0.000 1.389 230 G CA -0.501 44.583 45.100 -0.027 0.000 1.106 230 G HN 0.235 nan 8.290 nan 0.000 0.595 231 R N -0.943 119.550 120.500 -0.011 0.000 2.153 231 R HA 0.071 4.411 4.340 -0.001 0.000 0.218 231 R C 0.623 176.921 176.300 -0.004 0.000 1.072 231 R CA 0.793 56.891 56.100 -0.004 0.000 0.990 231 R CB 0.062 30.362 30.300 0.001 0.000 0.889 231 R HN 0.039 nan 8.270 nan 0.000 0.452 232 D N 1.218 121.614 120.400 -0.008 0.000 2.317 232 D HA 0.111 4.751 4.640 -0.001 0.000 0.211 232 D C 0.595 176.888 176.300 -0.011 0.000 0.966 232 D CA 0.458 54.455 54.000 -0.006 0.000 0.876 232 D CB 0.099 40.895 40.800 -0.007 0.000 0.927 232 D HN 0.236 nan 8.370 nan 0.000 0.519 233 I N 1.414 121.971 120.570 -0.021 0.000 2.556 233 I HA 0.000 4.169 4.170 -0.001 0.000 0.284 233 I C 0.929 177.036 176.117 -0.017 0.000 1.114 233 I CA -0.119 61.163 61.300 -0.031 0.000 1.418 233 I CB 0.670 38.640 38.000 -0.050 0.000 1.394 233 I HN -0.284 nan 8.210 nan 0.000 0.552 234 M N 6.390 125.983 119.600 -0.012 0.000 2.242 234 M HA 0.333 4.812 4.480 -0.001 0.000 0.344 234 M C -0.418 175.895 176.300 0.021 0.000 1.140 234 M CA 0.163 55.471 55.300 0.013 0.000 1.160 234 M CB 0.852 33.470 32.600 0.030 0.000 1.491 234 M HN 0.425 nan 8.290 nan 0.000 0.459 235 I N 3.884 124.479 120.570 0.043 0.000 2.464 235 I HA 0.253 4.422 4.170 -0.001 0.000 0.277 235 I C -0.760 175.413 176.117 0.092 0.000 1.040 235 I CA -0.482 60.853 61.300 0.058 0.000 1.153 235 I CB 0.850 38.873 38.000 0.038 0.000 1.274 235 I HN 0.436 nan 8.210 nan 0.000 0.469 236 I N 5.249 125.918 120.570 0.167 0.000 2.301 236 I HA 0.160 4.329 4.170 -0.001 0.000 0.292 236 I C 0.235 176.421 176.117 0.114 0.000 1.046 236 I CA -0.516 60.884 61.300 0.167 0.000 1.282 236 I CB 0.739 38.911 38.000 0.288 0.000 1.409 236 I HN 0.484 nan 8.210 nan 0.000 0.484 237 C N 6.719 126.047 119.300 0.047 0.000 2.482 237 C HA 0.184 4.643 4.460 -0.001 0.000 0.378 237 C C 1.057 176.031 174.990 -0.027 0.000 1.284 237 C CA -0.794 58.237 59.018 0.022 0.000 1.826 237 C CB -0.653 27.095 27.740 0.014 0.000 2.473 237 C HN 0.584 nan 8.230 nan 0.000 0.562 238 K N 3.992 124.371 120.400 -0.036 0.000 2.273 238 K HA 0.313 4.632 4.320 -0.001 0.000 0.287 238 K C -0.248 176.279 176.600 -0.120 0.000 1.089 238 K CA -0.150 56.076 56.287 -0.103 0.000 0.909 238 K CB 0.335 32.766 32.500 -0.115 0.000 1.123 238 K HN 0.521 nan 8.250 nan 0.000 0.473 239 I N 4.668 125.168 120.570 -0.116 0.000 2.347 239 I HA -0.021 4.148 4.170 -0.001 0.000 0.294 239 I C 1.002 177.020 176.117 -0.164 0.000 1.090 239 I CA 0.563 61.796 61.300 -0.111 0.000 1.314 239 I CB -0.213 37.738 38.000 -0.082 0.000 1.423 239 I HN 0.765 nan 8.210 nan 0.000 0.503 240 E N 4.639 124.705 120.200 -0.223 0.000 2.945 240 E HA 0.156 4.505 4.350 -0.001 0.000 0.196 240 E C -0.585 175.888 176.600 -0.211 0.000 0.965 240 E CA -0.538 55.676 56.400 -0.310 0.000 1.270 240 E CB 0.372 29.724 29.700 -0.580 0.000 1.045 240 E HN 0.612 nan 8.360 nan 0.000 0.474 241 N N -0.489 118.176 118.700 -0.058 0.000 2.774 241 N HA 0.098 4.837 4.740 -0.001 0.000 0.264 241 N C 0.270 175.822 175.510 0.070 0.000 1.415 241 N CA -0.720 52.375 53.050 0.075 0.000 0.815 241 N CB 0.726 39.342 38.487 0.215 0.000 1.514 241 N HN -0.027 nan 8.380 nan 0.000 0.523 242 H N -0.348 118.734 119.070 0.020 0.000 2.289 242 H HA -0.159 4.396 4.556 -0.001 0.000 0.296 242 H C 1.610 176.942 175.328 0.008 0.000 1.091 242 H CA 3.164 59.216 56.048 0.007 0.000 1.274 242 H CB 0.318 30.086 29.762 0.011 0.000 1.364 242 H HN 0.715 nan 8.280 nan 0.000 0.490 243 Q N -1.231 118.635 119.800 0.110 0.000 2.137 243 Q HA -0.007 4.332 4.340 -0.001 0.000 0.198 243 Q C 2.623 178.624 176.000 0.001 0.000 0.960 243 Q CA 0.974 56.809 55.803 0.052 0.000 0.847 243 Q CB -0.383 28.413 28.738 0.096 0.000 0.915 243 Q HN 0.483 nan 8.270 nan 0.000 0.448 244 G N 1.619 110.427 108.800 0.012 0.000 2.469 244 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.220 244 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.220 244 G C 1.533 176.409 174.900 -0.039 0.000 1.136 244 G CA 1.244 46.340 45.100 -0.006 0.000 0.759 244 G HN 0.254 nan 8.290 nan 0.000 0.562 245 V N 0.148 120.019 119.914 -0.071 0.000 2.379 245 V HA -0.189 3.930 4.120 -0.001 0.000 0.245 245 V C 2.706 178.746 176.094 -0.090 0.000 1.044 245 V CA 2.108 64.353 62.300 -0.092 0.000 1.036 245 V CB -0.493 31.252 31.823 -0.129 0.000 0.664 245 V HN 0.451 nan 8.190 nan 0.000 0.453 246 Q N 0.201 119.936 119.800 -0.109 0.000 2.167 246 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 246 Q C 1.234 177.208 176.000 -0.043 0.000 0.970 246 Q CA 1.325 57.078 55.803 -0.083 0.000 0.855 246 Q CB 0.024 28.712 28.738 -0.084 0.000 0.911 246 Q HN 0.600 nan 8.270 nan 0.000 0.438 247 N N 0.430 119.112 118.700 -0.030 0.000 2.251 247 N HA 0.004 4.743 4.740 -0.001 0.000 0.217 247 N C 1.072 176.571 175.510 -0.017 0.000 1.124 247 N CA -0.007 53.034 53.050 -0.015 0.000 0.843 247 N CB 0.249 38.736 38.487 -0.001 0.000 1.024 247 N HN 0.225 nan 8.380 nan 0.000 0.501 248 I N 1.373 121.927 120.570 -0.027 0.000 2.185 248 I HA -0.327 3.843 4.170 -0.001 0.000 0.246 248 I C 1.442 177.548 176.117 -0.019 0.000 1.088 248 I CA 1.717 63.002 61.300 -0.026 0.000 1.347 248 I CB -0.013 37.967 38.000 -0.034 0.000 1.041 248 I HN 0.082 nan 8.210 nan 0.000 0.415 249 D N 0.131 120.520 120.400 -0.019 0.000 2.108 249 D HA -0.204 4.435 4.640 -0.001 0.000 0.190 249 D C 2.376 178.669 176.300 -0.012 0.000 0.995 249 D CA 2.345 56.335 54.000 -0.016 0.000 0.834 249 D CB -0.492 40.297 40.800 -0.018 0.000 0.967 249 D HN 0.557 nan 8.370 nan 0.000 0.446 250 S N 0.274 115.969 115.700 -0.009 0.000 2.423 250 S HA -0.055 4.414 4.470 -0.001 0.000 0.231 250 S C 2.321 176.921 174.600 -0.000 0.000 1.014 250 S CA 0.337 58.535 58.200 -0.004 0.000 0.965 250 S CB -0.491 62.708 63.200 -0.002 0.000 0.785 250 S HN 0.248 nan 8.310 nan 0.000 0.495 251 I N 1.391 121.960 120.570 -0.001 0.000 2.202 251 I HA -0.111 4.058 4.170 -0.001 0.000 0.242 251 I C 2.412 178.530 176.117 0.003 0.000 1.091 251 I CA 1.217 62.519 61.300 0.003 0.000 1.368 251 I CB -0.389 37.611 38.000 0.000 0.000 1.058 251 I HN 0.264 nan 8.210 nan 0.000 0.410 252 I N 0.684 121.253 120.570 -0.002 0.000 2.163 252 I HA -0.316 3.853 4.170 -0.001 0.000 0.243 252 I C 2.620 178.739 176.117 0.003 0.000 1.085 252 I CA 1.449 62.748 61.300 -0.000 0.000 1.347 252 I CB -0.326 37.670 38.000 -0.005 0.000 1.044 252 I HN 0.247 nan 8.210 nan 0.000 0.408 253 E N 1.175 121.375 120.200 0.001 0.000 2.097 253 E HA -0.257 4.092 4.350 -0.001 0.000 0.196 253 E C 2.012 178.616 176.600 0.006 0.000 1.000 253 E CA 1.651 58.052 56.400 0.001 0.000 0.804 253 E CB -0.014 29.685 29.700 -0.003 0.000 0.740 253 E HN 0.369 nan 8.360 nan 0.000 0.454 254 E N 0.220 120.425 120.200 0.008 0.000 2.122 254 E HA 0.009 4.358 4.350 -0.001 0.000 0.190 254 E C 0.956 177.565 176.600 0.015 0.000 0.977 254 E CA 0.737 57.144 56.400 0.011 0.000 0.820 254 E CB -0.249 29.459 29.700 0.012 0.000 0.770 254 E HN 0.302 nan 8.360 nan 0.000 0.462 255 S N 0.921 116.631 115.700 0.017 0.000 2.624 255 S HA 0.153 4.622 4.470 -0.001 0.000 0.263 255 S C 0.590 175.205 174.600 0.025 0.000 1.287 255 S CA -0.589 57.625 58.200 0.023 0.000 0.990 255 S CB 1.196 64.409 63.200 0.023 0.000 0.950 255 S HN -0.110 nan 8.310 nan 0.000 0.561 256 D N 0.305 120.726 120.400 0.034 0.000 2.367 256 D HA 0.312 4.951 4.640 -0.001 0.000 0.207 256 D C 0.793 177.118 176.300 0.042 0.000 1.034 256 D CA 0.789 54.811 54.000 0.037 0.000 0.861 256 D CB 0.524 41.349 40.800 0.042 0.000 0.943 256 D HN 0.787 nan 8.370 nan 0.000 0.515 257 G N 0.032 108.856 108.800 0.040 0.000 2.356 257 G HA2 0.392 4.351 3.960 -0.001 0.000 0.294 257 G HA3 0.392 4.351 3.960 -0.001 0.000 0.294 257 G C -1.828 173.079 174.900 0.012 0.000 1.423 257 G CA -0.653 44.465 45.100 0.030 0.000 0.806 257 G HN -0.097 nan 8.290 nan 0.000 0.527 258 I N 0.749 121.311 120.570 -0.014 0.000 2.569 258 I HA 0.561 4.730 4.170 -0.001 0.000 0.296 258 I C -0.130 175.932 176.117 -0.091 0.000 1.028 258 I CA -0.815 60.460 61.300 -0.042 0.000 1.082 258 I CB 1.856 39.834 38.000 -0.036 0.000 1.264 258 I HN 0.564 nan 8.210 nan 0.000 0.429 259 M N 5.600 125.120 119.600 -0.133 0.000 2.243 259 M HA 0.407 4.886 4.480 -0.001 0.000 0.324 259 M C -1.183 175.031 176.300 -0.144 0.000 1.031 259 M CA -0.765 54.422 55.300 -0.188 0.000 0.949 259 M CB 1.757 34.162 32.600 -0.325 0.000 1.615 259 M HN 0.262 nan 8.290 nan 0.000 0.430 260 V N 5.010 124.850 119.914 -0.122 0.000 2.276 260 V HA 0.226 4.345 4.120 -0.001 0.000 0.249 260 V C 0.646 176.668 176.094 -0.119 0.000 1.160 260 V CA -0.503 61.734 62.300 -0.105 0.000 1.042 260 V CB -0.421 31.356 31.823 -0.075 0.000 1.224 260 V HN 0.855 nan 8.190 nan 0.000 0.496 261 A N 5.377 128.110 122.820 -0.145 0.000 2.544 261 A HA 0.316 4.635 4.320 -0.001 0.000 0.301 261 A C 1.412 178.918 177.584 -0.131 0.000 1.368 261 A CA -0.267 51.681 52.037 -0.148 0.000 1.045 261 A CB -0.221 18.665 19.000 -0.190 0.000 1.129 261 A HN 0.828 nan 8.150 nan 0.000 0.540 262 R N 2.242 122.686 120.500 -0.092 0.000 2.153 262 R HA -0.054 4.285 4.340 -0.001 0.000 0.218 262 R C 2.289 178.550 176.300 -0.065 0.000 1.072 262 R CA 1.005 57.060 56.100 -0.074 0.000 0.990 262 R CB -0.054 30.215 30.300 -0.052 0.000 0.889 262 R HN 0.741 nan 8.270 nan 0.000 0.452 263 G N 1.887 110.654 108.800 -0.056 0.000 2.586 263 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.218 263 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.218 263 G C 0.999 175.877 174.900 -0.037 0.000 1.216 263 G CA 1.233 46.315 45.100 -0.031 0.000 0.786 263 G HN 0.227 nan 8.290 nan 0.000 0.583 264 D N -0.018 120.340 120.400 -0.070 0.000 2.183 264 D HA -0.004 4.635 4.640 -0.001 0.000 0.203 264 D C 2.474 178.727 176.300 -0.077 0.000 0.969 264 D CA 0.103 54.069 54.000 -0.057 0.000 0.842 264 D CB 0.020 40.717 40.800 -0.172 0.000 0.957 264 D HN 0.201 nan 8.370 nan 0.000 0.484 265 L N 0.924 122.080 121.223 -0.112 0.000 2.046 265 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 265 L C 2.251 179.078 176.870 -0.072 0.000 1.077 265 L CA 1.487 56.272 54.840 -0.091 0.000 0.747 265 L CB -0.605 41.396 42.059 -0.097 0.000 0.896 265 L HN 0.032 nan 8.230 nan 0.000 0.432 266 G N -1.476 107.282 108.800 -0.070 0.000 2.586 266 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.215 266 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.215 266 G C 1.289 176.127 174.900 -0.102 0.000 1.128 266 G CA 0.890 45.949 45.100 -0.069 0.000 0.774 266 G HN 0.375 nan 8.290 nan 0.000 0.543 267 V N -0.626 119.211 119.914 -0.128 0.000 2.806 267 V HA 0.076 4.195 4.120 -0.001 0.000 0.239 267 V C 2.352 178.285 176.094 -0.268 0.000 1.113 267 V CA 0.584 62.732 62.300 -0.255 0.000 1.137 267 V CB -0.063 31.619 31.823 -0.236 0.000 0.865 267 V HN 0.148 nan 8.190 nan 0.000 0.482 268 E N 1.286 121.411 120.200 -0.125 0.000 2.150 268 E HA -0.011 4.338 4.350 -0.001 0.000 0.193 268 E C 0.787 177.381 176.600 -0.009 0.000 0.985 268 E CA 1.099 57.469 56.400 -0.050 0.000 0.814 268 E CB 0.069 29.793 29.700 0.040 0.000 0.752 268 E HN 0.769 nan 8.360 nan 0.000 0.466 269 I N -2.664 117.894 120.570 -0.020 0.000 2.846 269 I HA 0.443 4.612 4.170 -0.001 0.000 0.307 269 I C -2.693 173.404 176.117 -0.035 0.000 1.053 269 I CA -3.114 58.194 61.300 0.014 0.000 1.050 269 I CB 2.021 40.033 38.000 0.021 0.000 1.239 269 I HN -0.371 nan 8.210 nan 0.000 0.439 270 P HA 0.073 nan 4.420 nan 0.000 0.261 270 P C 0.551 177.830 177.300 -0.033 0.000 1.203 270 P CA 0.141 63.222 63.100 -0.031 0.000 0.767 270 P CB 1.070 32.763 31.700 -0.012 0.000 0.785 271 A N 5.474 128.268 122.820 -0.043 0.000 1.971 271 A HA -0.269 4.050 4.320 -0.001 0.000 0.222 271 A C 1.953 179.520 177.584 -0.029 0.000 1.182 271 A CA 1.888 53.901 52.037 -0.039 0.000 0.649 271 A CB -0.834 18.144 19.000 -0.037 0.000 0.818 271 A HN 0.636 nan 8.150 nan 0.000 0.458 272 E N 0.599 120.785 120.200 -0.024 0.000 2.153 272 E HA -0.217 4.132 4.350 -0.001 0.000 0.194 272 E C 1.527 178.114 176.600 -0.021 0.000 0.988 272 E CA 1.543 57.931 56.400 -0.020 0.000 0.811 272 E CB -0.474 29.216 29.700 -0.017 0.000 0.746 272 E HN 0.709 nan 8.360 nan 0.000 0.466 273 K N 0.878 121.265 120.400 -0.022 0.000 2.366 273 K HA 0.044 4.363 4.320 -0.001 0.000 0.198 273 K C 2.216 178.798 176.600 -0.030 0.000 1.044 273 K CA 0.675 56.947 56.287 -0.024 0.000 0.973 273 K CB 0.040 32.529 32.500 -0.020 0.000 0.767 273 K HN -0.051 nan 8.250 nan 0.000 0.475 274 V N 1.165 121.060 119.914 -0.032 0.000 2.324 274 V HA -0.273 3.846 4.120 -0.001 0.000 0.250 274 V C 2.219 178.294 176.094 -0.031 0.000 1.060 274 V CA 1.628 63.906 62.300 -0.036 0.000 1.042 274 V CB -0.463 31.338 31.823 -0.037 0.000 0.650 274 V HN 0.098 nan 8.190 nan 0.000 0.450 275 V N -0.200 119.700 119.914 -0.024 0.000 2.332 275 V HA -0.232 3.887 4.120 -0.001 0.000 0.248 275 V C 2.363 178.446 176.094 -0.019 0.000 1.055 275 V CA 2.085 64.374 62.300 -0.018 0.000 1.038 275 V CB -0.395 31.419 31.823 -0.015 0.000 0.651 275 V HN 0.456 nan 8.190 nan 0.000 0.450 276 V N 0.186 120.086 119.914 -0.023 0.000 2.323 276 V HA -0.183 3.936 4.120 -0.001 0.000 0.244 276 V C 2.694 178.770 176.094 -0.030 0.000 1.041 276 V CA 1.729 64.014 62.300 -0.025 0.000 1.025 276 V CB -1.299 30.508 31.823 -0.027 0.000 0.656 276 V HN 0.530 nan 8.190 nan 0.000 0.451 277 A N -0.397 122.401 122.820 -0.037 0.000 1.873 277 A HA -0.364 3.955 4.320 -0.001 0.000 0.218 277 A C 2.268 179.830 177.584 -0.036 0.000 1.193 277 A CA 2.498 54.509 52.037 -0.044 0.000 0.629 277 A CB -0.727 18.241 19.000 -0.054 0.000 0.826 277 A HN 0.600 nan 8.150 nan 0.000 0.447 278 Q N -0.277 119.505 119.800 -0.031 0.000 2.012 278 Q HA -0.305 4.034 4.340 -0.001 0.000 0.211 278 Q C 2.088 178.082 176.000 -0.011 0.000 1.009 278 Q CA 2.543 58.333 55.803 -0.022 0.000 0.866 278 Q CB -0.222 28.508 28.738 -0.013 0.000 0.945 278 Q HN 0.700 nan 8.270 nan 0.000 0.414 279 K N -0.074 120.322 120.400 -0.007 0.000 2.034 279 K HA -0.211 4.109 4.320 -0.001 0.000 0.214 279 K C 2.122 178.716 176.600 -0.010 0.000 1.051 279 K CA 2.011 58.297 56.287 -0.001 0.000 0.931 279 K CB -0.367 32.129 32.500 -0.007 0.000 0.715 279 K HN 0.320 nan 8.250 nan 0.000 0.446 280 I N 1.165 121.722 120.570 -0.022 0.000 2.142 280 I HA -0.315 3.854 4.170 -0.001 0.000 0.240 280 I C 2.284 178.386 176.117 -0.025 0.000 1.078 280 I CA 1.319 62.603 61.300 -0.027 0.000 1.343 280 I CB -0.439 37.540 38.000 -0.035 0.000 1.046 280 I HN 0.111 nan 8.210 nan 0.000 0.405 281 L N 0.477 121.684 121.223 -0.027 0.000 1.955 281 L HA -0.244 4.095 4.340 -0.001 0.000 0.213 281 L C 2.587 179.449 176.870 -0.013 0.000 1.072 281 L CA 1.654 56.479 54.840 -0.026 0.000 0.755 281 L CB -0.843 41.195 42.059 -0.035 0.000 0.888 281 L HN 0.179 nan 8.230 nan 0.000 0.432 282 I N -0.140 120.428 120.570 -0.003 0.000 2.074 282 I HA -0.398 3.771 4.170 -0.001 0.000 0.238 282 I C 2.785 178.920 176.117 0.030 0.000 1.037 282 I CA 1.821 63.132 61.300 0.020 0.000 1.301 282 I CB -0.494 37.529 38.000 0.038 0.000 1.016 282 I HN 0.244 nan 8.210 nan 0.000 0.400 283 S N 0.095 115.806 115.700 0.018 0.000 2.370 283 S HA -0.212 4.257 4.470 -0.001 0.000 0.226 283 S C 1.937 176.530 174.600 -0.011 0.000 1.033 283 S CA 1.380 59.580 58.200 -0.000 0.000 1.011 283 S CB -0.226 62.955 63.200 -0.032 0.000 0.852 283 S HN 0.344 nan 8.310 nan 0.000 0.457 284 K N 0.054 120.446 120.400 -0.015 0.000 2.147 284 K HA -0.053 4.266 4.320 -0.001 0.000 0.205 284 K C 2.299 178.893 176.600 -0.010 0.000 1.049 284 K CA 1.149 57.425 56.287 -0.018 0.000 0.936 284 K CB -0.296 32.191 32.500 -0.021 0.000 0.722 284 K HN 0.389 nan 8.250 nan 0.000 0.446 285 C N 0.840 120.139 119.300 -0.001 0.000 2.453 285 C HA -0.048 4.411 4.460 -0.001 0.000 0.277 285 C C 2.175 177.175 174.990 0.016 0.000 1.262 285 C CA 0.657 59.680 59.018 0.007 0.000 1.718 285 C CB -1.206 26.540 27.740 0.010 0.000 2.031 285 C HN 0.560 nan 8.230 nan 0.000 0.480 286 N N 0.818 119.538 118.700 0.034 0.000 2.137 286 N HA -0.156 4.584 4.740 -0.001 0.000 0.190 286 N C 1.480 176.988 175.510 -0.004 0.000 1.017 286 N CA 1.451 54.535 53.050 0.056 0.000 0.859 286 N CB -0.153 38.412 38.487 0.131 0.000 1.002 286 N HN 0.341 nan 8.380 nan 0.000 0.428 287 V N 0.896 120.795 119.914 -0.026 0.000 2.453 287 V HA -0.135 3.984 4.120 -0.001 0.000 0.247 287 V C 2.266 178.336 176.094 -0.039 0.000 1.048 287 V CA 1.818 64.088 62.300 -0.052 0.000 1.049 287 V CB -0.720 31.076 31.823 -0.045 0.000 0.672 287 V HN 0.361 nan 8.190 nan 0.000 0.457 288 A N -0.611 122.199 122.820 -0.016 0.000 1.970 288 A HA 0.318 4.637 4.320 -0.001 0.000 0.216 288 A C 2.081 179.670 177.584 0.008 0.000 1.170 288 A CA 1.463 53.499 52.037 -0.002 0.000 0.645 288 A CB -0.437 18.564 19.000 0.002 0.000 0.816 288 A HN 1.264 nan 8.150 nan 0.000 0.447 289 G N -1.271 107.533 108.800 0.006 0.000 2.144 289 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.218 289 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.218 289 G C 0.009 174.930 174.900 0.034 0.000 0.988 289 G CA 0.263 45.376 45.100 0.023 0.000 0.659 289 G HN 0.528 nan 8.290 nan 0.000 0.522 290 K N 1.837 122.252 120.400 0.026 0.000 2.234 290 K HA 0.448 4.767 4.320 -0.001 0.000 0.277 290 K C -2.196 174.419 176.600 0.026 0.000 1.038 290 K CA -1.912 54.392 56.287 0.028 0.000 0.888 290 K CB 1.856 34.369 32.500 0.022 0.000 1.091 290 K HN 0.068 nan 8.250 nan 0.000 0.467 291 P HA -0.078 nan 4.420 nan 0.000 0.267 291 P C -0.677 176.629 177.300 0.011 0.000 1.200 291 P CA -0.183 62.932 63.100 0.026 0.000 0.772 291 P CB 0.810 32.532 31.700 0.037 0.000 0.855 292 V N 4.480 124.395 119.914 0.000 0.000 2.604 292 V HA 0.499 4.618 4.120 -0.001 0.000 0.305 292 V C -0.500 175.570 176.094 -0.040 0.000 1.043 292 V CA -1.030 61.258 62.300 -0.020 0.000 0.888 292 V CB 1.342 33.160 31.823 -0.008 0.000 0.995 292 V HN 0.290 nan 8.190 nan 0.000 0.429 293 I N 6.576 127.097 120.570 -0.081 0.000 2.378 293 I HA 0.442 4.611 4.170 -0.001 0.000 0.291 293 I C -0.136 175.920 176.117 -0.101 0.000 0.992 293 I CA -0.355 60.883 61.300 -0.104 0.000 1.154 293 I CB 1.540 39.424 38.000 -0.194 0.000 1.315 293 I HN 0.611 nan 8.210 nan 0.000 0.448 294 C N 6.267 125.526 119.300 -0.069 0.000 2.350 294 C HA 0.919 5.378 4.460 -0.001 0.000 0.348 294 C C 0.343 175.297 174.990 -0.061 0.000 1.260 294 C CA 0.096 59.079 59.018 -0.058 0.000 1.966 294 C CB -0.184 27.538 27.740 -0.030 0.000 2.380 294 C HN 0.944 nan 8.230 nan 0.000 0.535 295 A N 3.887 126.669 122.820 -0.063 0.000 2.609 295 A HA 0.883 5.202 4.320 -0.001 0.000 0.291 295 A C -0.269 177.289 177.584 -0.043 0.000 1.096 295 A CA -0.045 51.957 52.037 -0.057 0.000 0.684 295 A CB 0.873 19.820 19.000 -0.088 0.000 1.282 295 A HN 1.534 nan 8.150 nan 0.000 0.412 296 T N 1.055 115.593 114.554 -0.027 0.000 0.575 296 T HA -0.075 4.274 4.350 -0.001 0.000 0.770 296 T C 0.145 174.839 174.700 -0.010 0.000 0.992 296 T CA 0.817 62.908 62.100 -0.016 0.000 4.059 296 T CB -1.209 67.645 68.868 -0.023 0.000 2.293 296 T HN 1.631 nan 8.240 nan 0.000 0.396 297 Q N 0.188 119.987 119.800 -0.003 0.000 2.439 297 Q HA -0.276 4.063 4.340 -0.001 0.000 0.247 297 Q C 1.529 177.529 176.000 0.000 0.000 0.899 297 Q CA 1.528 57.331 55.803 0.001 0.000 1.201 297 Q CB -0.924 27.817 28.738 0.005 0.000 1.608 297 Q HN 0.823 nan 8.270 nan 0.000 0.563 298 M N -0.688 118.911 119.600 -0.001 0.000 2.229 298 M HA -0.093 4.386 4.480 -0.001 0.000 0.264 298 M C 1.146 177.447 176.300 0.003 0.000 1.063 298 M CA 1.381 56.683 55.300 0.002 0.000 1.114 298 M CB 0.253 32.855 32.600 0.003 0.000 1.387 298 M HN 0.249 nan 8.290 nan 0.000 0.420 299 L N -1.000 120.221 121.223 -0.003 0.000 3.347 299 L HA 0.148 4.488 4.340 -0.001 0.000 0.306 299 L C 1.210 178.066 176.870 -0.023 0.000 1.301 299 L CA -0.331 54.502 54.840 -0.013 0.000 0.985 299 L CB 0.312 42.366 42.059 -0.009 0.000 1.400 299 L HN 0.049 nan 8.230 nan 0.000 0.601 300 E N 1.458 121.650 120.200 -0.013 0.000 2.086 300 E HA -0.300 4.049 4.350 -0.001 0.000 0.205 300 E C 2.138 178.720 176.600 -0.030 0.000 1.027 300 E CA 2.347 58.736 56.400 -0.018 0.000 0.830 300 E CB 0.111 29.820 29.700 0.016 0.000 0.751 300 E HN 0.491 nan 8.360 nan 0.000 0.456 301 S N -0.711 114.999 115.700 0.016 0.000 2.537 301 S HA -0.121 4.348 4.470 -0.001 0.000 0.240 301 S C 1.671 176.285 174.600 0.023 0.000 0.981 301 S CA 0.984 59.226 58.200 0.071 0.000 0.948 301 S CB -0.237 63.003 63.200 0.067 0.000 0.759 301 S HN 0.303 nan 8.310 nan 0.000 0.531 302 M N 1.427 121.002 119.600 -0.041 0.000 2.568 302 M HA 0.098 4.577 4.480 -0.001 0.000 0.226 302 M C 0.917 177.205 176.300 -0.020 0.000 1.148 302 M CA 0.319 55.600 55.300 -0.031 0.000 1.007 302 M CB -0.339 32.221 32.600 -0.065 0.000 1.651 302 M HN 0.352 nan 8.290 nan 0.000 0.488 303 T N -0.945 113.491 114.554 -0.195 0.000 3.067 303 T HA -0.003 4.346 4.350 -0.001 0.000 0.261 303 T C 0.872 175.329 174.700 -0.405 0.000 1.110 303 T CA 1.027 62.896 62.100 -0.386 0.000 1.113 303 T CB 0.069 68.532 68.868 -0.676 0.000 0.917 303 T HN 0.452 nan 8.240 nan 0.000 0.499 304 Y N 0.357 120.725 120.300 0.113 0.000 2.769 304 Y HA 0.357 4.906 4.550 -0.001 0.000 0.266 304 Y C 0.904 176.936 175.900 0.220 0.000 1.091 304 Y CA -0.970 57.203 58.100 0.121 0.000 1.272 304 Y CB 0.200 38.698 38.460 0.062 0.000 1.469 304 Y HN 0.020 nan 8.280 nan 0.000 0.475 305 N N 2.313 121.181 118.700 0.279 0.000 2.476 305 N HA 0.183 4.922 4.740 -0.001 0.000 0.275 305 N C -2.368 173.025 175.510 -0.196 0.000 1.190 305 N CA -1.622 51.486 53.050 0.096 0.000 0.977 305 N CB 0.744 39.243 38.487 0.020 0.000 1.200 305 N HN -0.085 nan 8.380 nan 0.000 0.515 306 P HA 0.132 nan 4.420 nan 0.000 0.255 306 P C -0.648 176.331 177.300 -0.536 0.000 1.248 306 P CA 0.488 63.016 63.100 -0.954 0.000 0.807 306 P CB 0.546 31.636 31.700 -1.017 0.000 1.150 307 R N 0.701 120.960 120.500 -0.401 0.000 2.538 307 R HA 0.419 4.759 4.340 -0.001 0.000 0.292 307 R C -2.689 173.419 176.300 -0.321 0.000 1.008 307 R CA -2.024 53.807 56.100 -0.449 0.000 0.896 307 R CB 2.157 32.289 30.300 -0.279 0.000 1.187 307 R HN -0.059 nan 8.270 nan 0.000 0.440 308 P HA 0.048 nan 4.420 nan 0.000 0.274 308 P C -0.336 176.899 177.300 -0.108 0.000 1.246 308 P CA -0.331 62.653 63.100 -0.193 0.000 0.795 308 P CB 0.772 32.363 31.700 -0.181 0.000 1.006 309 T N -0.917 113.604 114.554 -0.055 0.000 2.788 309 T HA 0.188 4.537 4.350 -0.001 0.000 0.287 309 T C 1.459 176.151 174.700 -0.014 0.000 1.007 309 T CA -0.683 61.400 62.100 -0.028 0.000 1.005 309 T CB 0.499 69.360 68.868 -0.011 0.000 1.012 309 T HN 0.226 nan 8.240 nan 0.000 0.530 310 R N 0.849 121.346 120.500 -0.005 0.000 2.189 310 R HA 0.025 4.364 4.340 -0.001 0.000 0.223 310 R C 2.485 178.790 176.300 0.008 0.000 1.092 310 R CA 1.191 57.293 56.100 0.004 0.000 0.989 310 R CB -1.577 28.724 30.300 0.002 0.000 0.876 310 R HN 0.825 nan 8.270 nan 0.000 0.457 311 A N 1.520 124.343 122.820 0.004 0.000 1.872 311 A HA -0.137 4.182 4.320 -0.001 0.000 0.214 311 A C 2.050 179.641 177.584 0.012 0.000 1.187 311 A CA 1.079 53.120 52.037 0.007 0.000 0.614 311 A CB -0.286 18.717 19.000 0.004 0.000 0.826 311 A HN 0.289 nan 8.150 nan 0.000 0.442 312 E N -0.312 119.892 120.200 0.007 0.000 2.077 312 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 312 E C 2.018 178.631 176.600 0.021 0.000 0.989 312 E CA 1.289 57.694 56.400 0.008 0.000 0.800 312 E CB -0.279 29.417 29.700 -0.006 0.000 0.746 312 E HN 0.370 nan 8.360 nan 0.000 0.452 313 V N 0.946 120.876 119.914 0.026 0.000 2.233 313 V HA -0.331 3.788 4.120 -0.001 0.000 0.247 313 V C 2.454 178.582 176.094 0.057 0.000 1.050 313 V CA 2.038 64.368 62.300 0.051 0.000 1.010 313 V CB -0.869 30.990 31.823 0.059 0.000 0.637 313 V HN 0.340 nan 8.190 nan 0.000 0.444 314 S N -0.117 115.611 115.700 0.048 0.000 2.381 314 S HA -0.383 4.086 4.470 -0.001 0.000 0.230 314 S C 1.910 176.550 174.600 0.068 0.000 1.052 314 S CA 2.564 60.797 58.200 0.055 0.000 1.068 314 S CB -0.669 62.549 63.200 0.030 0.000 0.918 314 S HN 0.726 nan 8.310 nan 0.000 0.448 315 D N 0.212 120.640 120.400 0.047 0.000 2.087 315 D HA -0.100 4.539 4.640 -0.001 0.000 0.192 315 D C 2.054 178.387 176.300 0.054 0.000 0.993 315 D CA 1.830 55.856 54.000 0.044 0.000 0.828 315 D CB -0.701 40.114 40.800 0.025 0.000 0.968 315 D HN 0.324 nan 8.370 nan 0.000 0.448 316 V N 1.125 121.066 119.914 0.045 0.000 2.252 316 V HA -0.300 3.819 4.120 -0.001 0.000 0.249 316 V C 2.635 178.753 176.094 0.040 0.000 1.056 316 V CA 2.311 64.632 62.300 0.035 0.000 1.022 316 V CB -1.208 30.635 31.823 0.034 0.000 0.641 316 V HN 0.357 nan 8.190 nan 0.000 0.445 317 A N 0.163 123.028 122.820 0.075 0.000 1.845 317 A HA -0.258 4.061 4.320 -0.001 0.000 0.215 317 A C 2.110 179.851 177.584 0.263 0.000 1.195 317 A CA 2.102 54.204 52.037 0.109 0.000 0.616 317 A CB -0.858 18.272 19.000 0.216 0.000 0.832 317 A HN 0.575 nan 8.150 nan 0.000 0.443 318 N N 0.280 119.175 118.700 0.325 0.000 2.192 318 N HA -0.164 4.575 4.740 -0.001 0.000 0.188 318 N C 1.852 177.507 175.510 0.241 0.000 1.013 318 N CA 1.456 54.714 53.050 0.347 0.000 0.863 318 N CB -0.455 38.123 38.487 0.153 0.000 0.990 318 N HN 0.501 nan 8.380 nan 0.000 0.430 319 A N 0.577 123.475 122.820 0.129 0.000 1.877 319 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 319 A C 2.518 180.133 177.584 0.051 0.000 1.186 319 A CA 1.294 53.375 52.037 0.073 0.000 0.620 319 A CB -0.736 18.282 19.000 0.031 0.000 0.822 319 A HN 0.114 nan 8.150 nan 0.000 0.443 320 V N -1.129 118.775 119.914 -0.016 0.000 2.407 320 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 320 V C 2.301 178.316 176.094 -0.131 0.000 1.055 320 V CA 1.946 64.166 62.300 -0.133 0.000 1.049 320 V CB -1.034 30.630 31.823 -0.264 0.000 0.662 320 V HN 0.543 nan 8.190 nan 0.000 0.455 321 F N 1.003 120.976 119.950 0.038 0.000 2.134 321 F HA -0.136 4.390 4.527 -0.001 0.000 0.299 321 F C 2.179 178.076 175.800 0.162 0.000 1.097 321 F CA 1.844 59.900 58.000 0.092 0.000 1.264 321 F CB -0.979 38.066 39.000 0.075 0.000 1.001 321 F HN 0.226 nan 8.300 nan 0.000 0.479 322 N N -0.876 117.999 118.700 0.292 0.000 2.364 322 N HA 0.001 4.741 4.740 -0.001 0.000 0.183 322 N C 1.392 177.063 175.510 0.269 0.000 1.022 322 N CA 0.811 53.993 53.050 0.220 0.000 0.883 322 N CB -0.178 38.387 38.487 0.131 0.000 0.965 322 N HN 0.397 nan 8.380 nan 0.000 0.438 323 G N -0.462 108.486 108.800 0.246 0.000 2.159 323 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.170 323 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.170 323 G C 0.079 175.023 174.900 0.073 0.000 1.007 323 G CA -0.173 45.078 45.100 0.253 0.000 0.672 323 G HN 0.480 nan 8.290 nan 0.000 0.507 324 A N 0.104 122.945 122.820 0.034 0.000 2.540 324 A HA 0.490 4.809 4.320 -0.001 0.000 0.239 324 A C 1.107 178.671 177.584 -0.033 0.000 1.061 324 A CA 1.352 53.389 52.037 -0.000 0.000 0.758 324 A CB 0.193 19.188 19.000 -0.008 0.000 0.991 324 A HN 0.269 nan 8.150 nan 0.000 0.502 325 D N 0.312 120.699 120.400 -0.022 0.000 2.137 325 D HA 0.068 4.707 4.640 -0.001 0.000 0.202 325 D C -0.051 176.236 176.300 -0.021 0.000 0.970 325 D CA 1.241 55.227 54.000 -0.024 0.000 0.837 325 D CB 0.102 40.901 40.800 -0.003 0.000 0.981 325 D HN 0.509 nan 8.370 nan 0.000 0.475 326 C N 0.413 119.702 119.300 -0.019 0.000 2.498 326 C HA 0.636 5.095 4.460 -0.001 0.000 0.316 326 C C -0.440 174.535 174.990 -0.025 0.000 1.209 326 C CA -1.103 57.906 59.018 -0.014 0.000 1.518 326 C CB 1.274 29.012 27.740 -0.004 0.000 2.147 326 C HN 0.100 nan 8.230 nan 0.000 0.483 327 V N 2.300 122.204 119.914 -0.016 0.000 2.513 327 V HA 0.719 4.838 4.120 -0.001 0.000 0.299 327 V C -0.424 175.667 176.094 -0.005 0.000 1.035 327 V CA -0.574 61.716 62.300 -0.016 0.000 0.889 327 V CB 1.585 33.402 31.823 -0.011 0.000 0.988 327 V HN 0.957 nan 8.190 nan 0.000 0.440 328 M N 5.240 124.833 119.600 -0.012 0.000 2.326 328 M HA 0.623 5.102 4.480 -0.001 0.000 0.306 328 M C -1.990 174.317 176.300 0.010 0.000 1.054 328 M CA -0.704 54.598 55.300 0.002 0.000 0.922 328 M CB 2.061 34.648 32.600 -0.021 0.000 1.632 328 M HN 0.742 nan 8.290 nan 0.000 0.436 329 L N 3.613 124.853 121.223 0.028 0.000 2.275 329 L HA 0.410 4.749 4.340 -0.001 0.000 0.288 329 L C 0.385 177.276 176.870 0.035 0.000 1.046 329 L CA -0.291 54.565 54.840 0.027 0.000 0.805 329 L CB 1.714 43.792 42.059 0.031 0.000 1.193 329 L HN 0.850 nan 8.230 nan 0.000 0.426 330 S N 1.672 117.388 115.700 0.026 0.000 2.790 330 S HA 0.110 4.580 4.470 -0.001 0.000 0.162 330 S C 1.670 176.285 174.600 0.025 0.000 0.792 330 S CA 0.360 58.581 58.200 0.037 0.000 1.089 330 S CB -0.356 62.864 63.200 0.033 0.000 0.666 330 S HN 0.853 nan 8.310 nan 0.000 0.521 331 G N 1.010 109.814 108.800 0.006 0.000 2.470 331 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.220 331 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.220 331 G C 1.002 175.874 174.900 -0.046 0.000 1.121 331 G CA 0.749 45.837 45.100 -0.021 0.000 0.766 331 G HN 0.485 nan 8.290 nan 0.000 0.553 332 E N 0.125 120.303 120.200 -0.037 0.000 2.160 332 E HA -0.100 4.249 4.350 -0.001 0.000 0.195 332 E C 2.741 179.330 176.600 -0.019 0.000 0.991 332 E CA 1.798 58.173 56.400 -0.042 0.000 0.810 332 E CB -0.121 29.567 29.700 -0.019 0.000 0.742 332 E HN 0.613 nan 8.360 nan 0.000 0.466 333 T N -3.308 111.246 114.554 0.000 0.000 3.018 333 T HA 0.357 4.706 4.350 -0.001 0.000 0.246 333 T C 2.034 176.740 174.700 0.009 0.000 1.026 333 T CA 0.250 62.357 62.100 0.013 0.000 1.081 333 T CB -0.069 68.818 68.868 0.031 0.000 0.970 333 T HN 0.107 nan 8.240 nan 0.000 0.475 334 A N 3.378 126.205 122.820 0.013 0.000 1.883 334 A HA -0.049 4.270 4.320 -0.001 0.000 0.217 334 A C 2.163 179.746 177.584 -0.001 0.000 1.186 334 A CA 1.902 53.951 52.037 0.020 0.000 0.624 334 A CB -0.474 18.543 19.000 0.028 0.000 0.822 334 A HN 0.781 nan 8.150 nan 0.000 0.444 335 K N -1.493 118.890 120.400 -0.029 0.000 2.520 335 K HA 0.330 4.649 4.320 -0.001 0.000 0.206 335 K C 0.655 177.212 176.600 -0.072 0.000 1.122 335 K CA 0.207 56.467 56.287 -0.045 0.000 1.045 335 K CB -0.006 32.465 32.500 -0.049 0.000 0.932 335 K HN 0.251 nan 8.250 nan 0.000 0.571 336 G N 1.513 110.266 108.800 -0.078 0.000 2.594 336 G HA2 0.037 3.996 3.960 -0.001 0.000 0.243 336 G HA3 0.037 3.996 3.960 -0.001 0.000 0.243 336 G C 0.049 174.880 174.900 -0.115 0.000 1.229 336 G CA -0.505 44.533 45.100 -0.103 0.000 0.843 336 G HN 0.155 nan 8.290 nan 0.000 0.578 337 K N -0.377 119.920 120.400 -0.172 0.000 2.243 337 K HA 0.026 4.345 4.320 -0.001 0.000 0.201 337 K C -0.339 175.939 176.600 -0.537 0.000 1.051 337 K CA 0.815 56.876 56.287 -0.377 0.000 0.970 337 K CB 0.166 32.347 32.500 -0.532 0.000 0.755 337 K HN 0.555 nan 8.250 nan 0.000 0.465 338 Y N 0.588 120.877 120.300 -0.018 0.000 2.837 338 Y HA 0.196 4.745 4.550 -0.001 0.000 0.356 338 Y C -1.989 173.910 175.900 -0.002 0.000 1.035 338 Y CA -2.346 55.752 58.100 -0.003 0.000 1.165 338 Y CB 1.065 39.522 38.460 -0.004 0.000 1.147 338 Y HN 0.028 nan 8.280 nan 0.000 0.628 339 P HA 0.008 nan 4.420 nan 0.000 0.230 339 P C 0.696 178.045 177.300 0.080 0.000 1.168 339 P CA 1.027 64.165 63.100 0.065 0.000 0.793 339 P CB 0.783 32.501 31.700 0.029 0.000 0.851 340 N N 0.339 119.097 118.700 0.097 0.000 2.305 340 N HA -0.054 4.685 4.740 -0.001 0.000 0.179 340 N C 1.624 177.204 175.510 0.116 0.000 1.019 340 N CA 0.948 54.053 53.050 0.092 0.000 0.869 340 N CB -0.300 38.236 38.487 0.081 0.000 1.000 340 N HN 0.112 nan 8.380 nan 0.000 0.431 341 E N 0.690 120.985 120.200 0.157 0.000 2.106 341 E HA -0.064 4.285 4.350 -0.001 0.000 0.192 341 E C 1.871 178.584 176.600 0.187 0.000 0.984 341 E CA 0.300 56.806 56.400 0.178 0.000 0.806 341 E CB -0.213 29.578 29.700 0.151 0.000 0.750 341 E HN 0.008 nan 8.360 nan 0.000 0.458 342 V N -0.180 119.816 119.914 0.136 0.000 2.515 342 V HA -0.171 3.948 4.120 -0.001 0.000 0.250 342 V C 1.812 177.974 176.094 0.112 0.000 1.058 342 V CA 1.176 63.536 62.300 0.100 0.000 1.064 342 V CB 0.077 31.937 31.823 0.062 0.000 0.675 342 V HN 0.134 nan 8.190 nan 0.000 0.461 343 V N -0.411 119.563 119.914 0.100 0.000 2.407 343 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 343 V C 2.391 178.533 176.094 0.080 0.000 1.041 343 V CA 2.016 64.363 62.300 0.079 0.000 1.040 343 V CB -0.625 31.235 31.823 0.062 0.000 0.671 343 V HN 0.555 nan 8.190 nan 0.000 0.455 344 Q N -0.919 118.935 119.800 0.089 0.000 2.061 344 Q HA -0.249 4.091 4.340 -0.001 0.000 0.204 344 Q C 2.218 178.233 176.000 0.025 0.000 0.984 344 Q CA 2.356 58.187 55.803 0.047 0.000 0.846 344 Q CB -0.336 28.425 28.738 0.039 0.000 0.902 344 Q HN 0.677 nan 8.270 nan 0.000 0.421 345 Y N 0.286 120.586 120.300 -0.001 0.000 2.207 345 Y HA -0.258 4.291 4.550 -0.001 0.000 0.287 345 Y C 2.381 178.276 175.900 -0.008 0.000 1.156 345 Y CA 1.642 59.738 58.100 -0.008 0.000 1.182 345 Y CB -0.064 38.388 38.460 -0.013 0.000 0.979 345 Y HN 0.182 nan 8.280 nan 0.000 0.521 346 M N -0.759 118.928 119.600 0.144 0.000 2.156 346 M HA -0.132 4.347 4.480 -0.001 0.000 0.264 346 M C 2.331 178.646 176.300 0.026 0.000 1.067 346 M CA 1.813 57.158 55.300 0.075 0.000 1.131 346 M CB -0.144 32.491 32.600 0.059 0.000 1.368 346 M HN 0.193 nan 8.290 nan 0.000 0.416 347 A N 0.522 123.352 122.820 0.016 0.000 1.908 347 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 347 A C 2.221 179.783 177.584 -0.038 0.000 1.181 347 A CA 1.932 53.963 52.037 -0.010 0.000 0.627 347 A CB -0.772 18.227 19.000 -0.002 0.000 0.818 347 A HN 0.606 nan 8.150 nan 0.000 0.445 348 R N -0.653 119.814 120.500 -0.055 0.000 2.073 348 R HA 0.009 4.349 4.340 -0.001 0.000 0.229 348 R C 1.981 178.242 176.300 -0.066 0.000 1.120 348 R CA 1.431 57.477 56.100 -0.089 0.000 0.967 348 R CB -0.332 29.861 30.300 -0.178 0.000 0.862 348 R HN 0.587 nan 8.270 nan 0.000 0.436 349 I N -0.133 120.420 120.570 -0.028 0.000 2.286 349 I HA -0.347 3.822 4.170 -0.001 0.000 0.248 349 I C 2.372 178.461 176.117 -0.047 0.000 1.115 349 I CA 0.793 62.089 61.300 -0.007 0.000 1.392 349 I CB -0.225 37.801 38.000 0.044 0.000 1.065 349 I HN 0.315 nan 8.210 nan 0.000 0.418 350 C N 0.463 119.727 119.300 -0.060 0.000 2.432 350 C HA -0.141 4.318 4.460 -0.001 0.000 0.277 350 C C 2.764 177.670 174.990 -0.140 0.000 1.249 350 C CA 0.616 59.572 59.018 -0.104 0.000 1.725 350 C CB -0.852 26.838 27.740 -0.082 0.000 2.028 350 C HN 0.450 nan 8.230 nan 0.000 0.477 351 L N 0.512 121.665 121.223 -0.116 0.000 1.989 351 L HA -0.198 4.142 4.340 -0.001 0.000 0.211 351 L C 2.732 179.529 176.870 -0.122 0.000 1.071 351 L CA 1.897 56.658 54.840 -0.131 0.000 0.749 351 L CB -0.587 41.413 42.059 -0.100 0.000 0.890 351 L HN 0.315 nan 8.230 nan 0.000 0.431 352 E N 0.045 120.193 120.200 -0.088 0.000 2.058 352 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 352 E C 2.039 178.600 176.600 -0.066 0.000 0.997 352 E CA 1.716 58.083 56.400 -0.055 0.000 0.801 352 E CB -0.219 29.465 29.700 -0.025 0.000 0.746 352 E HN 0.429 nan 8.360 nan 0.000 0.450 353 A N 0.611 123.348 122.820 -0.137 0.000 1.908 353 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 353 A C 2.255 179.569 177.584 -0.449 0.000 1.181 353 A CA 1.918 53.738 52.037 -0.361 0.000 0.627 353 A CB -0.744 17.919 19.000 -0.563 0.000 0.818 353 A HN 0.422 nan 8.150 nan 0.000 0.445 354 Q N -0.273 119.332 119.800 -0.325 0.000 2.119 354 Q HA -0.125 4.214 4.340 -0.001 0.000 0.201 354 Q C 2.118 178.024 176.000 -0.156 0.000 0.972 354 Q CA 1.745 57.385 55.803 -0.271 0.000 0.847 354 Q CB -0.109 28.465 28.738 -0.273 0.000 0.903 354 Q HN 0.606 nan 8.270 nan 0.000 0.433 355 S N 0.213 115.846 115.700 -0.111 0.000 2.387 355 S HA 0.018 4.487 4.470 -0.001 0.000 0.226 355 S C 1.507 176.134 174.600 0.045 0.000 1.026 355 S CA 0.829 59.006 58.200 -0.038 0.000 0.972 355 S CB 0.036 63.216 63.200 -0.034 0.000 0.814 355 S HN 0.481 nan 8.310 nan 0.000 0.477 356 A N 0.600 123.462 122.820 0.071 0.000 2.412 356 A HA 0.472 4.791 4.320 -0.001 0.000 0.253 356 A C 0.149 177.934 177.584 0.335 0.000 1.334 356 A CA -0.161 51.979 52.037 0.172 0.000 0.929 356 A CB -0.307 18.797 19.000 0.173 0.000 0.983 356 A HN 0.334 nan 8.150 nan 0.000 0.508 357 L N -0.776 120.604 121.223 0.261 0.000 2.333 357 L HA 0.572 4.911 4.340 -0.001 0.000 0.269 357 L C -0.597 176.421 176.870 0.246 0.000 1.010 357 L CA -0.666 54.371 54.840 0.328 0.000 0.818 357 L CB 1.718 43.839 42.059 0.104 0.000 1.306 357 L HN 0.145 nan 8.230 nan 0.000 0.430 358 N N 1.539 120.340 118.700 0.168 0.000 2.609 358 N HA 0.197 4.936 4.740 -0.001 0.000 0.234 358 N C 0.238 175.821 175.510 0.123 0.000 1.001 358 N CA -0.118 52.932 53.050 0.001 0.000 0.926 358 N CB 0.808 39.072 38.487 -0.371 0.000 1.130 358 N HN 0.645 nan 8.380 nan 0.000 0.510 359 E N 1.203 121.505 120.200 0.170 0.000 2.153 359 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 359 E C 0.836 177.623 176.600 0.312 0.000 0.988 359 E CA 0.869 57.418 56.400 0.248 0.000 0.811 359 E CB -0.212 29.645 29.700 0.261 0.000 0.746 359 E HN 0.606 nan 8.360 nan 0.000 0.466 360 Y N 1.028 121.291 120.300 -0.061 0.000 2.193 360 Y HA -0.249 4.300 4.550 -0.001 0.000 0.285 360 Y C 1.863 177.741 175.900 -0.036 0.000 1.166 360 Y CA 0.938 58.826 58.100 -0.353 0.000 1.181 360 Y CB -0.485 37.671 38.460 -0.506 0.000 0.976 360 Y HN -0.107 nan 8.280 nan 0.000 0.520 361 V N -0.485 119.383 119.914 -0.077 0.000 2.307 361 V HA -0.295 3.824 4.120 -0.001 0.000 0.245 361 V C 2.257 178.348 176.094 -0.004 0.000 1.045 361 V CA 2.041 64.253 62.300 -0.147 0.000 1.024 361 V CB -1.147 30.613 31.823 -0.106 0.000 0.651 361 V HN 0.332 nan 8.190 nan 0.000 0.449 362 F N -0.273 119.692 119.950 0.025 0.000 2.154 362 F HA -0.239 4.288 4.527 -0.001 0.000 0.301 362 F C 2.169 178.041 175.800 0.119 0.000 1.087 362 F CA 2.205 60.245 58.000 0.067 0.000 1.274 362 F CB -0.383 38.683 39.000 0.109 0.000 1.009 362 F HN 0.200 nan 8.300 nan 0.000 0.485 363 F N 0.897 121.005 119.950 0.263 0.000 2.075 363 F HA -0.225 4.301 4.527 -0.001 0.000 0.297 363 F C 2.371 178.266 175.800 0.158 0.000 1.113 363 F CA 1.883 60.048 58.000 0.274 0.000 1.218 363 F CB -1.008 38.245 39.000 0.421 0.000 0.984 363 F HN -0.121 nan 8.300 nan 0.000 0.472 364 N N 0.049 118.643 118.700 -0.177 0.000 2.120 364 N HA -0.160 4.579 4.740 -0.001 0.000 0.188 364 N C 2.014 177.386 175.510 -0.229 0.000 1.024 364 N CA 1.589 54.452 53.050 -0.311 0.000 0.852 364 N CB -0.273 38.050 38.487 -0.275 0.000 1.003 364 N HN 0.289 nan 8.380 nan 0.000 0.424 365 S N 1.323 116.909 115.700 -0.190 0.000 2.359 365 S HA -0.070 4.399 4.470 -0.001 0.000 0.224 365 S C 2.141 176.632 174.600 -0.181 0.000 1.035 365 S CA 0.797 58.879 58.200 -0.197 0.000 1.018 365 S CB -0.183 62.861 63.200 -0.260 0.000 0.876 365 S HN 0.270 nan 8.310 nan 0.000 0.448 366 I N 1.426 121.891 120.570 -0.174 0.000 2.179 366 I HA -0.209 3.960 4.170 -0.001 0.000 0.242 366 I C 2.605 178.619 176.117 -0.172 0.000 1.088 366 I CA 1.229 62.420 61.300 -0.182 0.000 1.357 366 I CB -0.276 37.609 38.000 -0.192 0.000 1.051 366 I HN 0.237 nan 8.210 nan 0.000 0.409 367 K N 1.241 121.548 120.400 -0.155 0.000 2.063 367 K HA -0.275 4.044 4.320 -0.001 0.000 0.208 367 K C 2.142 178.708 176.600 -0.057 0.000 1.048 367 K CA 1.748 58.009 56.287 -0.042 0.000 0.928 367 K CB 0.001 32.395 32.500 -0.177 0.000 0.713 367 K HN 0.029 nan 8.250 nan 0.000 0.442 368 K N 0.678 121.016 120.400 -0.104 0.000 2.063 368 K HA -0.062 4.257 4.320 -0.001 0.000 0.208 368 K C 1.523 178.089 176.600 -0.056 0.000 1.048 368 K CA 1.147 57.384 56.287 -0.082 0.000 0.928 368 K CB -0.017 32.423 32.500 -0.099 0.000 0.713 368 K HN 0.189 nan 8.250 nan 0.000 0.442 369 L N 1.237 122.422 121.223 -0.062 0.000 2.715 369 L HA 0.082 4.421 4.340 -0.001 0.000 0.238 369 L C -0.134 176.730 176.870 -0.010 0.000 1.212 369 L CA -0.271 54.544 54.840 -0.042 0.000 1.017 369 L CB -0.054 41.967 42.059 -0.064 0.000 1.269 369 L HN 0.106 nan 8.230 nan 0.000 0.452 370 Q N -0.173 119.633 119.800 0.010 0.000 2.256 370 Q HA 0.200 4.540 4.340 -0.001 0.000 0.257 370 Q C -0.327 175.716 176.000 0.071 0.000 0.936 370 Q CA -0.305 55.532 55.803 0.057 0.000 0.903 370 Q CB 1.551 30.346 28.738 0.096 0.000 1.263 370 Q HN 0.159 nan 8.270 nan 0.000 0.440 371 H N 4.296 123.372 119.070 0.010 0.000 3.017 371 H HA 0.067 4.622 4.556 -0.001 0.000 0.276 371 H C -0.375 174.959 175.328 0.009 0.000 1.062 371 H CA -0.207 55.844 56.048 0.004 0.000 1.486 371 H CB 0.417 30.180 29.762 0.001 0.000 1.507 371 H HN 0.368 nan 8.280 nan 0.000 0.508 372 I N 8.459 128.793 120.570 -0.393 0.000 2.416 372 I HA 0.124 4.293 4.170 -0.001 0.000 0.288 372 I C -1.988 173.809 176.117 -0.534 0.000 1.051 372 I CA -2.346 58.763 61.300 -0.317 0.000 1.375 372 I CB 0.442 38.324 38.000 -0.196 0.000 1.407 372 I HN 0.506 nan 8.210 nan 0.000 0.516 373 P HA 0.394 nan 4.420 nan 0.000 0.292 373 P C -0.191 177.094 177.300 -0.025 0.000 1.287 373 P CA -0.635 62.408 63.100 -0.095 0.000 0.800 373 P CB 0.846 32.521 31.700 -0.042 0.000 0.945 374 M N 1.010 120.604 119.600 -0.011 0.000 2.167 374 M HA 0.119 4.598 4.480 -0.001 0.000 0.300 374 M C 1.180 177.490 176.300 0.017 0.000 1.171 374 M CA 0.121 55.436 55.300 0.025 0.000 1.171 374 M CB 0.191 32.805 32.600 0.024 0.000 1.396 374 M HN 0.450 nan 8.290 nan 0.000 0.466 375 S N 0.864 116.574 115.700 0.017 0.000 2.600 375 S HA 0.329 4.799 4.470 -0.001 0.000 0.265 375 S C 0.995 175.587 174.600 -0.013 0.000 1.325 375 S CA -0.348 57.845 58.200 -0.012 0.000 1.002 375 S CB 0.991 64.169 63.200 -0.038 0.000 0.921 375 S HN 0.730 nan 8.310 nan 0.000 0.554 376 A N 1.852 124.659 122.820 -0.022 0.000 1.869 376 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 376 A C 1.928 179.537 177.584 0.041 0.000 1.203 376 A CA 2.006 54.056 52.037 0.022 0.000 0.638 376 A CB -1.358 17.682 19.000 0.067 0.000 0.831 376 A HN 1.010 nan 8.150 nan 0.000 0.450 377 D N -0.814 119.604 120.400 0.029 0.000 2.234 377 D HA -0.150 4.490 4.640 -0.001 0.000 0.205 377 D C 1.711 178.028 176.300 0.027 0.000 0.962 377 D CA 1.266 55.315 54.000 0.081 0.000 0.855 377 D CB -0.581 40.303 40.800 0.139 0.000 0.951 377 D HN 0.721 nan 8.370 nan 0.000 0.500 378 E N 0.943 121.147 120.200 0.006 0.000 2.072 378 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 378 E C 2.160 178.717 176.600 -0.072 0.000 0.982 378 E CA 0.953 57.355 56.400 0.003 0.000 0.803 378 E CB -0.059 29.677 29.700 0.059 0.000 0.755 378 E HN 0.250 nan 8.360 nan 0.000 0.453 379 A N 0.559 123.353 122.820 -0.044 0.000 1.883 379 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 379 A C 2.408 179.944 177.584 -0.080 0.000 1.186 379 A CA 1.623 53.623 52.037 -0.063 0.000 0.624 379 A CB -0.871 18.114 19.000 -0.026 0.000 0.822 379 A HN 0.228 nan 8.150 nan 0.000 0.444 380 V N -0.550 119.335 119.914 -0.048 0.000 2.282 380 V HA -0.388 3.731 4.120 -0.001 0.000 0.249 380 V C 2.706 178.754 176.094 -0.077 0.000 1.057 380 V CA 2.273 64.545 62.300 -0.046 0.000 1.032 380 V CB -1.228 30.585 31.823 -0.016 0.000 0.645 380 V HN 0.742 nan 8.190 nan 0.000 0.447 381 C N -0.784 118.457 119.300 -0.100 0.000 2.453 381 C HA -0.139 4.321 4.460 -0.001 0.000 0.277 381 C C 3.219 178.066 174.990 -0.239 0.000 1.262 381 C CA 1.244 60.184 59.018 -0.130 0.000 1.718 381 C CB -1.040 26.645 27.740 -0.091 0.000 2.031 381 C HN 0.686 nan 8.230 nan 0.000 0.480 382 S N 1.277 116.697 115.700 -0.467 0.000 2.392 382 S HA -0.237 4.232 4.470 -0.001 0.000 0.225 382 S C 2.032 176.613 174.600 -0.032 0.000 1.041 382 S CA 2.615 60.514 58.200 -0.501 0.000 1.100 382 S CB -0.602 62.310 63.200 -0.479 0.000 1.029 382 S HN 0.638 nan 8.310 nan 0.000 0.424 383 S N 1.719 117.400 115.700 -0.032 0.000 2.374 383 S HA -0.075 4.394 4.470 -0.001 0.000 0.227 383 S C 2.214 176.818 174.600 0.007 0.000 1.037 383 S CA 1.267 59.485 58.200 0.030 0.000 1.024 383 S CB -0.902 62.295 63.200 -0.004 0.000 0.861 383 S HN 0.780 nan 8.310 nan 0.000 0.456 384 A N 0.649 123.442 122.820 -0.044 0.000 2.070 384 A HA 0.005 4.324 4.320 -0.001 0.000 0.220 384 A C 2.197 179.714 177.584 -0.111 0.000 1.159 384 A CA 1.166 53.160 52.037 -0.072 0.000 0.656 384 A CB -0.500 18.454 19.000 -0.077 0.000 0.800 384 A HN 0.379 nan 8.150 nan 0.000 0.453 385 V N 0.440 120.286 119.914 -0.115 0.000 2.535 385 V HA -0.170 3.950 4.120 -0.001 0.000 0.246 385 V C 2.328 178.188 176.094 -0.391 0.000 1.045 385 V CA 1.559 63.685 62.300 -0.291 0.000 1.058 385 V CB -0.873 30.791 31.823 -0.265 0.000 0.689 385 V HN 0.775 nan 8.190 nan 0.000 0.461 386 N N 0.693 119.384 118.700 -0.015 0.000 2.149 386 N HA -0.193 4.546 4.740 -0.001 0.000 0.188 386 N C 1.854 177.386 175.510 0.036 0.000 1.019 386 N CA 1.814 54.986 53.050 0.204 0.000 0.857 386 N CB 0.081 38.803 38.487 0.392 0.000 0.997 386 N HN 0.475 nan 8.380 nan 0.000 0.426 387 S N 0.286 115.960 115.700 -0.044 0.000 2.368 387 S HA -0.086 4.383 4.470 -0.001 0.000 0.225 387 S C 2.150 176.658 174.600 -0.154 0.000 1.030 387 S CA 1.032 59.177 58.200 -0.090 0.000 0.999 387 S CB -0.359 62.782 63.200 -0.098 0.000 0.844 387 S HN 0.191 nan 8.310 nan 0.000 0.459 388 V N 0.558 120.330 119.914 -0.237 0.000 2.343 388 V HA -0.192 3.927 4.120 -0.001 0.000 0.247 388 V C 2.019 177.924 176.094 -0.315 0.000 1.051 388 V CA 1.638 63.748 62.300 -0.316 0.000 1.036 388 V CB -0.878 30.669 31.823 -0.460 0.000 0.654 388 V HN 0.437 nan 8.190 nan 0.000 0.451 389 Y N 0.758 120.925 120.300 -0.222 0.000 2.263 389 Y HA -0.118 4.432 4.550 -0.001 0.000 0.292 389 Y C 2.548 178.321 175.900 -0.211 0.000 1.130 389 Y CA 1.284 59.237 58.100 -0.244 0.000 1.179 389 Y CB -0.393 37.876 38.460 -0.318 0.000 0.998 389 Y HN 0.363 nan 8.280 nan 0.000 0.532 390 E N -1.671 118.521 120.200 -0.014 0.000 2.208 390 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 390 E C 1.797 178.341 176.600 -0.092 0.000 0.988 390 E CA 1.380 57.749 56.400 -0.052 0.000 0.828 390 E CB -0.083 29.593 29.700 -0.040 0.000 0.763 390 E HN 0.174 nan 8.360 nan 0.000 0.478 391 T N -0.542 113.930 114.554 -0.138 0.000 3.069 391 T HA 0.057 4.406 4.350 -0.001 0.000 0.252 391 T C 0.252 174.892 174.700 -0.100 0.000 1.053 391 T CA -0.027 61.942 62.100 -0.219 0.000 0.964 391 T CB -0.060 68.561 68.868 -0.410 0.000 1.005 391 T HN 0.013 nan 8.240 nan 0.000 0.532 392 K N 0.985 121.353 120.400 -0.053 0.000 3.012 392 K HA -0.162 4.157 4.320 -0.001 0.000 0.259 392 K C 0.120 176.735 176.600 0.025 0.000 0.989 392 K CA 0.088 56.373 56.287 -0.003 0.000 0.728 392 K CB -1.663 30.858 32.500 0.035 0.000 1.260 392 K HN 0.545 nan 8.250 nan 0.000 0.480 393 A N 1.018 123.827 122.820 -0.018 0.000 2.546 393 A HA -0.003 4.317 4.320 -0.001 0.000 0.243 393 A C 0.952 178.520 177.584 -0.027 0.000 1.063 393 A CA 0.364 52.414 52.037 0.022 0.000 0.757 393 A CB 0.272 19.252 19.000 -0.034 0.000 0.991 393 A HN 0.383 nan 8.150 nan 0.000 0.503 394 K N 0.742 121.144 120.400 0.004 0.000 2.404 394 K HA 0.354 4.673 4.320 -0.001 0.000 0.194 394 K C 0.321 176.868 176.600 -0.089 0.000 1.023 394 K CA 0.890 57.160 56.287 -0.028 0.000 1.094 394 K CB 0.176 32.687 32.500 0.018 0.000 0.841 394 K HN 0.821 nan 8.250 nan 0.000 0.523 395 A N 0.653 123.427 122.820 -0.077 0.000 2.601 395 A HA 0.664 4.983 4.320 -0.001 0.000 0.291 395 A C -1.799 175.739 177.584 -0.078 0.000 1.075 395 A CA -0.733 51.243 52.037 -0.101 0.000 0.671 395 A CB 1.393 20.400 19.000 0.012 0.000 1.277 395 A HN 0.078 nan 8.150 nan 0.000 0.417 396 M N 0.968 120.519 119.600 -0.082 0.000 2.446 396 M HA 0.616 5.095 4.480 -0.001 0.000 0.294 396 M C -1.939 174.348 176.300 -0.022 0.000 1.158 396 M CA -0.682 54.581 55.300 -0.061 0.000 0.899 396 M CB 2.298 34.839 32.600 -0.098 0.000 1.687 396 M HN 0.511 nan 8.290 nan 0.000 0.455 397 V N 3.855 123.765 119.914 -0.006 0.000 2.444 397 V HA 0.599 4.718 4.120 -0.001 0.000 0.294 397 V C -1.114 174.984 176.094 0.007 0.000 1.022 397 V CA -0.698 61.607 62.300 0.008 0.000 0.850 397 V CB 1.864 33.699 31.823 0.020 0.000 0.992 397 V HN 0.630 nan 8.190 nan 0.000 0.426 398 V N 7.206 127.122 119.914 0.003 0.000 2.604 398 V HA 0.606 4.725 4.120 -0.001 0.000 0.305 398 V C -0.720 175.378 176.094 0.006 0.000 1.043 398 V CA -0.555 61.752 62.300 0.012 0.000 0.888 398 V CB 2.024 33.853 31.823 0.011 0.000 0.995 398 V HN 0.735 nan 8.190 nan 0.000 0.429 399 L N 5.998 127.234 121.223 0.022 0.000 2.272 399 L HA 0.589 4.928 4.340 -0.001 0.000 0.284 399 L C 0.000 176.880 176.870 0.016 0.000 1.045 399 L CA 0.047 54.885 54.840 -0.003 0.000 0.842 399 L CB 1.241 43.285 42.059 -0.026 0.000 1.224 399 L HN 0.642 nan 8.230 nan 0.000 0.430 400 S N 1.643 117.351 115.700 0.013 0.000 2.647 400 S HA 0.387 4.856 4.470 -0.001 0.000 0.300 400 S C 0.417 175.033 174.600 0.027 0.000 1.129 400 S CA -0.645 57.573 58.200 0.030 0.000 1.029 400 S CB 1.216 64.439 63.200 0.039 0.000 1.007 400 S HN 0.561 nan 8.310 nan 0.000 0.484 401 N N 2.046 120.764 118.700 0.031 0.000 2.197 401 N HA -0.057 4.682 4.740 -0.001 0.000 0.184 401 N C 2.037 177.573 175.510 0.043 0.000 1.030 401 N CA 1.981 55.052 53.050 0.036 0.000 0.851 401 N CB -0.745 37.761 38.487 0.031 0.000 1.003 401 N HN 0.804 nan 8.380 nan 0.000 0.430 402 T N -2.998 111.582 114.554 0.044 0.000 2.821 402 T HA 0.115 4.464 4.350 -0.001 0.000 0.267 402 T C 1.584 176.309 174.700 0.041 0.000 1.046 402 T CA 1.641 63.766 62.100 0.042 0.000 1.139 402 T CB -0.280 68.615 68.868 0.045 0.000 0.871 402 T HN 0.349 nan 8.240 nan 0.000 0.454 403 G N 0.828 109.654 108.800 0.043 0.000 2.284 403 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.201 403 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.201 403 G C 1.136 176.064 174.900 0.047 0.000 0.998 403 G CA 0.269 45.394 45.100 0.041 0.000 0.651 403 G HN 0.431 nan 8.290 nan 0.000 0.489 404 R N 1.132 121.663 120.500 0.051 0.000 2.097 404 R HA -0.111 4.228 4.340 -0.001 0.000 0.236 404 R C 2.791 179.129 176.300 0.064 0.000 1.135 404 R CA 2.167 58.301 56.100 0.056 0.000 0.934 404 R CB -0.662 29.671 30.300 0.055 0.000 0.846 404 R HN 0.483 nan 8.270 nan 0.000 0.431 405 S N 0.939 116.680 115.700 0.068 0.000 2.383 405 S HA -0.175 4.295 4.470 -0.001 0.000 0.229 405 S C 2.137 176.775 174.600 0.062 0.000 1.030 405 S CA 1.252 59.494 58.200 0.070 0.000 1.002 405 S CB -0.310 62.932 63.200 0.071 0.000 0.829 405 S HN 0.486 nan 8.310 nan 0.000 0.467 406 A N 2.285 125.136 122.820 0.052 0.000 1.858 406 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 406 A C 2.256 179.875 177.584 0.058 0.000 1.190 406 A CA 1.449 53.513 52.037 0.044 0.000 0.617 406 A CB -0.553 18.467 19.000 0.034 0.000 0.827 406 A HN 0.417 nan 8.150 nan 0.000 0.443 407 R N -1.293 119.245 120.500 0.063 0.000 2.073 407 R HA -0.120 4.219 4.340 -0.001 0.000 0.234 407 R C 2.089 178.452 176.300 0.105 0.000 1.134 407 R CA 1.440 57.584 56.100 0.073 0.000 0.952 407 R CB -0.643 29.695 30.300 0.064 0.000 0.850 407 R HN 0.452 nan 8.270 nan 0.000 0.433 408 L N 0.867 122.159 121.223 0.115 0.000 2.189 408 L HA -0.172 4.168 4.340 -0.001 0.000 0.214 408 L C 1.953 178.963 176.870 0.234 0.000 1.097 408 L CA 1.520 56.462 54.840 0.171 0.000 0.764 408 L CB -0.182 41.958 42.059 0.135 0.000 0.900 408 L HN -0.036 nan 8.230 nan 0.000 0.436 409 V N -0.618 119.389 119.914 0.155 0.000 2.302 409 V HA -0.172 3.947 4.120 -0.001 0.000 0.243 409 V C 2.676 178.886 176.094 0.193 0.000 1.036 409 V CA 1.388 63.777 62.300 0.148 0.000 1.020 409 V CB -1.130 30.729 31.823 0.059 0.000 0.657 409 V HN 0.542 nan 8.190 nan 0.000 0.453 410 A N -0.219 122.679 122.820 0.130 0.000 2.084 410 A HA -0.301 4.018 4.320 -0.001 0.000 0.221 410 A C 2.268 179.935 177.584 0.138 0.000 1.161 410 A CA 2.189 54.290 52.037 0.107 0.000 0.653 410 A CB -0.606 18.436 19.000 0.069 0.000 0.802 410 A HN 0.561 nan 8.150 nan 0.000 0.457 411 K N -1.433 119.077 120.400 0.183 0.000 2.103 411 K HA -0.168 4.151 4.320 -0.001 0.000 0.207 411 K C 0.821 177.453 176.600 0.052 0.000 1.048 411 K CA 1.672 58.023 56.287 0.106 0.000 0.930 411 K CB -0.260 32.305 32.500 0.109 0.000 0.716 411 K HN 0.618 nan 8.250 nan 0.000 0.444 412 Y N 0.865 121.296 120.300 0.218 0.000 2.493 412 Y HA 0.233 4.782 4.550 -0.001 0.000 0.275 412 Y C -0.338 175.811 175.900 0.415 0.000 1.183 412 Y CA -0.533 57.801 58.100 0.390 0.000 1.258 412 Y CB 0.505 39.255 38.460 0.484 0.000 1.108 412 Y HN -0.078 nan 8.280 nan 0.000 0.521 413 R N 0.368 121.058 120.500 0.316 0.000 2.974 413 R HA -0.158 4.181 4.340 -0.001 0.000 0.258 413 R C -2.994 173.429 176.300 0.205 0.000 0.892 413 R CA 0.157 56.388 56.100 0.219 0.000 0.664 413 R CB -1.697 28.741 30.300 0.231 0.000 1.478 413 R HN 0.283 nan 8.270 nan 0.000 0.498 414 P HA 0.025 nan 4.420 nan 0.000 0.274 414 P C 0.346 177.590 177.300 -0.093 0.000 1.246 414 P CA -0.291 62.650 63.100 -0.265 0.000 0.795 414 P CB 0.444 31.951 31.700 -0.323 0.000 1.006 415 N N -0.298 118.282 118.700 -0.201 0.000 2.313 415 N HA 0.032 4.772 4.740 -0.001 0.000 0.207 415 N C 0.030 175.572 175.510 0.053 0.000 1.141 415 N CA -0.356 52.731 53.050 0.062 0.000 0.830 415 N CB -1.138 37.474 38.487 0.209 0.000 1.008 415 N HN 0.440 nan 8.380 nan 0.000 0.481 416 C N -1.997 117.243 119.300 -0.100 0.000 2.971 416 C HA 0.775 5.234 4.460 -0.001 0.000 0.310 416 C C -2.958 171.671 174.990 -0.601 0.000 1.285 416 C CA -2.139 56.701 59.018 -0.297 0.000 1.593 416 C CB 1.579 29.156 27.740 -0.272 0.000 2.076 416 C HN 0.009 nan 8.230 nan 0.000 0.472 417 P HA 0.366 nan 4.420 nan 0.000 0.271 417 P C -0.791 176.261 177.300 -0.413 0.000 1.216 417 P CA 0.244 62.743 63.100 -1.001 0.000 0.776 417 P CB 0.232 31.120 31.700 -1.353 0.000 0.881 418 I N 2.736 123.173 120.570 -0.221 0.000 2.306 418 I HA 0.157 4.326 4.170 -0.001 0.000 0.288 418 I C -0.159 175.937 176.117 -0.035 0.000 1.036 418 I CA -0.846 60.395 61.300 -0.098 0.000 1.221 418 I CB 1.015 38.983 38.000 -0.053 0.000 1.385 418 I HN -0.025 nan 8.210 nan 0.000 0.472 419 V N 5.998 125.913 119.914 0.001 0.000 2.432 419 V HA 0.097 4.216 4.120 -0.001 0.000 0.271 419 V C 0.092 176.172 176.094 -0.024 0.000 1.046 419 V CA -0.404 61.908 62.300 0.020 0.000 0.945 419 V CB 1.266 33.154 31.823 0.110 0.000 0.992 419 V HN 0.845 nan 8.190 nan 0.000 0.471 420 C N 6.906 126.172 119.300 -0.056 0.000 2.281 420 C HA 0.670 5.129 4.460 -0.001 0.000 0.323 420 C C -0.043 174.913 174.990 -0.057 0.000 1.270 420 C CA -0.390 58.604 59.018 -0.039 0.000 1.559 420 C CB 0.240 27.969 27.740 -0.018 0.000 2.239 420 C HN 0.699 nan 8.230 nan 0.000 0.488 421 V N 6.611 126.497 119.914 -0.047 0.000 2.348 421 V HA 0.519 4.638 4.120 -0.001 0.000 0.270 421 V C 0.589 176.664 176.094 -0.032 0.000 1.037 421 V CA 0.279 62.548 62.300 -0.052 0.000 0.872 421 V CB 1.321 33.092 31.823 -0.088 0.000 1.002 421 V HN 0.969 nan 8.190 nan 0.000 0.464 422 T N 2.317 116.880 114.554 0.015 0.000 2.893 422 T HA 0.346 4.696 4.350 -0.001 0.000 0.293 422 T C 1.080 175.830 174.700 0.083 0.000 1.027 422 T CA 0.232 62.360 62.100 0.046 0.000 0.988 422 T CB 1.834 70.743 68.868 0.068 0.000 1.043 422 T HN 0.826 nan 8.240 nan 0.000 0.461 423 T N 1.803 116.398 114.554 0.069 0.000 3.043 423 T HA 0.218 4.567 4.350 -0.001 0.000 0.263 423 T C 0.762 175.563 174.700 0.169 0.000 1.094 423 T CA 0.335 62.459 62.100 0.040 0.000 1.127 423 T CB -0.065 68.828 68.868 0.042 0.000 0.905 423 T HN 0.509 nan 8.240 nan 0.000 0.490 424 R N 0.707 121.333 120.500 0.210 0.000 2.229 424 R HA 0.478 4.817 4.340 -0.001 0.000 0.328 424 R C 0.621 177.069 176.300 0.247 0.000 1.009 424 R CA -0.578 55.659 56.100 0.229 0.000 0.864 424 R CB 1.271 31.636 30.300 0.108 0.000 1.085 424 R HN 0.043 nan 8.270 nan 0.000 0.453 425 L N 3.007 124.326 121.223 0.160 0.000 2.141 425 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 425 L C 2.283 179.101 176.870 -0.086 0.000 1.094 425 L CA 1.828 56.576 54.840 -0.154 0.000 0.763 425 L CB -0.362 41.351 42.059 -0.577 0.000 0.908 425 L HN 0.681 nan 8.230 nan 0.000 0.437 426 Q N -1.166 118.610 119.800 -0.041 0.000 2.084 426 Q HA -0.217 4.122 4.340 -0.001 0.000 0.202 426 Q C 1.825 177.819 176.000 -0.009 0.000 0.978 426 Q CA 2.296 58.079 55.803 -0.034 0.000 0.844 426 Q CB -0.076 28.648 28.738 -0.024 0.000 0.898 426 Q HN 0.549 nan 8.270 nan 0.000 0.426 427 T N 0.126 114.692 114.554 0.020 0.000 2.849 427 T HA -0.174 4.175 4.350 -0.001 0.000 0.270 427 T C 1.931 176.645 174.700 0.025 0.000 1.066 427 T CA 1.254 63.372 62.100 0.029 0.000 1.130 427 T CB -0.431 68.465 68.868 0.048 0.000 0.864 427 T HN 0.426 nan 8.240 nan 0.000 0.481 428 C N 1.404 120.718 119.300 0.023 0.000 2.446 428 C HA 0.006 4.466 4.460 -0.001 0.000 0.277 428 C C 2.842 177.832 174.990 -0.001 0.000 1.275 428 C CA 0.221 59.246 59.018 0.012 0.000 1.727 428 C CB -0.964 26.781 27.740 0.008 0.000 2.010 428 C HN 0.560 nan 8.230 nan 0.000 0.486 429 R N 0.546 121.037 120.500 -0.015 0.000 2.062 429 R HA -0.099 4.240 4.340 -0.001 0.000 0.229 429 R C 2.270 178.570 176.300 -0.000 0.000 1.128 429 R CA 1.000 57.091 56.100 -0.015 0.000 0.960 429 R CB -0.415 29.864 30.300 -0.035 0.000 0.855 429 R HN 0.631 nan 8.270 nan 0.000 0.432 430 Q N 0.509 120.309 119.800 0.000 0.000 2.439 430 Q HA -0.054 4.285 4.340 -0.001 0.000 0.211 430 Q C 1.702 177.718 176.000 0.027 0.000 0.978 430 Q CA 0.781 56.591 55.803 0.012 0.000 0.897 430 Q CB 0.149 28.892 28.738 0.009 0.000 0.956 430 Q HN 0.397 nan 8.270 nan 0.000 0.483 431 L N 0.049 121.287 121.223 0.026 0.000 2.592 431 L HA 0.023 4.362 4.340 -0.001 0.000 0.227 431 L C 0.799 177.691 176.870 0.037 0.000 1.127 431 L CA -0.119 54.739 54.840 0.032 0.000 0.884 431 L CB 0.086 42.161 42.059 0.026 0.000 1.065 431 L HN 0.087 nan 8.230 nan 0.000 0.457 432 N N 0.593 119.315 118.700 0.037 0.000 2.575 432 N HA -0.043 4.696 4.740 -0.001 0.000 0.192 432 N C 1.353 176.897 175.510 0.057 0.000 1.200 432 N CA 0.637 53.715 53.050 0.045 0.000 0.897 432 N CB 0.082 38.593 38.487 0.040 0.000 0.990 432 N HN 0.527 nan 8.380 nan 0.000 0.449 433 I N -5.150 115.456 120.570 0.061 0.000 4.154 433 I HA 0.292 4.461 4.170 -0.001 0.000 0.334 433 I C -0.479 175.669 176.117 0.051 0.000 1.371 433 I CA -0.177 61.164 61.300 0.069 0.000 1.110 433 I CB 0.463 38.526 38.000 0.105 0.000 1.085 433 I HN -0.280 nan 8.210 nan 0.000 0.398 434 T N 3.000 117.582 114.554 0.046 0.000 2.795 434 T HA 0.225 4.575 4.350 -0.001 0.000 0.282 434 T C -0.155 174.566 174.700 0.034 0.000 0.980 434 T CA -0.355 61.768 62.100 0.039 0.000 1.012 434 T CB 1.536 70.430 68.868 0.043 0.000 0.936 434 T HN 0.265 nan 8.240 nan 0.000 0.457 435 Q N 2.011 121.824 119.800 0.022 0.000 2.361 435 Q HA 0.174 4.513 4.340 -0.001 0.000 0.276 435 Q C 0.967 176.989 176.000 0.037 0.000 1.022 435 Q CA 1.045 56.856 55.803 0.014 0.000 0.898 435 Q CB 0.172 28.895 28.738 -0.025 0.000 1.246 435 Q HN 1.139 nan 8.270 nan 0.000 0.410 436 G N 2.413 111.254 108.800 0.068 0.000 2.273 436 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.280 436 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.280 436 G C -0.442 174.500 174.900 0.071 0.000 1.047 436 G CA 0.331 45.511 45.100 0.132 0.000 0.869 436 G HN 0.550 nan 8.290 nan 0.000 0.502 437 V N -0.777 119.174 119.914 0.062 0.000 2.656 437 V HA 0.689 4.809 4.120 -0.001 0.000 0.307 437 V C -0.045 176.082 176.094 0.055 0.000 1.051 437 V CA -0.881 61.441 62.300 0.036 0.000 0.893 437 V CB 2.149 33.989 31.823 0.029 0.000 0.999 437 V HN 0.376 nan 8.190 nan 0.000 0.426 438 E N 1.481 121.708 120.200 0.045 0.000 2.248 438 E HA 0.634 4.983 4.350 -0.001 0.000 0.267 438 E C -1.150 175.386 176.600 -0.106 0.000 0.877 438 E CA -0.444 55.977 56.400 0.035 0.000 0.759 438 E CB 2.191 32.013 29.700 0.203 0.000 1.182 438 E HN 0.714 nan 8.360 nan 0.000 0.418 439 S N 1.342 116.959 115.700 -0.138 0.000 2.475 439 S HA 0.512 4.981 4.470 -0.001 0.000 0.298 439 S C -0.617 173.829 174.600 -0.257 0.000 1.119 439 S CA -0.808 57.306 58.200 -0.144 0.000 1.085 439 S CB 1.436 64.610 63.200 -0.043 0.000 1.028 439 S HN 0.232 nan 8.310 nan 0.000 0.489 440 V N 3.627 123.409 119.914 -0.221 0.000 2.444 440 V HA 0.373 4.492 4.120 -0.001 0.000 0.294 440 V C -0.772 175.346 176.094 0.040 0.000 1.022 440 V CA -0.768 61.423 62.300 -0.182 0.000 0.850 440 V CB 1.048 32.697 31.823 -0.289 0.000 0.992 440 V HN 0.868 nan 8.190 nan 0.000 0.426 441 F N 6.334 126.258 119.950 -0.042 0.000 2.471 441 F HA 0.466 4.992 4.527 -0.001 0.000 0.365 441 F C -0.463 175.376 175.800 0.065 0.000 1.095 441 F CA -1.040 56.965 58.000 0.008 0.000 1.174 441 F CB 0.452 39.441 39.000 -0.018 0.000 1.105 441 F HN 0.463 nan 8.300 nan 0.000 0.535 442 F N 7.054 126.638 119.950 -0.610 0.000 2.334 442 F HA 0.248 4.774 4.527 -0.001 0.000 0.367 442 F C 0.136 175.367 175.800 -0.948 0.000 1.115 442 F CA -0.843 56.808 58.000 -0.582 0.000 1.116 442 F CB -0.005 38.813 39.000 -0.302 0.000 1.230 442 F HN 0.384 nan 8.300 nan 0.000 0.484 443 D N 5.046 124.643 120.400 -1.340 0.000 2.349 443 D HA 0.110 4.749 4.640 -0.001 0.000 0.266 443 D C 0.870 176.717 176.300 -0.755 0.000 1.293 443 D CA 0.458 53.850 54.000 -1.013 0.000 0.926 443 D CB 1.526 42.021 40.800 -0.508 0.000 1.090 443 D HN 0.747 nan 8.370 nan 0.000 0.502 444 A N 3.879 126.436 122.820 -0.439 0.000 1.970 444 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 444 A C 1.486 178.953 177.584 -0.196 0.000 1.170 444 A CA 0.761 52.645 52.037 -0.255 0.000 0.645 444 A CB 0.179 19.084 19.000 -0.158 0.000 0.816 444 A HN 0.429 nan 8.150 nan 0.000 0.447 445 D N -0.788 119.525 120.400 -0.146 0.000 2.340 445 D HA 0.042 4.681 4.640 -0.001 0.000 0.220 445 D C 1.267 177.516 176.300 -0.086 0.000 1.039 445 D CA 1.040 54.992 54.000 -0.080 0.000 0.866 445 D CB 0.201 40.982 40.800 -0.031 0.000 0.913 445 D HN 0.807 nan 8.370 nan 0.000 0.523 446 K N -0.720 119.592 120.400 -0.148 0.000 2.585 446 K HA 0.231 4.550 4.320 -0.001 0.000 0.210 446 K C 0.542 177.029 176.600 -0.189 0.000 1.294 446 K CA -0.053 56.153 56.287 -0.136 0.000 1.025 446 K CB 0.269 32.705 32.500 -0.108 0.000 1.076 446 K HN -0.022 nan 8.250 nan 0.000 0.613 447 L N 0.968 122.027 121.223 -0.273 0.000 3.086 447 L HA 0.398 4.737 4.340 -0.001 0.000 0.274 447 L C 0.320 177.094 176.870 -0.161 0.000 1.184 447 L CA 0.048 54.706 54.840 -0.304 0.000 1.002 447 L CB 1.400 43.092 42.059 -0.611 0.000 1.383 447 L HN 0.482 nan 8.230 nan 0.000 0.582 448 G N -0.715 108.033 108.800 -0.088 0.000 2.730 448 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.686 448 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.686 448 G C 0.224 175.199 174.900 0.125 0.000 1.343 448 G CA -0.261 44.862 45.100 0.039 0.000 0.826 448 G HN 0.166 nan 8.290 nan 0.000 0.582 449 H N 0.614 119.715 119.070 0.052 0.000 2.319 449 H HA -0.089 4.466 4.556 -0.001 0.000 0.299 449 H C 1.598 176.976 175.328 0.084 0.000 1.092 449 H CA 2.305 58.393 56.048 0.066 0.000 1.302 449 H CB 0.082 29.862 29.762 0.030 0.000 1.373 449 H HN 0.844 nan 8.280 nan 0.000 0.497 450 D N 0.930 121.447 120.400 0.195 0.000 2.927 450 D HA -0.128 4.511 4.640 -0.001 0.000 0.236 450 D C 0.986 177.310 176.300 0.040 0.000 1.163 450 D CA 0.687 54.756 54.000 0.115 0.000 0.801 450 D CB -0.639 40.223 40.800 0.103 0.000 0.975 450 D HN 0.640 nan 8.370 nan 0.000 0.413 451 E N 0.271 120.504 120.200 0.055 0.000 2.511 451 E HA 0.025 4.375 4.350 -0.001 0.000 0.196 451 E C 1.699 178.284 176.600 -0.025 0.000 1.066 451 E CA 0.817 57.227 56.400 0.016 0.000 0.871 451 E CB -0.121 29.597 29.700 0.030 0.000 0.863 451 E HN 0.486 nan 8.360 nan 0.000 0.520 452 G N 1.521 110.303 108.800 -0.030 0.000 2.939 452 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.210 452 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.210 452 G C 0.745 175.560 174.900 -0.142 0.000 1.160 452 G CA -0.047 45.016 45.100 -0.062 0.000 0.770 452 G HN 0.103 nan 8.290 nan 0.000 0.543 453 K N -0.421 119.870 120.400 -0.182 0.000 3.572 453 K HA -0.279 4.040 4.320 -0.001 0.000 0.306 453 K C 1.314 177.738 176.600 -0.293 0.000 1.286 453 K CA 1.741 57.840 56.287 -0.313 0.000 1.010 453 K CB -1.325 30.842 32.500 -0.555 0.000 1.268 453 K HN 0.588 nan 8.250 nan 0.000 0.438 454 E N 0.377 120.444 120.200 -0.221 0.000 2.058 454 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 454 E C 1.768 178.211 176.600 -0.260 0.000 0.997 454 E CA 1.814 58.065 56.400 -0.249 0.000 0.801 454 E CB -0.279 29.243 29.700 -0.297 0.000 0.746 454 E HN 0.603 nan 8.360 nan 0.000 0.450 455 H N -0.072 118.921 119.070 -0.129 0.000 2.428 455 H HA 0.095 4.650 4.556 -0.001 0.000 0.296 455 H C 2.093 177.321 175.328 -0.165 0.000 1.062 455 H CA 0.931 56.934 56.048 -0.076 0.000 1.350 455 H CB 0.204 29.991 29.762 0.041 0.000 1.403 455 H HN -0.012 nan 8.280 nan 0.000 0.533 456 R N -0.029 120.283 120.500 -0.313 0.000 2.062 456 R HA -0.083 4.256 4.340 -0.001 0.000 0.231 456 R C 2.275 178.438 176.300 -0.228 0.000 1.136 456 R CA 1.301 57.097 56.100 -0.507 0.000 0.948 456 R CB -0.509 29.344 30.300 -0.745 0.000 0.845 456 R HN 0.126 nan 8.270 nan 0.000 0.430 457 V N 1.382 121.173 119.914 -0.203 0.000 2.282 457 V HA -0.301 3.818 4.120 -0.001 0.000 0.249 457 V C 2.411 178.471 176.094 -0.056 0.000 1.057 457 V CA 2.161 64.391 62.300 -0.117 0.000 1.032 457 V CB -0.733 31.016 31.823 -0.123 0.000 0.645 457 V HN 0.462 nan 8.190 nan 0.000 0.447 458 A N -0.699 122.087 122.820 -0.057 0.000 2.066 458 A HA 0.086 4.405 4.320 -0.001 0.000 0.218 458 A C 2.324 179.925 177.584 0.028 0.000 1.157 458 A CA 1.620 53.647 52.037 -0.015 0.000 0.670 458 A CB -0.479 18.504 19.000 -0.029 0.000 0.804 458 A HN 0.571 nan 8.150 nan 0.000 0.453 459 A N -0.371 122.471 122.820 0.038 0.000 1.897 459 A HA 0.223 4.542 4.320 -0.001 0.000 0.215 459 A C 2.355 179.998 177.584 0.099 0.000 1.181 459 A CA 1.583 53.674 52.037 0.090 0.000 0.620 459 A CB -1.228 17.856 19.000 0.139 0.000 0.821 459 A HN 0.636 nan 8.150 nan 0.000 0.443 460 G N -0.413 108.421 108.800 0.057 0.000 2.418 460 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.217 460 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.217 460 G C 1.455 176.437 174.900 0.137 0.000 1.158 460 G CA 1.284 46.432 45.100 0.082 0.000 0.771 460 G HN 0.312 nan 8.290 nan 0.000 0.545 461 V N 0.669 120.634 119.914 0.084 0.000 2.515 461 V HA -0.109 4.010 4.120 -0.001 0.000 0.250 461 V C 2.623 178.760 176.094 0.072 0.000 1.058 461 V CA 2.095 64.438 62.300 0.073 0.000 1.064 461 V CB -0.106 31.738 31.823 0.035 0.000 0.675 461 V HN 0.422 nan 8.190 nan 0.000 0.461 462 E N 0.321 120.569 120.200 0.081 0.000 2.072 462 E HA -0.214 4.135 4.350 -0.001 0.000 0.191 462 E C 1.895 178.535 176.600 0.066 0.000 0.985 462 E CA 1.370 57.807 56.400 0.061 0.000 0.801 462 E CB -0.464 29.278 29.700 0.069 0.000 0.750 462 E HN 0.513 nan 8.360 nan 0.000 0.452 463 F N 0.746 120.690 119.950 -0.009 0.000 2.095 463 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 463 F C 2.070 177.824 175.800 -0.077 0.000 1.104 463 F CA 1.945 59.930 58.000 -0.025 0.000 1.232 463 F CB -0.691 38.318 39.000 0.014 0.000 0.987 463 F HN 0.118 nan 8.300 nan 0.000 0.475 464 A N 0.301 123.178 122.820 0.094 0.000 1.883 464 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 464 A C 2.322 179.798 177.584 -0.180 0.000 1.186 464 A CA 1.852 53.893 52.037 0.007 0.000 0.624 464 A CB -0.746 18.355 19.000 0.169 0.000 0.822 464 A HN 0.394 nan 8.150 nan 0.000 0.444 465 K N 0.118 120.454 120.400 -0.106 0.000 2.097 465 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 465 K C 2.479 178.963 176.600 -0.192 0.000 1.049 465 K CA 1.633 57.850 56.287 -0.116 0.000 0.933 465 K CB -0.228 32.235 32.500 -0.061 0.000 0.717 465 K HN 0.716 nan 8.250 nan 0.000 0.442 466 S N 0.739 116.288 115.700 -0.253 0.000 2.371 466 S HA -0.021 4.448 4.470 -0.001 0.000 0.224 466 S C 1.780 176.136 174.600 -0.406 0.000 1.029 466 S CA 0.679 58.710 58.200 -0.282 0.000 0.978 466 S CB -0.009 63.039 63.200 -0.253 0.000 0.833 466 S HN 0.037 nan 8.310 nan 0.000 0.466 467 K N 1.447 121.441 120.400 -0.677 0.000 2.525 467 K HA 0.144 4.463 4.320 -0.001 0.000 0.192 467 K C 1.060 177.240 176.600 -0.700 0.000 1.029 467 K CA 0.584 56.379 56.287 -0.820 0.000 1.029 467 K CB -0.723 30.983 32.500 -1.324 0.000 0.814 467 K HN 0.674 nan 8.250 nan 0.000 0.503 468 G N 1.621 110.138 108.800 -0.472 0.000 2.324 468 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.292 468 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.292 468 G C 0.204 175.052 174.900 -0.085 0.000 1.079 468 G CA 0.246 45.211 45.100 -0.225 0.000 1.026 468 G HN 0.216 nan 8.290 nan 0.000 0.506 469 Y N -1.048 119.209 120.300 -0.071 0.000 2.353 469 Y HA 0.355 4.904 4.550 -0.001 0.000 0.294 469 Y C 1.800 177.672 175.900 -0.045 0.000 1.135 469 Y CA 0.198 58.263 58.100 -0.058 0.000 1.176 469 Y CB -0.262 38.147 38.460 -0.084 0.000 1.124 469 Y HN 0.718 nan 8.280 nan 0.000 0.537 470 V N -0.904 119.073 119.914 0.105 0.000 2.715 470 V HA 0.567 4.686 4.120 -0.001 0.000 0.310 470 V C -0.441 175.651 176.094 -0.004 0.000 1.054 470 V CA -1.174 61.150 62.300 0.040 0.000 0.928 470 V CB 1.937 33.780 31.823 0.032 0.000 1.007 470 V HN 0.149 nan 8.190 nan 0.000 0.437 471 Q N 1.025 120.815 119.800 -0.017 0.000 2.738 471 Q HA 0.478 4.818 4.340 -0.001 0.000 0.197 471 Q C -0.459 175.514 176.000 -0.044 0.000 1.012 471 Q CA -0.835 54.949 55.803 -0.031 0.000 0.968 471 Q CB 0.967 29.689 28.738 -0.027 0.000 1.590 471 Q HN 0.829 nan 8.270 nan 0.000 0.490 472 T N 0.666 115.192 114.554 -0.047 0.000 2.723 472 T HA 0.406 4.756 4.350 -0.001 0.000 0.297 472 T C 0.510 175.164 174.700 -0.077 0.000 0.925 472 T CA 0.528 62.594 62.100 -0.056 0.000 1.030 472 T CB 0.186 69.027 68.868 -0.045 0.000 0.905 472 T HN 0.871 nan 8.240 nan 0.000 0.502 473 G N 3.192 111.927 108.800 -0.109 0.000 2.154 473 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.186 473 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.186 473 G C -0.333 174.415 174.900 -0.253 0.000 1.000 473 G CA -0.697 44.302 45.100 -0.168 0.000 0.664 473 G HN 0.609 nan 8.290 nan 0.000 0.513 474 D N -0.557 119.721 120.400 -0.203 0.000 2.332 474 D HA 0.603 5.243 4.640 -0.001 0.000 0.252 474 D C -0.014 176.136 176.300 -0.250 0.000 1.050 474 D CA -0.151 53.727 54.000 -0.203 0.000 0.970 474 D CB 0.601 41.362 40.800 -0.065 0.000 1.141 474 D HN 0.095 nan 8.370 nan 0.000 0.485 475 Y N -0.082 120.206 120.300 -0.019 0.000 2.308 475 Y HA 0.350 4.899 4.550 -0.001 0.000 0.329 475 Y C 0.348 176.228 175.900 -0.034 0.000 1.111 475 Y CA -0.618 57.465 58.100 -0.027 0.000 1.179 475 Y CB 1.352 39.791 38.460 -0.035 0.000 1.201 475 Y HN 0.186 nan 8.280 nan 0.000 0.483 476 C N 4.206 123.595 119.300 0.147 0.000 2.535 476 C HA 0.815 5.275 4.460 -0.001 0.000 0.319 476 C C -1.116 173.901 174.990 0.045 0.000 1.171 476 C CA -0.648 58.408 59.018 0.064 0.000 1.394 476 C CB -0.220 27.546 27.740 0.043 0.000 1.990 476 C HN 0.623 nan 8.230 nan 0.000 0.466 477 V N 6.327 126.241 119.914 0.001 0.000 2.427 477 V HA 0.603 4.722 4.120 -0.001 0.000 0.286 477 V C -0.171 175.914 176.094 -0.016 0.000 1.034 477 V CA -0.398 61.889 62.300 -0.022 0.000 0.893 477 V CB 1.428 33.211 31.823 -0.065 0.000 0.982 477 V HN 0.704 nan 8.190 nan 0.000 0.452 478 V N 6.385 126.296 119.914 -0.005 0.000 2.444 478 V HA 0.551 4.671 4.120 -0.001 0.000 0.294 478 V C -0.335 175.758 176.094 -0.001 0.000 1.022 478 V CA -0.335 61.979 62.300 0.023 0.000 0.850 478 V CB 1.662 33.526 31.823 0.067 0.000 0.992 478 V HN 0.720 nan 8.190 nan 0.000 0.426 479 I N 5.613 126.187 120.570 0.007 0.000 2.530 479 I HA 0.808 4.978 4.170 -0.001 0.000 0.297 479 I C -0.253 175.877 176.117 0.023 0.000 1.011 479 I CA -0.330 60.936 61.300 -0.056 0.000 1.107 479 I CB 1.887 39.863 38.000 -0.040 0.000 1.285 479 I HN 1.008 nan 8.210 nan 0.000 0.436 489 A N 1.645 124.560 122.820 0.158 0.000 2.302 489 A HA 0.488 4.807 4.320 -0.001 0.000 0.295 489 A C -0.105 177.514 177.584 0.058 0.000 1.235 489 A CA -0.013 52.051 52.037 0.046 0.000 0.876 489 A CB -1.013 18.018 19.000 0.052 0.000 1.133 489 A HN 0.968 nan 8.150 nan 0.000 0.533 490 N N 1.353 120.010 118.700 -0.071 0.000 2.232 490 N HA 0.153 4.892 4.740 -0.001 0.000 0.240 490 N C -0.326 175.124 175.510 -0.101 0.000 1.307 490 N CA -0.356 52.669 53.050 -0.042 0.000 0.859 490 N CB 0.454 38.911 38.487 -0.051 0.000 1.260 490 N HN 0.632 nan 8.380 nan 0.000 0.501 491 Q N 1.116 120.806 119.800 -0.183 0.000 2.305 491 Q HA 0.311 4.650 4.340 -0.001 0.000 0.271 491 Q C -1.842 173.974 176.000 -0.307 0.000 1.046 491 Q CA -0.520 55.134 55.803 -0.249 0.000 0.798 491 Q CB 2.477 31.019 28.738 -0.327 0.000 1.286 491 Q HN 0.136 nan 8.270 nan 0.000 0.435 492 T N 3.171 117.606 114.554 -0.199 0.000 2.886 492 T HA 0.747 5.096 4.350 -0.001 0.000 0.292 492 T C -1.373 173.260 174.700 -0.111 0.000 1.012 492 T CA -0.457 61.550 62.100 -0.155 0.000 0.982 492 T CB 1.047 69.854 68.868 -0.102 0.000 1.018 492 T HN 0.696 nan 8.240 nan 0.000 0.451 493 R N 3.296 123.748 120.500 -0.080 0.000 2.673 493 R HA 0.645 4.984 4.340 -0.001 0.000 0.281 493 R C -0.976 175.313 176.300 -0.018 0.000 0.991 493 R CA -0.785 55.292 56.100 -0.038 0.000 0.896 493 R CB 2.135 32.430 30.300 -0.008 0.000 1.201 493 R HN 0.554 nan 8.270 nan 0.000 0.457 494 I N 4.388 124.952 120.570 -0.009 0.000 2.362 494 I HA 0.349 4.519 4.170 -0.001 0.000 0.289 494 I C -0.807 175.354 176.117 0.073 0.000 0.994 494 I CA -0.945 60.364 61.300 0.015 0.000 1.158 494 I CB 1.229 39.204 38.000 -0.042 0.000 1.315 494 I HN 0.393 nan 8.210 nan 0.000 0.451 495 L N 5.082 126.368 121.223 0.105 0.000 2.354 495 L HA 0.728 5.067 4.340 -0.001 0.000 0.264 495 L C -0.990 175.942 176.870 0.104 0.000 1.008 495 L CA -0.839 54.059 54.840 0.097 0.000 0.819 495 L CB 1.035 43.121 42.059 0.046 0.000 1.339 495 L HN 0.261 nan 8.230 nan 0.000 0.420 496 L N 2.243 123.489 121.223 0.038 0.000 2.418 496 L HA 0.668 5.007 4.340 -0.001 0.000 0.265 496 L C 0.039 176.876 176.870 -0.056 0.000 1.143 496 L CA -0.081 54.714 54.840 -0.075 0.000 0.809 496 L CB 1.636 43.636 42.059 -0.099 0.000 1.124 496 L HN 0.654 nan 8.230 nan 0.000 0.456 497 V N -0.963 118.902 119.914 -0.082 0.000 2.513 497 V HA 0.615 4.734 4.120 -0.001 0.000 0.299 497 V C -0.136 175.926 176.094 -0.053 0.000 1.035 497 V CA -0.850 61.420 62.300 -0.051 0.000 0.889 497 V CB 1.327 33.127 31.823 -0.039 0.000 0.988 497 V HN 0.774 nan 8.190 nan 0.000 0.440 498 E N 0.000 120.178 120.200 -0.037 0.000 2.725 498 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 498 E CA 0.000 56.379 56.400 -0.034 0.000 0.976 498 E CB 0.000 29.684 29.700 -0.027 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440