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 3aht_1_A DATA FIRST_RESID 6 DATA SEQUENCE WLGGLSRAAF PKRFVFGTVT SAYQVEGMAA SGGRGPSIWD AFAHTPGNVA DATA SEQUENCE GNQNGDVATD QYHRYKEDVN LMKSLNFDAY RFSISWSRIF PDGEGRVNQE DATA SEQUENCE GVAYYNNLIN YLLQKGITPY VNLYHYDLPL ALEKKYGGWL NAKMADLFTE DATA SEQUENCE YADFCFKTFG NRVKHWFTFN QPRIVALLGY DQGTNPPKRC TKCAAGGNSA DATA SEQUENCE TEPYIVAHNF LLSHAAAVAR YRTKYQAAQQ GKVGIVLDFN WYEALSNSTE DATA SEQUENCE DQAAAQRARD FHIGWYLDPL INGHYPQIMQ DLVKDRLPKF TPEQARLVKG DATA SEQUENCE SADYIGINQY TASYMKGQQL MQQTPTSYSA DWQVTYVFAK NGKPIGPQAN DATA SEQUENCE SNWLYIVPWG MYGCVNYIKQ KYGNPTVVIT ENGMDQPANL SRDQYLRDTT DATA SEQUENCE RVHFYRSYLT QLKKAIDEGA NVAGYFAWSL LDNFEWLSGY TSKFGIVYVD DATA SEQUENCE FNTLERHPKA SAYWFRDMLK H 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 6 W HA 0.000 nan 4.660 nan 0.000 0.303 6 W C 0.000 176.726 176.519 0.346 0.000 1.175 6 W CA 0.000 57.461 57.345 0.193 0.000 1.226 6 W CB 0.000 29.547 29.460 0.145 0.000 1.126 7 L N 2.356 123.627 121.223 0.079 0.000 2.529 7 L HA 0.331 4.652 4.340 -0.032 0.000 0.223 7 L C 1.831 178.751 176.870 0.082 0.000 1.113 7 L CA 1.114 55.888 54.840 -0.111 0.000 0.861 7 L CB -0.776 41.137 42.059 -0.242 0.000 1.012 7 L HN 0.253 nan 8.230 nan 0.000 0.461 8 G N 0.724 109.598 108.800 0.123 0.000 2.321 8 G HA2 -0.260 3.681 3.960 -0.032 0.000 0.287 8 G HA3 -0.260 3.681 3.960 -0.032 0.000 0.287 8 G C 1.039 175.973 174.900 0.057 0.000 1.018 8 G CA 0.546 45.708 45.100 0.103 0.000 0.855 8 G HN 0.656 nan 8.290 nan 0.000 0.507 9 G N -2.059 106.759 108.800 0.030 0.000 2.179 9 G HA2 -0.243 3.698 3.960 -0.032 0.000 0.260 9 G HA3 -0.243 3.698 3.960 -0.032 0.000 0.260 9 G C 0.489 175.376 174.900 -0.022 0.000 0.977 9 G CA 0.517 45.617 45.100 -0.000 0.000 0.641 9 G HN 1.295 nan 8.290 nan 0.000 0.533 10 L N 1.257 122.469 121.223 -0.018 0.000 2.371 10 L HA 0.642 4.963 4.340 -0.032 0.000 0.272 10 L C 0.893 177.702 176.870 -0.102 0.000 1.124 10 L CA 0.450 55.281 54.840 -0.014 0.000 0.816 10 L CB 1.492 43.591 42.059 0.066 0.000 1.129 10 L HN 0.709 nan 8.230 nan 0.000 0.448 11 S N 1.526 117.205 115.700 -0.034 0.000 2.656 11 S HA 0.295 4.747 4.470 -0.032 0.000 0.265 11 S C 0.242 174.858 174.600 0.027 0.000 1.110 11 S CA -1.021 57.116 58.200 -0.105 0.000 0.821 11 S CB 1.194 64.335 63.200 -0.098 0.000 1.099 11 S HN 0.585 nan 8.310 nan 0.000 0.471 12 R N 0.243 120.715 120.500 -0.046 0.000 2.120 12 R HA -0.025 4.296 4.340 -0.032 0.000 0.234 12 R C 2.381 178.779 176.300 0.164 0.000 1.123 12 R CA 1.476 57.627 56.100 0.084 0.000 0.975 12 R CB -0.840 29.465 30.300 0.008 0.000 0.866 12 R HN 0.772 nan 8.270 nan 0.000 0.446 13 A N 0.909 123.776 122.820 0.077 0.000 2.070 13 A HA -0.043 4.258 4.320 -0.032 0.000 0.220 13 A C 2.108 179.716 177.584 0.040 0.000 1.159 13 A CA 1.484 53.555 52.037 0.058 0.000 0.656 13 A CB -0.249 18.762 19.000 0.018 0.000 0.800 13 A HN 0.367 nan 8.150 nan 0.000 0.453 14 A N -1.807 121.040 122.820 0.045 0.000 2.238 14 A HA 0.497 4.798 4.320 -0.032 0.000 0.208 14 A C 0.286 177.649 177.584 -0.368 0.000 1.177 14 A CA 0.121 52.075 52.037 -0.138 0.000 0.804 14 A CB -0.227 18.662 19.000 -0.185 0.000 0.823 14 A HN 0.328 nan 8.150 nan 0.000 0.482 15 F N -1.167 118.742 119.950 -0.068 0.000 2.618 15 F HA 0.537 5.045 4.527 -0.031 0.000 0.332 15 F C -2.377 173.391 175.800 -0.054 0.000 1.061 15 F CA -2.770 55.129 58.000 -0.169 0.000 0.974 15 F CB 0.742 39.503 39.000 -0.397 0.000 1.310 15 F HN -0.222 nan 8.300 nan 0.000 0.491 16 P HA 0.067 nan 4.420 nan 0.000 0.268 16 P C -1.144 176.297 177.300 0.236 0.000 1.208 16 P CA -0.394 62.817 63.100 0.186 0.000 0.777 16 P CB 0.351 32.194 31.700 0.239 0.000 0.875 17 K N 3.264 123.768 120.400 0.174 0.000 2.489 17 K HA 0.049 4.350 4.320 -0.032 0.000 0.278 17 K C 0.842 177.554 176.600 0.186 0.000 1.000 17 K CA 0.434 56.820 56.287 0.165 0.000 1.012 17 K CB -0.136 32.434 32.500 0.118 0.000 0.903 17 K HN 0.328 nan 8.250 nan 0.000 0.485 18 R N 0.057 120.670 120.500 0.188 0.000 3.954 18 R HA -0.210 4.111 4.340 -0.032 0.000 0.422 18 R C -0.108 176.289 176.300 0.161 0.000 1.091 18 R CA 0.405 56.599 56.100 0.158 0.000 1.168 18 R CB -2.887 27.484 30.300 0.118 0.000 1.752 18 R HN 0.632 nan 8.270 nan 0.000 0.547 19 F N 1.070 121.054 119.950 0.055 0.000 2.602 19 F HA 0.141 4.649 4.527 -0.032 0.000 0.367 19 F C 0.846 176.562 175.800 -0.139 0.000 1.126 19 F CA 0.209 58.178 58.000 -0.052 0.000 1.321 19 F CB 0.700 39.665 39.000 -0.059 0.000 1.094 19 F HN -0.166 nan 8.300 nan 0.000 0.594 20 V N 6.998 126.467 119.914 -0.741 0.000 2.394 20 V HA 0.272 4.374 4.120 -0.032 0.000 0.282 20 V C -0.521 175.101 176.094 -0.786 0.000 1.031 20 V CA -0.583 61.390 62.300 -0.545 0.000 0.881 20 V CB 0.978 32.508 31.823 -0.488 0.000 0.982 20 V HN 0.508 nan 8.190 nan 0.000 0.451 21 F N 2.780 122.561 119.950 -0.281 0.000 2.458 21 F HA 0.840 5.348 4.527 -0.032 0.000 0.336 21 F C 0.751 176.373 175.800 -0.297 0.000 1.114 21 F CA -0.148 57.717 58.000 -0.225 0.000 0.987 21 F CB 2.193 41.186 39.000 -0.011 0.000 1.130 21 F HN 0.645 nan 8.300 nan 0.000 0.458 22 G N 0.500 109.023 108.800 -0.462 0.000 2.788 22 G HA2 0.674 4.615 3.960 -0.032 0.000 0.293 22 G HA3 0.674 4.615 3.960 -0.032 0.000 0.293 22 G C -1.324 173.214 174.900 -0.604 0.000 1.392 22 G CA -0.750 44.031 45.100 -0.533 0.000 0.810 22 G HN 0.620 nan 8.290 nan 0.000 0.508 23 T N -2.969 111.306 114.554 -0.465 0.000 2.901 23 T HA 0.765 5.096 4.350 -0.032 0.000 0.293 23 T C -0.976 173.731 174.700 0.011 0.000 1.084 23 T CA -0.756 61.132 62.100 -0.353 0.000 1.008 23 T CB 1.788 70.285 68.868 -0.619 0.000 1.170 23 T HN 0.841 nan 8.240 nan 0.000 0.509 24 V N 1.442 121.327 119.914 -0.049 0.000 2.735 24 V HA 0.866 4.967 4.120 -0.032 0.000 0.310 24 V C 0.300 176.274 176.094 -0.201 0.000 1.061 24 V CA -0.660 61.612 62.300 -0.047 0.000 0.913 24 V CB 1.693 33.628 31.823 0.187 0.000 1.005 24 V HN 1.411 nan 8.190 nan 0.000 0.428 25 T N -0.392 114.082 114.554 -0.133 0.000 2.804 25 T HA 0.858 5.189 4.350 -0.032 0.000 0.290 25 T C -0.424 174.350 174.700 0.124 0.000 1.099 25 T CA -0.344 61.679 62.100 -0.129 0.000 1.011 25 T CB 1.993 70.856 68.868 -0.009 0.000 1.291 25 T HN 1.156 nan 8.240 nan 0.000 0.523 26 S N -0.698 115.065 115.700 0.106 0.000 2.564 26 S HA 0.749 5.200 4.470 -0.032 0.000 0.274 26 S C 1.323 175.968 174.600 0.074 0.000 1.124 26 S CA -0.354 57.855 58.200 0.016 0.000 0.869 26 S CB 1.313 64.197 63.200 -0.526 0.000 1.105 26 S HN 1.417 nan 8.310 nan 0.000 0.472 27 A N 1.749 124.674 122.820 0.176 0.000 1.859 27 A HA -0.139 4.162 4.320 -0.032 0.000 0.218 27 A C 1.835 179.534 177.584 0.192 0.000 1.242 27 A CA 2.290 54.488 52.037 0.268 0.000 0.661 27 A CB -1.881 17.339 19.000 0.366 0.000 0.842 27 A HN 1.261 nan 8.150 nan 0.000 0.455 28 Y N 0.763 121.116 120.300 0.087 0.000 2.315 28 Y HA -0.207 4.325 4.550 -0.030 0.000 0.288 28 Y C 2.516 178.363 175.900 -0.088 0.000 1.154 28 Y CA 2.205 60.326 58.100 0.035 0.000 1.229 28 Y CB -0.294 38.239 38.460 0.123 0.000 0.980 28 Y HN 0.504 nan 8.280 nan 0.000 0.540 29 Q N -1.208 118.503 119.800 -0.148 0.000 2.311 29 Q HA -0.050 4.271 4.340 -0.032 0.000 0.203 29 Q C 1.870 177.804 176.000 -0.109 0.000 0.954 29 Q CA 1.650 57.314 55.803 -0.232 0.000 0.885 29 Q CB 0.214 28.799 28.738 -0.255 0.000 0.963 29 Q HN 0.559 nan 8.270 nan 0.000 0.471 30 V N -5.014 114.865 119.914 -0.058 0.000 3.368 30 V HA 0.120 4.221 4.120 -0.032 0.000 0.255 30 V C 1.470 177.567 176.094 0.005 0.000 1.466 30 V CA -0.008 62.293 62.300 0.002 0.000 1.095 30 V CB 0.092 31.931 31.823 0.027 0.000 0.899 30 V HN 0.012 nan 8.190 nan 0.000 0.440 31 E N 2.004 122.209 120.200 0.008 0.000 2.058 31 E HA 0.221 4.552 4.350 -0.032 0.000 0.194 31 E C 1.558 178.120 176.600 -0.064 0.000 0.997 31 E CA 1.419 57.828 56.400 0.014 0.000 0.801 31 E CB -0.416 29.308 29.700 0.040 0.000 0.746 31 E HN 0.942 nan 8.360 nan 0.000 0.450 32 G N 0.883 109.602 108.800 -0.135 0.000 2.598 32 G HA2 -0.329 3.612 3.960 -0.032 0.000 0.244 32 G HA3 -0.329 3.612 3.960 -0.032 0.000 0.244 32 G C 0.194 174.953 174.900 -0.235 0.000 1.302 32 G CA -0.115 44.884 45.100 -0.169 0.000 0.903 32 G HN 0.179 nan 8.290 nan 0.000 0.575 33 M N -1.640 117.797 119.600 -0.271 0.000 2.253 33 M HA -0.271 4.190 4.480 -0.032 0.000 0.199 33 M C 1.925 178.065 176.300 -0.267 0.000 0.342 33 M CA 1.500 56.568 55.300 -0.386 0.000 0.417 33 M CB -2.530 29.536 32.600 -0.890 0.000 1.338 33 M HN 2.072 nan 8.290 nan 0.000 0.920 34 A N -0.276 122.472 122.820 -0.121 0.000 1.940 34 A HA 0.176 4.477 4.320 -0.032 0.000 0.219 34 A C 1.671 179.252 177.584 -0.006 0.000 1.176 34 A CA 2.073 54.112 52.037 0.004 0.000 0.631 34 A CB -0.063 19.010 19.000 0.122 0.000 0.814 34 A HN 1.046 nan 8.150 nan 0.000 0.446 35 A N -1.025 121.770 122.820 -0.042 0.000 2.749 35 A HA 0.654 4.955 4.320 -0.032 0.000 0.299 35 A C 0.275 177.819 177.584 -0.067 0.000 1.105 35 A CA 0.185 52.199 52.037 -0.039 0.000 0.987 35 A CB 0.116 19.101 19.000 -0.024 0.000 1.180 35 A HN 0.243 nan 8.150 nan 0.000 0.528 36 S N -2.097 113.528 115.700 -0.126 0.000 2.794 36 S HA 0.664 5.115 4.470 -0.032 0.000 0.299 36 S C 0.997 175.487 174.600 -0.185 0.000 1.179 36 S CA 0.062 58.178 58.200 -0.141 0.000 0.838 36 S CB 1.105 64.206 63.200 -0.165 0.000 1.206 36 S HN 1.595 nan 8.310 nan 0.000 0.523 37 G N 0.037 108.750 108.800 -0.145 0.000 2.244 37 G HA2 -0.014 3.927 3.960 -0.032 0.000 0.274 37 G HA3 -0.014 3.927 3.960 -0.032 0.000 0.274 37 G C 1.120 176.008 174.900 -0.020 0.000 1.002 37 G CA 1.056 46.107 45.100 -0.082 0.000 0.740 37 G HN 2.089 nan 8.290 nan 0.000 0.516 38 G N -1.338 107.449 108.800 -0.023 0.000 2.157 38 G HA2 -0.247 3.694 3.960 -0.032 0.000 0.248 38 G HA3 -0.247 3.694 3.960 -0.032 0.000 0.248 38 G C 0.413 175.322 174.900 0.015 0.000 0.979 38 G CA 1.130 46.233 45.100 0.006 0.000 0.650 38 G HN 1.389 nan 8.290 nan 0.000 0.529 39 R N 0.768 121.267 120.500 -0.001 0.000 2.590 39 R HA 0.479 4.800 4.340 -0.032 0.000 0.274 39 R C 1.007 177.328 176.300 0.036 0.000 1.061 39 R CA 0.558 56.678 56.100 0.034 0.000 1.081 39 R CB 0.111 30.421 30.300 0.017 0.000 0.984 39 R HN 0.369 nan 8.270 nan 0.000 0.448 40 G N 3.847 112.683 108.800 0.060 0.000 2.451 40 G HA2 0.413 4.354 3.960 -0.032 0.000 0.303 40 G HA3 0.413 4.354 3.960 -0.032 0.000 0.303 40 G C -2.459 172.468 174.900 0.045 0.000 1.166 40 G CA -1.432 43.693 45.100 0.041 0.000 0.884 40 G HN 0.556 nan 8.290 nan 0.000 0.514 41 P HA 0.195 nan 4.420 nan 0.000 0.279 41 P C 0.011 177.325 177.300 0.022 0.000 1.239 41 P CA -0.177 62.935 63.100 0.021 0.000 0.789 41 P CB 1.580 33.272 31.700 -0.014 0.000 0.933 42 S N 2.024 117.751 115.700 0.047 0.000 2.745 42 S HA 0.349 4.800 4.470 -0.032 0.000 0.292 42 S C 1.626 176.253 174.600 0.044 0.000 1.133 42 S CA -0.797 57.432 58.200 0.049 0.000 0.998 42 S CB 0.409 63.667 63.200 0.096 0.000 1.087 42 S HN 0.500 nan 8.310 nan 0.000 0.551 43 I N -2.828 117.772 120.570 0.050 0.000 2.454 43 I HA 0.008 4.159 4.170 -0.032 0.000 0.254 43 I C 1.746 177.858 176.117 -0.009 0.000 1.156 43 I CA 1.050 62.351 61.300 0.001 0.000 1.433 43 I CB -0.411 37.568 38.000 -0.036 0.000 1.082 43 I HN 0.642 nan 8.210 nan 0.000 0.432 44 W N 2.323 123.596 121.300 -0.046 0.000 2.467 44 W HA -0.070 4.571 4.660 -0.032 0.000 0.275 44 W C 1.945 178.464 176.519 -0.000 0.000 1.239 44 W CA 1.466 58.790 57.345 -0.036 0.000 1.266 44 W CB -0.159 29.194 29.460 -0.178 0.000 1.112 44 W HN 0.218 nan 8.180 nan 0.000 0.576 45 D N -0.211 120.270 120.400 0.135 0.000 2.084 45 D HA -0.194 4.427 4.640 -0.032 0.000 0.194 45 D C 2.308 178.748 176.300 0.233 0.000 0.990 45 D CA 2.062 56.194 54.000 0.220 0.000 0.826 45 D CB -0.745 40.115 40.800 0.101 0.000 0.971 45 D HN 0.036 nan 8.370 nan 0.000 0.453 46 A N 0.491 123.378 122.820 0.113 0.000 1.859 46 A HA -0.226 4.075 4.320 -0.032 0.000 0.217 46 A C 2.091 179.760 177.584 0.141 0.000 1.198 46 A CA 1.422 53.510 52.037 0.085 0.000 0.629 46 A CB -1.279 17.742 19.000 0.034 0.000 0.830 46 A HN 0.296 nan 8.150 nan 0.000 0.446 47 F N 0.936 120.858 119.950 -0.047 0.000 2.065 47 F HA -0.210 4.298 4.527 -0.032 0.000 0.298 47 F C 2.550 178.374 175.800 0.040 0.000 1.112 47 F CA 1.828 59.754 58.000 -0.123 0.000 1.212 47 F CB -0.517 38.212 39.000 -0.453 0.000 0.975 47 F HN 0.242 nan 8.300 nan 0.000 0.476 48 A N -1.360 121.664 122.820 0.339 0.000 2.015 48 A HA -0.193 4.108 4.320 -0.032 0.000 0.219 48 A C 1.898 179.563 177.584 0.136 0.000 1.163 48 A CA 1.596 53.852 52.037 0.365 0.000 0.646 48 A CB -1.142 18.241 19.000 0.639 0.000 0.806 48 A HN 0.679 nan 8.150 nan 0.000 0.448 49 H N -0.772 118.344 119.070 0.077 0.000 2.539 49 H HA 0.063 4.599 4.556 -0.033 0.000 0.267 49 H C -0.195 175.121 175.328 -0.020 0.000 0.982 49 H CA 0.557 56.629 56.048 0.040 0.000 1.146 49 H CB 0.236 30.027 29.762 0.049 0.000 1.382 49 H HN 0.287 nan 8.280 nan 0.000 0.577 50 T N 4.003 118.554 114.554 -0.005 0.000 2.728 50 T HA 0.161 4.492 4.350 -0.032 0.000 0.296 50 T C -2.352 172.280 174.700 -0.112 0.000 0.940 50 T CA -1.373 60.681 62.100 -0.078 0.000 1.013 50 T CB 1.406 70.181 68.868 -0.155 0.000 0.912 50 T HN 0.093 nan 8.240 nan 0.000 0.484 51 P HA 0.157 nan 4.420 nan 0.000 0.261 51 P C 1.101 178.354 177.300 -0.077 0.000 1.173 51 P CA 0.966 64.034 63.100 -0.053 0.000 0.760 51 P CB 0.265 31.948 31.700 -0.029 0.000 0.783 52 G N 3.030 111.792 108.800 -0.064 0.000 2.217 52 G HA2 -0.279 3.662 3.960 -0.032 0.000 0.246 52 G HA3 -0.279 3.662 3.960 -0.032 0.000 0.246 52 G C 1.259 176.101 174.900 -0.098 0.000 0.990 52 G CA 0.089 45.153 45.100 -0.061 0.000 0.627 52 G HN 0.468 nan 8.290 nan 0.000 0.522 53 N N -0.191 118.388 118.700 -0.202 0.000 2.300 53 N HA 0.167 4.888 4.740 -0.032 0.000 0.179 53 N C 0.784 176.233 175.510 -0.101 0.000 1.016 53 N CA 1.470 54.298 53.050 -0.371 0.000 0.876 53 N CB 0.241 38.100 38.487 -1.048 0.000 0.979 53 N HN 0.438 nan 8.380 nan 0.000 0.432 54 V N 0.425 120.349 119.914 0.016 0.000 2.823 54 V HA 0.588 4.689 4.120 -0.032 0.000 0.312 54 V C -0.274 175.889 176.094 0.116 0.000 1.072 54 V CA -1.578 60.824 62.300 0.170 0.000 0.937 54 V CB 1.692 33.715 31.823 0.333 0.000 1.013 54 V HN 0.169 nan 8.190 nan 0.000 0.430 55 A N 2.454 125.341 122.820 0.110 0.000 2.587 55 A HA 0.429 4.730 4.320 -0.032 0.000 0.235 55 A C 1.530 179.170 177.584 0.092 0.000 1.044 55 A CA 0.851 52.938 52.037 0.083 0.000 0.754 55 A CB -0.696 18.343 19.000 0.066 0.000 0.968 55 A HN 2.405 nan 8.150 nan 0.000 0.509 56 G N 2.318 111.162 108.800 0.073 0.000 2.269 56 G HA2 -0.313 3.628 3.960 -0.032 0.000 0.277 56 G HA3 -0.313 3.628 3.960 -0.032 0.000 0.277 56 G C 0.455 175.398 174.900 0.072 0.000 1.008 56 G CA 0.804 45.947 45.100 0.071 0.000 0.774 56 G HN 1.584 nan 8.290 nan 0.000 0.511 57 N N -1.532 117.207 118.700 0.066 0.000 2.693 57 N HA -0.159 4.562 4.740 -0.032 0.000 0.249 57 N C 0.758 176.312 175.510 0.073 0.000 1.119 57 N CA 1.857 54.937 53.050 0.049 0.000 0.717 57 N CB -0.430 38.067 38.487 0.015 0.000 1.071 57 N HN 0.743 nan 8.380 nan 0.000 0.555 58 Q N 0.463 120.359 119.800 0.160 0.000 2.443 58 Q HA 0.390 4.711 4.340 -0.032 0.000 0.232 58 Q C 1.009 177.163 176.000 0.256 0.000 1.026 58 Q CA 0.145 56.094 55.803 0.243 0.000 0.924 58 Q CB 0.825 29.816 28.738 0.421 0.000 1.256 58 Q HN 0.698 nan 8.270 nan 0.000 0.519 59 N N -3.020 115.743 118.700 0.105 0.000 3.316 59 N HA 0.476 5.197 4.740 -0.032 0.000 0.300 59 N C -0.182 174.950 175.510 -0.630 0.000 1.567 59 N CA -0.573 52.351 53.050 -0.209 0.000 0.821 59 N CB 0.296 38.687 38.487 -0.161 0.000 1.748 59 N HN 0.390 nan 8.380 nan 0.000 0.603 60 G N -1.508 106.842 108.800 -0.750 0.000 3.523 60 G HA2 0.105 4.046 3.960 -0.032 0.000 0.270 60 G HA3 0.105 4.046 3.960 -0.032 0.000 0.270 60 G C -0.227 174.393 174.900 -0.467 0.000 1.134 60 G CA -0.201 44.289 45.100 -1.017 0.000 0.825 60 G HN 0.511 nan 8.290 nan 0.000 0.534 61 D N 0.579 120.883 120.400 -0.161 0.000 2.106 61 D HA -0.132 4.489 4.640 -0.032 0.000 0.191 61 D C 2.517 178.758 176.300 -0.098 0.000 0.997 61 D CA 1.198 55.171 54.000 -0.045 0.000 0.834 61 D CB 0.139 40.963 40.800 0.040 0.000 0.956 61 D HN 0.249 nan 8.370 nan 0.000 0.448 62 V N -0.155 119.703 119.914 -0.093 0.000 2.922 62 V HA 0.288 4.389 4.120 -0.032 0.000 0.242 62 V C 1.423 177.481 176.094 -0.060 0.000 1.094 62 V CA 0.662 62.919 62.300 -0.071 0.000 1.106 62 V CB -0.338 31.457 31.823 -0.047 0.000 0.799 62 V HN 0.375 nan 8.190 nan 0.000 0.474 63 A N 1.465 124.263 122.820 -0.036 0.000 5.483 63 A HA -0.427 3.874 4.320 -0.032 0.000 0.309 63 A C 1.722 179.414 177.584 0.180 0.000 1.898 63 A CA 2.699 54.797 52.037 0.102 0.000 0.716 63 A CB -2.134 16.836 19.000 -0.050 0.000 1.309 63 A HN 1.096 nan 8.150 nan 0.000 0.380 64 T N -2.481 112.163 114.554 0.150 0.000 3.107 64 T HA 0.384 4.715 4.350 -0.032 0.000 0.249 64 T C 0.505 175.208 174.700 0.005 0.000 1.096 64 T CA 1.591 63.732 62.100 0.069 0.000 1.012 64 T CB -0.054 68.828 68.868 0.023 0.000 0.977 64 T HN 2.070 nan 8.240 nan 0.000 0.527 65 D N 0.961 121.368 120.400 0.012 0.000 2.772 65 D HA -0.224 4.397 4.640 -0.032 0.000 0.233 65 D C 0.692 177.019 176.300 0.045 0.000 1.143 65 D CA 1.025 55.036 54.000 0.018 0.000 0.700 65 D CB -1.601 39.227 40.800 0.047 0.000 1.076 65 D HN 0.731 nan 8.370 nan 0.000 0.430 66 Q N -1.120 118.709 119.800 0.049 0.000 2.226 66 Q HA -0.200 4.121 4.340 -0.032 0.000 0.204 66 Q C 1.842 177.937 176.000 0.159 0.000 0.975 66 Q CA 1.218 57.074 55.803 0.089 0.000 0.866 66 Q CB -0.202 28.596 28.738 0.100 0.000 0.915 66 Q HN 0.719 nan 8.270 nan 0.000 0.440 67 Y N 0.001 120.250 120.300 -0.086 0.000 2.228 67 Y HA -0.302 4.225 4.550 -0.038 0.000 0.285 67 Y C 1.252 177.122 175.900 -0.050 0.000 1.178 67 Y CA 2.431 60.375 58.100 -0.261 0.000 1.202 67 Y CB 0.020 38.115 38.460 -0.609 0.000 0.974 67 Y HN 0.357 nan 8.280 nan 0.000 0.527 68 H N -1.978 117.201 119.070 0.181 0.000 2.654 68 H HA 0.259 4.810 4.556 -0.009 0.000 0.264 68 H C 1.096 176.395 175.328 -0.048 0.000 0.954 68 H CA 0.179 56.274 56.048 0.079 0.000 1.199 68 H CB 0.399 30.199 29.762 0.063 0.000 1.446 68 H HN 0.144 nan 8.280 nan 0.000 0.516 69 R N 0.468 121.007 120.500 0.065 0.000 2.577 69 R HA 0.055 4.376 4.340 -0.032 0.000 0.344 69 R C 0.669 176.883 176.300 -0.143 0.000 1.037 69 R CA -0.158 55.891 56.100 -0.085 0.000 1.102 69 R CB -0.028 30.237 30.300 -0.059 0.000 1.313 69 R HN 0.408 nan 8.270 nan 0.000 0.561 70 Y N 0.994 121.239 120.300 -0.091 0.000 2.151 70 Y HA -0.178 4.354 4.550 -0.030 0.000 0.284 70 Y C 1.533 177.334 175.900 -0.165 0.000 1.166 70 Y CA 1.062 59.083 58.100 -0.132 0.000 1.163 70 Y CB -0.350 38.016 38.460 -0.158 0.000 0.974 70 Y HN -0.186 nan 8.280 nan 0.000 0.511 71 K N 0.393 120.308 120.400 -0.808 0.000 2.097 71 K HA -0.220 4.081 4.320 -0.032 0.000 0.206 71 K C 2.206 178.670 176.600 -0.228 0.000 1.049 71 K CA 1.596 57.499 56.287 -0.639 0.000 0.933 71 K CB -0.254 31.591 32.500 -1.093 0.000 0.717 71 K HN 0.590 nan 8.250 nan 0.000 0.442 72 E N 1.197 121.256 120.200 -0.234 0.000 2.051 72 E HA -0.233 4.098 4.350 -0.032 0.000 0.192 72 E C 1.244 177.787 176.600 -0.094 0.000 0.991 72 E CA 1.529 57.849 56.400 -0.134 0.000 0.799 72 E CB 0.103 29.720 29.700 -0.139 0.000 0.748 72 E HN 0.207 nan 8.360 nan 0.000 0.449 73 D N 0.026 120.361 120.400 -0.109 0.000 2.144 73 D HA -0.127 4.494 4.640 -0.032 0.000 0.199 73 D C 2.055 178.272 176.300 -0.138 0.000 0.984 73 D CA 0.814 54.739 54.000 -0.125 0.000 0.834 73 D CB -0.120 40.597 40.800 -0.137 0.000 0.955 73 D HN 0.108 nan 8.370 nan 0.000 0.465 74 V N 1.508 121.378 119.914 -0.073 0.000 2.427 74 V HA -0.201 3.900 4.120 -0.032 0.000 0.248 74 V C 1.938 178.027 176.094 -0.008 0.000 1.051 74 V CA 1.321 63.595 62.300 -0.044 0.000 1.048 74 V CB -0.430 31.485 31.823 0.152 0.000 0.666 74 V HN 0.124 nan 8.190 nan 0.000 0.456 75 N N 0.112 118.842 118.700 0.049 0.000 2.166 75 N HA -0.132 4.589 4.740 -0.032 0.000 0.186 75 N C 1.589 177.100 175.510 0.003 0.000 1.019 75 N CA 1.053 54.121 53.050 0.031 0.000 0.856 75 N CB -0.529 37.983 38.487 0.042 0.000 0.993 75 N HN 0.284 nan 8.380 nan 0.000 0.426 76 L N 1.773 122.984 121.223 -0.020 0.000 1.976 76 L HA -0.086 4.235 4.340 -0.032 0.000 0.209 76 L C 2.268 179.144 176.870 0.010 0.000 1.071 76 L CA 1.613 56.442 54.840 -0.019 0.000 0.746 76 L CB -1.001 41.028 42.059 -0.051 0.000 0.890 76 L HN 0.282 nan 8.230 nan 0.000 0.432 77 M N -1.787 117.805 119.600 -0.014 0.000 2.213 77 M HA -0.228 4.233 4.480 -0.032 0.000 0.263 77 M C 2.233 178.615 176.300 0.137 0.000 1.062 77 M CA 2.124 57.464 55.300 0.067 0.000 1.105 77 M CB -0.855 31.694 32.600 -0.086 0.000 1.385 77 M HN 0.183 nan 8.290 nan 0.000 0.417 78 K N 1.452 121.884 120.400 0.053 0.000 2.057 78 K HA -0.121 4.180 4.320 -0.032 0.000 0.206 78 K C 2.082 178.716 176.600 0.057 0.000 1.050 78 K CA 1.907 58.225 56.287 0.053 0.000 0.935 78 K CB -0.131 32.370 32.500 0.002 0.000 0.715 78 K HN 0.582 nan 8.250 nan 0.000 0.439 79 S N 0.360 116.087 115.700 0.046 0.000 2.555 79 S HA -0.024 4.427 4.470 -0.032 0.000 0.230 79 S C 1.616 176.241 174.600 0.041 0.000 0.978 79 S CA 0.444 58.670 58.200 0.044 0.000 0.934 79 S CB -0.193 63.033 63.200 0.043 0.000 0.766 79 S HN 0.323 nan 8.310 nan 0.000 0.533 80 L N 0.774 122.026 121.223 0.049 0.000 2.592 80 L HA 0.263 4.584 4.340 -0.032 0.000 0.227 80 L C 0.245 177.001 176.870 -0.190 0.000 1.127 80 L CA -0.142 54.690 54.840 -0.013 0.000 0.884 80 L CB -0.587 41.539 42.059 0.111 0.000 1.065 80 L HN 0.231 nan 8.230 nan 0.000 0.457 81 N N -0.996 117.656 118.700 -0.080 0.000 2.829 81 N HA -0.184 4.537 4.740 -0.032 0.000 0.250 81 N C -0.238 175.178 175.510 -0.157 0.000 1.090 81 N CA 0.752 53.742 53.050 -0.100 0.000 0.781 81 N CB -1.673 36.669 38.487 -0.242 0.000 1.124 81 N HN 0.175 nan 8.380 nan 0.000 0.559 82 F N 1.151 121.097 119.950 -0.006 0.000 2.418 82 F HA 0.140 4.647 4.527 -0.032 0.000 0.341 82 F C 1.934 177.760 175.800 0.042 0.000 1.120 82 F CA -0.202 57.787 58.000 -0.017 0.000 1.232 82 F CB 0.637 39.597 39.000 -0.067 0.000 1.175 82 F HN -0.110 nan 8.300 nan 0.000 0.569 83 D N 1.177 121.730 120.400 0.255 0.000 2.327 83 D HA 0.214 4.835 4.640 -0.032 0.000 0.205 83 D C 0.310 176.691 176.300 0.135 0.000 0.989 83 D CA 0.541 54.642 54.000 0.169 0.000 0.873 83 D CB 0.402 41.283 40.800 0.134 0.000 0.955 83 D HN 0.399 nan 8.370 nan 0.000 0.515 84 A N -0.118 122.773 122.820 0.118 0.000 2.594 84 A HA 0.554 4.855 4.320 -0.032 0.000 0.291 84 A C -2.074 175.664 177.584 0.258 0.000 1.105 84 A CA -0.644 51.487 52.037 0.157 0.000 0.694 84 A CB 1.962 20.949 19.000 -0.022 0.000 1.291 84 A HN 0.021 nan 8.150 nan 0.000 0.410 85 Y N 0.624 121.058 120.300 0.224 0.000 2.354 85 Y HA 0.611 5.142 4.550 -0.031 0.000 0.330 85 Y C -0.277 175.799 175.900 0.293 0.000 1.011 85 Y CA -0.749 57.477 58.100 0.211 0.000 1.099 85 Y CB 1.496 40.060 38.460 0.175 0.000 1.179 85 Y HN 0.798 nan 8.280 nan 0.000 0.442 86 R N 7.284 127.675 120.500 -0.182 0.000 2.207 86 R HA 0.583 4.904 4.340 -0.032 0.000 0.334 86 R C -1.680 174.310 176.300 -0.515 0.000 1.013 86 R CA -0.312 55.566 56.100 -0.370 0.000 0.858 86 R CB 0.325 30.282 30.300 -0.572 0.000 1.094 86 R HN 0.576 nan 8.270 nan 0.000 0.457 87 F N 0.897 120.563 119.950 -0.473 0.000 2.650 87 F HA 0.662 5.172 4.527 -0.028 0.000 0.320 87 F C -1.130 174.633 175.800 -0.062 0.000 1.091 87 F CA -1.086 56.718 58.000 -0.328 0.000 0.962 87 F CB 1.420 40.205 39.000 -0.359 0.000 1.363 87 F HN 0.421 nan 8.300 nan 0.000 0.482 88 S N 1.156 116.975 115.700 0.198 0.000 2.607 88 S HA 0.775 5.226 4.470 -0.032 0.000 0.303 88 S C -0.963 173.813 174.600 0.294 0.000 1.086 88 S CA -0.786 57.504 58.200 0.151 0.000 0.995 88 S CB 1.660 64.996 63.200 0.225 0.000 1.084 88 S HN 0.732 nan 8.310 nan 0.000 0.507 89 I N 2.033 122.688 120.570 0.141 0.000 2.336 89 I HA 0.273 4.424 4.170 -0.032 0.000 0.292 89 I C 0.383 176.649 176.117 0.248 0.000 0.991 89 I CA -0.480 60.799 61.300 -0.035 0.000 1.227 89 I CB 1.870 39.749 38.000 -0.202 0.000 1.366 89 I HN 0.756 nan 8.210 nan 0.000 0.466 90 S N 6.683 122.604 115.700 0.368 0.000 2.429 90 S HA -0.022 4.429 4.470 -0.032 0.000 0.292 90 S C 0.922 175.800 174.600 0.463 0.000 1.183 90 S CA -0.328 58.137 58.200 0.442 0.000 1.088 90 S CB 0.101 63.583 63.200 0.471 0.000 1.018 90 S HN 0.686 nan 8.310 nan 0.000 0.511 91 W N 4.825 126.238 121.300 0.187 0.000 2.304 91 W HA -0.224 4.416 4.660 -0.033 0.000 0.315 91 W C 2.222 178.793 176.519 0.087 0.000 1.233 91 W CA 2.286 59.587 57.345 -0.074 0.000 1.261 91 W CB -1.276 28.017 29.460 -0.278 0.000 1.150 91 W HN 0.848 nan 8.180 nan 0.000 0.494 92 S N -0.375 115.550 115.700 0.375 0.000 2.522 92 S HA -0.064 4.387 4.470 -0.032 0.000 0.227 92 S C 1.911 176.657 174.600 0.243 0.000 0.986 92 S CA 0.861 59.200 58.200 0.232 0.000 0.929 92 S CB -0.355 62.910 63.200 0.109 0.000 0.769 92 S HN 0.385 nan 8.310 nan 0.000 0.529 93 R N 0.572 121.258 120.500 0.310 0.000 2.115 93 R HA 0.116 4.437 4.340 -0.032 0.000 0.226 93 R C 1.650 178.124 176.300 0.291 0.000 1.100 93 R CA 1.097 57.377 56.100 0.299 0.000 0.980 93 R CB -0.121 30.430 30.300 0.417 0.000 0.875 93 R HN 0.381 nan 8.270 nan 0.000 0.445 94 I N -0.393 120.377 120.570 0.332 0.000 2.400 94 I HA -0.049 4.102 4.170 -0.032 0.000 0.248 94 I C 0.245 176.235 176.117 -0.211 0.000 1.109 94 I CA 1.091 62.474 61.300 0.139 0.000 1.425 94 I CB -0.266 37.919 38.000 0.309 0.000 1.094 94 I HN -0.043 nan 8.210 nan 0.000 0.425 95 F N 1.485 121.559 119.950 0.207 0.000 2.552 95 F HA 0.358 4.867 4.527 -0.030 0.000 0.369 95 F C -1.689 174.161 175.800 0.084 0.000 1.112 95 F CA -1.735 56.343 58.000 0.131 0.000 1.129 95 F CB 0.865 39.986 39.000 0.201 0.000 1.360 95 F HN -0.183 nan 8.300 nan 0.000 0.473 96 P HA -0.186 nan 4.420 nan 0.000 0.218 96 P C 0.545 177.887 177.300 0.069 0.000 1.146 96 P CA 1.590 64.750 63.100 0.100 0.000 0.820 96 P CB 0.285 32.023 31.700 0.064 0.000 0.778 97 D N -3.266 117.193 120.400 0.097 0.000 2.431 97 D HA 0.193 4.815 4.640 -0.032 0.000 0.213 97 D C 1.583 177.873 176.300 -0.017 0.000 1.130 97 D CA 0.637 54.657 54.000 0.033 0.000 0.834 97 D CB 0.182 41.012 40.800 0.050 0.000 0.985 97 D HN 0.105 nan 8.370 nan 0.000 0.504 98 G N 1.854 110.662 108.800 0.014 0.000 2.245 98 G HA2 -0.289 3.652 3.960 -0.032 0.000 0.264 98 G HA3 -0.289 3.652 3.960 -0.032 0.000 0.264 98 G C 0.220 175.093 174.900 -0.045 0.000 0.985 98 G CA 0.826 45.816 45.100 -0.183 0.000 0.625 98 G HN 0.505 nan 8.290 nan 0.000 0.536 99 E N -1.777 118.415 120.200 -0.014 0.000 2.412 99 E HA 0.586 4.917 4.350 -0.032 0.000 0.279 99 E C 0.669 177.335 176.600 0.109 0.000 0.984 99 E CA -0.476 55.863 56.400 -0.101 0.000 0.788 99 E CB 1.526 31.206 29.700 -0.034 0.000 1.277 99 E HN 1.735 nan 8.360 nan 0.000 0.455 100 G N 2.057 110.932 108.800 0.126 0.000 2.650 100 G HA2 -0.323 3.618 3.960 -0.032 0.000 0.264 100 G HA3 -0.323 3.618 3.960 -0.032 0.000 0.264 100 G C -0.256 174.824 174.900 0.300 0.000 1.263 100 G CA 0.036 45.252 45.100 0.193 0.000 0.960 100 G HN 0.762 nan 8.290 nan 0.000 0.548 101 R N 0.418 121.034 120.500 0.193 0.000 2.522 101 R HA 0.425 4.746 4.340 -0.032 0.000 0.284 101 R C 0.188 176.465 176.300 -0.038 0.000 1.032 101 R CA -0.043 56.109 56.100 0.087 0.000 1.049 101 R CB 0.325 30.656 30.300 0.052 0.000 0.956 101 R HN 0.430 nan 8.270 nan 0.000 0.422 102 V N 4.352 124.135 119.914 -0.219 0.000 2.546 102 V HA 0.049 4.150 4.120 -0.032 0.000 0.284 102 V C 0.196 176.143 176.094 -0.246 0.000 1.050 102 V CA -0.550 61.429 62.300 -0.534 0.000 0.981 102 V CB 1.380 32.852 31.823 -0.586 0.000 0.990 102 V HN 0.743 nan 8.190 nan 0.000 0.474 103 N N 3.881 122.449 118.700 -0.220 0.000 2.469 103 N HA 0.138 4.859 4.740 -0.032 0.000 0.239 103 N C 0.985 176.510 175.510 0.025 0.000 1.053 103 N CA -0.182 52.840 53.050 -0.046 0.000 0.937 103 N CB 1.063 39.556 38.487 0.010 0.000 1.163 103 N HN 0.517 nan 8.380 nan 0.000 0.509 104 Q N 1.846 121.672 119.800 0.042 0.000 2.135 104 Q HA -0.208 4.113 4.340 -0.032 0.000 0.204 104 Q C 1.106 177.187 176.000 0.135 0.000 0.981 104 Q CA 1.345 57.203 55.803 0.092 0.000 0.856 104 Q CB -0.106 28.677 28.738 0.076 0.000 0.902 104 Q HN 0.790 nan 8.270 nan 0.000 0.425 105 E N -0.391 119.883 120.200 0.123 0.000 2.110 105 E HA -0.138 4.193 4.350 -0.032 0.000 0.193 105 E C 1.927 178.658 176.600 0.217 0.000 0.988 105 E CA 0.996 57.488 56.400 0.154 0.000 0.804 105 E CB -0.179 29.599 29.700 0.131 0.000 0.745 105 E HN 0.429 nan 8.360 nan 0.000 0.458 106 G N 0.440 109.376 108.800 0.227 0.000 2.421 106 G HA2 -0.244 3.697 3.960 -0.032 0.000 0.216 106 G HA3 -0.244 3.697 3.960 -0.032 0.000 0.216 106 G C 1.647 176.822 174.900 0.458 0.000 1.171 106 G CA 0.977 46.277 45.100 0.333 0.000 0.775 106 G HN 0.221 nan 8.290 nan 0.000 0.543 107 V N 1.779 121.946 119.914 0.420 0.000 2.287 107 V HA -0.195 3.906 4.120 -0.032 0.000 0.248 107 V C 3.366 179.712 176.094 0.420 0.000 1.053 107 V CA 2.126 64.745 62.300 0.531 0.000 1.027 107 V CB -1.066 30.999 31.823 0.403 0.000 0.646 107 V HN 0.490 nan 8.190 nan 0.000 0.447 108 A N -0.726 122.256 122.820 0.270 0.000 1.917 108 A HA -0.313 3.988 4.320 -0.032 0.000 0.219 108 A C 2.166 179.804 177.584 0.090 0.000 1.182 108 A CA 2.387 54.528 52.037 0.174 0.000 0.633 108 A CB -0.852 18.232 19.000 0.140 0.000 0.819 108 A HN 0.679 nan 8.150 nan 0.000 0.448 109 Y N -0.622 119.637 120.300 -0.067 0.000 2.070 109 Y HA -0.295 4.234 4.550 -0.034 0.000 0.280 109 Y C 2.161 177.793 175.900 -0.447 0.000 1.148 109 Y CA 2.110 59.985 58.100 -0.375 0.000 1.125 109 Y CB -0.745 37.400 38.460 -0.525 0.000 0.975 109 Y HN 0.377 nan 8.280 nan 0.000 0.492 110 Y N 0.323 120.452 120.300 -0.285 0.000 2.352 110 Y HA -0.178 4.355 4.550 -0.027 0.000 0.292 110 Y C 2.411 178.074 175.900 -0.395 0.000 1.136 110 Y CA 1.264 59.070 58.100 -0.489 0.000 1.227 110 Y CB -0.745 37.498 38.460 -0.361 0.000 0.991 110 Y HN 0.215 nan 8.280 nan 0.000 0.545 111 N N 0.327 119.050 118.700 0.038 0.000 2.058 111 N HA -0.176 4.545 4.740 -0.032 0.000 0.191 111 N C 1.451 176.920 175.510 -0.067 0.000 1.037 111 N CA 1.315 54.426 53.050 0.103 0.000 0.848 111 N CB -0.521 38.092 38.487 0.210 0.000 1.021 111 N HN 0.347 nan 8.380 nan 0.000 0.422 112 N N 0.998 119.586 118.700 -0.186 0.000 2.149 112 N HA -0.129 4.592 4.740 -0.032 0.000 0.188 112 N C 1.766 177.064 175.510 -0.353 0.000 1.019 112 N CA 0.437 53.360 53.050 -0.213 0.000 0.857 112 N CB -0.506 37.850 38.487 -0.218 0.000 0.997 112 N HN 0.201 nan 8.380 nan 0.000 0.426 113 L N 1.215 121.990 121.223 -0.747 0.000 2.027 113 L HA 0.023 4.344 4.340 -0.032 0.000 0.206 113 L C 1.976 178.679 176.870 -0.278 0.000 1.074 113 L CA 1.297 55.689 54.840 -0.747 0.000 0.745 113 L CB -0.707 40.683 42.059 -1.115 0.000 0.898 113 L HN 0.059 nan 8.230 nan 0.000 0.433 114 I N 0.040 120.490 120.570 -0.200 0.000 2.226 114 I HA -0.288 3.863 4.170 -0.032 0.000 0.245 114 I C 2.079 178.207 176.117 0.019 0.000 1.100 114 I CA 1.107 62.390 61.300 -0.027 0.000 1.374 114 I CB -0.499 37.507 38.000 0.010 0.000 1.057 114 I HN 0.383 nan 8.210 nan 0.000 0.413 115 N N 0.029 118.744 118.700 0.025 0.000 2.142 115 N HA -0.227 4.494 4.740 -0.032 0.000 0.186 115 N C 1.827 177.393 175.510 0.093 0.000 1.023 115 N CA 1.325 54.412 53.050 0.062 0.000 0.852 115 N CB -0.507 38.024 38.487 0.073 0.000 0.998 115 N HN 0.346 nan 8.380 nan 0.000 0.424 116 Y N 1.594 121.892 120.300 -0.003 0.000 2.242 116 Y HA 0.011 4.546 4.550 -0.025 0.000 0.291 116 Y C 2.155 178.061 175.900 0.009 0.000 1.137 116 Y CA 0.942 59.057 58.100 0.025 0.000 1.181 116 Y CB -0.364 38.158 38.460 0.103 0.000 0.989 116 Y HN -0.041 nan 8.280 nan 0.000 0.527 117 L N -0.782 120.452 121.223 0.018 0.000 2.012 117 L HA -0.288 4.033 4.340 -0.032 0.000 0.210 117 L C 2.437 179.272 176.870 -0.058 0.000 1.073 117 L CA 1.483 56.305 54.840 -0.029 0.000 0.748 117 L CB -0.736 41.365 42.059 0.069 0.000 0.891 117 L HN 0.235 nan 8.230 nan 0.000 0.431 118 L N -0.793 120.418 121.223 -0.021 0.000 2.083 118 L HA -0.243 4.078 4.340 -0.032 0.000 0.209 118 L C 2.708 179.541 176.870 -0.060 0.000 1.083 118 L CA 1.199 56.029 54.840 -0.017 0.000 0.752 118 L CB -0.513 41.552 42.059 0.009 0.000 0.899 118 L HN 0.423 nan 8.230 nan 0.000 0.433 119 Q N 0.308 120.047 119.800 -0.101 0.000 2.170 119 Q HA -0.188 4.133 4.340 -0.032 0.000 0.203 119 Q C 1.393 177.275 176.000 -0.196 0.000 0.976 119 Q CA 1.196 56.920 55.803 -0.133 0.000 0.858 119 Q CB 0.294 28.949 28.738 -0.138 0.000 0.907 119 Q HN 0.319 nan 8.270 nan 0.000 0.433 120 K N -1.037 119.196 120.400 -0.277 0.000 2.372 120 K HA 0.127 4.428 4.320 -0.032 0.000 0.200 120 K C 0.584 177.108 176.600 -0.127 0.000 1.022 120 K CA 0.659 56.796 56.287 -0.250 0.000 1.125 120 K CB 1.004 33.275 32.500 -0.382 0.000 0.855 120 K HN 0.361 nan 8.250 nan 0.000 0.524 121 G N 2.054 110.802 108.800 -0.086 0.000 2.160 121 G HA2 -0.193 3.748 3.960 -0.032 0.000 0.244 121 G HA3 -0.193 3.748 3.960 -0.032 0.000 0.244 121 G C -0.053 174.848 174.900 0.001 0.000 1.022 121 G CA -0.250 44.827 45.100 -0.038 0.000 0.741 121 G HN 0.165 nan 8.290 nan 0.000 0.508 122 I N 1.413 121.989 120.570 0.010 0.000 2.354 122 I HA 0.355 4.506 4.170 -0.032 0.000 0.292 122 I C 0.722 176.910 176.117 0.118 0.000 0.989 122 I CA -0.680 60.665 61.300 0.074 0.000 1.188 122 I CB 1.031 39.073 38.000 0.071 0.000 1.342 122 I HN -0.001 nan 8.210 nan 0.000 0.457 123 T N 8.195 122.848 114.554 0.165 0.000 2.761 123 T HA 0.240 4.571 4.350 -0.032 0.000 0.296 123 T C -2.333 172.539 174.700 0.288 0.000 0.934 123 T CA -1.031 61.179 62.100 0.184 0.000 1.091 123 T CB 0.439 69.424 68.868 0.196 0.000 0.896 123 T HN 0.367 nan 8.240 nan 0.000 0.515 124 P HA 0.189 nan 4.420 nan 0.000 0.276 124 P C -1.259 176.027 177.300 -0.024 0.000 1.243 124 P CA -0.385 62.831 63.100 0.193 0.000 0.768 124 P CB 0.271 32.041 31.700 0.117 0.000 0.856 125 Y N 2.039 122.236 120.300 -0.171 0.000 2.388 125 Y HA 0.273 4.803 4.550 -0.032 0.000 0.328 125 Y C 0.211 175.848 175.900 -0.439 0.000 0.963 125 Y CA -0.781 57.164 58.100 -0.258 0.000 1.240 125 Y CB 1.402 39.754 38.460 -0.179 0.000 1.118 125 Y HN 0.070 nan 8.280 nan 0.000 0.484 126 V N 3.788 123.416 119.914 -0.476 0.000 2.394 126 V HA 0.297 4.398 4.120 -0.032 0.000 0.282 126 V C -0.185 175.836 176.094 -0.122 0.000 1.031 126 V CA -1.085 60.841 62.300 -0.624 0.000 0.881 126 V CB 1.392 32.714 31.823 -0.835 0.000 0.982 126 V HN 0.664 nan 8.190 nan 0.000 0.451 127 N N 2.692 121.340 118.700 -0.088 0.000 2.499 127 N HA 0.420 5.141 4.740 -0.032 0.000 0.281 127 N C 0.812 176.410 175.510 0.145 0.000 1.098 127 N CA -0.472 52.651 53.050 0.123 0.000 0.979 127 N CB 1.389 39.936 38.487 0.099 0.000 1.121 127 N HN 0.619 nan 8.380 nan 0.000 0.466 128 L N 1.418 122.766 121.223 0.209 0.000 2.375 128 L HA 0.154 4.475 4.340 -0.032 0.000 0.215 128 L C -0.333 176.863 176.870 0.543 0.000 1.108 128 L CA 0.399 55.369 54.840 0.217 0.000 0.830 128 L CB 0.034 42.075 42.059 -0.030 0.000 0.959 128 L HN 0.588 nan 8.230 nan 0.000 0.457 129 Y N -0.870 119.646 120.300 0.360 0.000 2.479 129 Y HA 0.367 4.898 4.550 -0.031 0.000 0.338 129 Y C -0.980 175.123 175.900 0.338 0.000 1.055 129 Y CA -1.121 57.276 58.100 0.494 0.000 1.023 129 Y CB 1.335 40.209 38.460 0.691 0.000 1.287 129 Y HN -0.023 nan 8.280 nan 0.000 0.447 130 H N 6.419 125.327 119.070 -0.270 0.000 2.643 130 H HA 0.237 4.775 4.556 -0.031 0.000 0.229 130 H C -0.738 174.349 175.328 -0.401 0.000 1.410 130 H CA -0.262 55.581 56.048 -0.342 0.000 1.458 130 H CB -0.211 29.461 29.762 -0.150 0.000 1.792 130 H HN 0.929 nan 8.280 nan 0.000 0.563 131 Y N -0.259 119.843 120.300 -0.330 0.000 4.543 131 Y HA -0.373 4.158 4.550 -0.032 0.000 0.303 131 Y C 0.303 176.197 175.900 -0.010 0.000 1.054 131 Y CA 0.684 58.718 58.100 -0.110 0.000 1.902 131 Y CB -0.989 37.324 38.460 -0.245 0.000 1.052 131 Y HN 0.559 nan 8.280 nan 0.000 0.448 132 D N 1.590 121.972 120.400 -0.030 0.000 3.057 132 D HA 0.350 4.971 4.640 -0.032 0.000 0.246 132 D C -0.115 176.329 176.300 0.240 0.000 1.238 132 D CA -0.241 53.868 54.000 0.182 0.000 0.949 132 D CB 0.006 40.944 40.800 0.230 0.000 1.086 132 D HN 0.197 nan 8.370 nan 0.000 0.487 133 L N 0.963 122.415 121.223 0.382 0.000 2.513 133 L HA 0.228 4.549 4.340 -0.032 0.000 0.272 133 L C -2.339 174.531 176.870 -0.001 0.000 1.187 133 L CA -1.439 53.598 54.840 0.328 0.000 0.895 133 L CB 0.154 42.437 42.059 0.373 0.000 1.147 133 L HN -0.013 nan 8.230 nan 0.000 0.483 134 P HA -0.071 nan 4.420 nan 0.000 0.263 134 P C 0.493 177.682 177.300 -0.185 0.000 1.195 134 P CA -0.059 62.882 63.100 -0.265 0.000 0.762 134 P CB 0.551 31.933 31.700 -0.531 0.000 0.799 135 L N 5.549 126.717 121.223 -0.092 0.000 2.043 135 L HA -0.251 4.070 4.340 -0.032 0.000 0.212 135 L C 2.141 178.957 176.870 -0.089 0.000 1.075 135 L CA 2.407 57.205 54.840 -0.071 0.000 0.752 135 L CB -1.439 40.595 42.059 -0.042 0.000 0.891 135 L HN 0.421 nan 8.230 nan 0.000 0.432 136 A N -0.733 122.030 122.820 -0.095 0.000 1.940 136 A HA -0.195 4.106 4.320 -0.032 0.000 0.219 136 A C 2.246 179.784 177.584 -0.078 0.000 1.176 136 A CA 2.052 54.041 52.037 -0.080 0.000 0.631 136 A CB -0.854 18.109 19.000 -0.062 0.000 0.814 136 A HN 0.532 nan 8.150 nan 0.000 0.446 137 L N -1.200 119.947 121.223 -0.127 0.000 2.156 137 L HA -0.143 4.178 4.340 -0.032 0.000 0.208 137 L C 2.576 179.409 176.870 -0.062 0.000 1.095 137 L CA 1.512 56.308 54.840 -0.073 0.000 0.770 137 L CB -0.485 41.373 42.059 -0.335 0.000 0.914 137 L HN 0.447 nan 8.230 nan 0.000 0.439 138 E N 1.070 121.202 120.200 -0.113 0.000 2.051 138 E HA -0.206 4.125 4.350 -0.032 0.000 0.192 138 E C 2.096 178.660 176.600 -0.060 0.000 0.991 138 E CA 1.527 57.877 56.400 -0.083 0.000 0.799 138 E CB 0.084 29.741 29.700 -0.071 0.000 0.748 138 E HN 0.269 nan 8.360 nan 0.000 0.449 139 K N -0.179 120.179 120.400 -0.069 0.000 2.155 139 K HA -0.067 4.234 4.320 -0.032 0.000 0.203 139 K C 2.173 178.708 176.600 -0.108 0.000 1.052 139 K CA 1.124 57.366 56.287 -0.075 0.000 0.948 139 K CB -0.012 32.445 32.500 -0.072 0.000 0.728 139 K HN 0.005 nan 8.250 nan 0.000 0.448 140 K N -0.252 120.061 120.400 -0.144 0.000 2.166 140 K HA -0.035 4.266 4.320 -0.032 0.000 0.201 140 K C 0.929 177.274 176.600 -0.425 0.000 1.052 140 K CA 0.934 57.032 56.287 -0.315 0.000 0.969 140 K CB 0.305 32.541 32.500 -0.440 0.000 0.761 140 K HN 0.096 nan 8.250 nan 0.000 0.459 141 Y N -1.191 119.043 120.300 -0.111 0.000 2.426 141 Y HA 0.271 4.802 4.550 -0.032 0.000 0.249 141 Y C 1.016 176.853 175.900 -0.104 0.000 1.103 141 Y CA 0.166 58.200 58.100 -0.110 0.000 1.256 141 Y CB 1.696 40.068 38.460 -0.145 0.000 1.208 141 Y HN 0.259 nan 8.280 nan 0.000 0.519 142 G N 0.322 109.138 108.800 0.026 0.000 2.132 142 G HA2 -0.027 3.914 3.960 -0.032 0.000 0.234 142 G HA3 -0.027 3.914 3.960 -0.032 0.000 0.234 142 G C 0.927 175.823 174.900 -0.007 0.000 0.989 142 G CA 0.092 45.197 45.100 0.009 0.000 0.676 142 G HN 1.011 nan 8.290 nan 0.000 0.522 143 G N -0.824 107.925 108.800 -0.085 0.000 2.564 143 G HA2 -0.282 3.659 3.960 -0.032 0.000 0.273 143 G HA3 -0.282 3.659 3.960 -0.032 0.000 0.273 143 G C 0.819 175.531 174.900 -0.314 0.000 1.242 143 G CA 0.858 45.811 45.100 -0.244 0.000 0.951 143 G HN 1.109 nan 8.290 nan 0.000 0.564 144 W N 0.629 121.855 121.300 -0.124 0.000 2.961 144 W HA 0.364 5.004 4.660 -0.032 0.000 0.240 144 W C 2.387 178.725 176.519 -0.302 0.000 1.305 144 W CA 0.148 57.286 57.345 -0.344 0.000 1.465 144 W CB -0.203 28.866 29.460 -0.652 0.000 1.135 144 W HN 0.297 nan 8.180 nan 0.000 0.688 145 L N 0.437 121.655 121.223 -0.008 0.000 2.478 145 L HA -0.020 4.301 4.340 -0.032 0.000 0.223 145 L C 0.947 177.806 176.870 -0.018 0.000 1.140 145 L CA 0.491 55.317 54.840 -0.023 0.000 0.842 145 L CB -0.456 41.636 42.059 0.055 0.000 0.953 145 L HN -0.090 nan 8.230 nan 0.000 0.452 146 N N 0.087 118.766 118.700 -0.035 0.000 2.424 146 N HA 0.221 4.942 4.740 -0.032 0.000 0.271 146 N C 0.681 176.171 175.510 -0.034 0.000 0.985 146 N CA 0.199 53.235 53.050 -0.023 0.000 0.921 146 N CB 2.027 40.511 38.487 -0.005 0.000 1.149 146 N HN -0.017 nan 8.380 nan 0.000 0.492 147 A N 3.780 126.600 122.820 0.001 0.000 2.076 147 A HA -0.174 4.127 4.320 -0.032 0.000 0.220 147 A C 1.857 179.441 177.584 -0.000 0.000 1.160 147 A CA 1.394 53.443 52.037 0.020 0.000 0.653 147 A CB -0.238 18.787 19.000 0.041 0.000 0.801 147 A HN 0.699 nan 8.150 nan 0.000 0.455 148 K N -0.619 119.762 120.400 -0.032 0.000 2.442 148 K HA -0.034 4.267 4.320 -0.032 0.000 0.198 148 K C 1.614 178.122 176.600 -0.154 0.000 1.044 148 K CA 1.016 57.255 56.287 -0.079 0.000 0.948 148 K CB -0.333 32.119 32.500 -0.080 0.000 0.762 148 K HN 0.344 nan 8.250 nan 0.000 0.472 149 M N -0.163 119.339 119.600 -0.162 0.000 2.358 149 M HA -0.060 4.401 4.480 -0.032 0.000 0.264 149 M C 1.972 178.307 176.300 0.058 0.000 1.064 149 M CA 1.428 56.607 55.300 -0.201 0.000 1.093 149 M CB -1.124 31.252 32.600 -0.374 0.000 1.401 149 M HN 0.291 nan 8.290 nan 0.000 0.440 150 A N 0.516 123.397 122.820 0.103 0.000 1.858 150 A HA -0.182 4.119 4.320 -0.032 0.000 0.216 150 A C 1.908 179.589 177.584 0.161 0.000 1.190 150 A CA 1.926 54.078 52.037 0.190 0.000 0.617 150 A CB -0.682 18.401 19.000 0.138 0.000 0.827 150 A HN 0.365 nan 8.150 nan 0.000 0.443 151 D N 0.199 120.638 120.400 0.064 0.000 2.087 151 D HA -0.153 4.468 4.640 -0.032 0.000 0.192 151 D C 2.007 178.321 176.300 0.024 0.000 0.993 151 D CA 1.428 55.445 54.000 0.028 0.000 0.828 151 D CB -0.560 40.230 40.800 -0.016 0.000 0.968 151 D HN 0.432 nan 8.370 nan 0.000 0.448 152 L N -0.284 120.931 121.223 -0.012 0.000 2.012 152 L HA -0.192 4.129 4.340 -0.032 0.000 0.210 152 L C 2.459 179.455 176.870 0.209 0.000 1.073 152 L CA 0.995 55.852 54.840 0.028 0.000 0.748 152 L CB -0.466 41.524 42.059 -0.116 0.000 0.891 152 L HN -0.017 nan 8.230 nan 0.000 0.431 153 F N 0.530 120.567 119.950 0.144 0.000 2.186 153 F HA -0.191 4.317 4.527 -0.032 0.000 0.299 153 F C 2.441 178.215 175.800 -0.043 0.000 1.090 153 F CA 1.791 59.850 58.000 0.099 0.000 1.307 153 F CB -0.363 38.831 39.000 0.322 0.000 1.019 153 F HN -0.064 nan 8.300 nan 0.000 0.489 154 T N 0.179 114.741 114.554 0.013 0.000 2.777 154 T HA -0.145 4.186 4.350 -0.032 0.000 0.266 154 T C 1.737 176.315 174.700 -0.205 0.000 1.040 154 T CA 1.473 63.507 62.100 -0.110 0.000 1.141 154 T CB -0.212 68.676 68.868 0.033 0.000 0.868 154 T HN 0.191 nan 8.240 nan 0.000 0.444 155 E N 0.722 120.844 120.200 -0.130 0.000 2.085 155 E HA -0.124 4.207 4.350 -0.032 0.000 0.194 155 E C 1.868 178.340 176.600 -0.213 0.000 0.994 155 E CA 1.054 57.378 56.400 -0.127 0.000 0.801 155 E CB -0.579 29.060 29.700 -0.101 0.000 0.743 155 E HN 0.638 nan 8.360 nan 0.000 0.453 156 Y N 1.471 121.474 120.300 -0.496 0.000 2.145 156 Y HA -0.161 4.370 4.550 -0.032 0.000 0.286 156 Y C 2.268 177.748 175.900 -0.700 0.000 1.145 156 Y CA 1.514 59.216 58.100 -0.663 0.000 1.148 156 Y CB -0.729 37.011 38.460 -1.200 0.000 0.981 156 Y HN -0.013 nan 8.280 nan 0.000 0.507 157 A N 0.225 122.301 122.820 -1.240 0.000 1.902 157 A HA -0.237 4.064 4.320 -0.032 0.000 0.217 157 A C 2.228 178.980 177.584 -1.388 0.000 1.181 157 A CA 1.905 52.997 52.037 -1.575 0.000 0.623 157 A CB -1.195 16.998 19.000 -1.345 0.000 0.818 157 A HN 0.653 nan 8.150 nan 0.000 0.443 158 D N -1.130 118.874 120.400 -0.660 0.000 2.116 158 D HA -0.208 4.413 4.640 -0.032 0.000 0.193 158 D C 1.783 177.870 176.300 -0.355 0.000 0.998 158 D CA 1.674 55.496 54.000 -0.297 0.000 0.836 158 D CB -0.231 40.565 40.800 -0.006 0.000 0.951 158 D HN 0.391 nan 8.370 nan 0.000 0.449 159 F N 1.232 120.968 119.950 -0.355 0.000 2.134 159 F HA -0.215 4.292 4.527 -0.033 0.000 0.299 159 F C 2.578 178.140 175.800 -0.396 0.000 1.097 159 F CA 1.339 59.205 58.000 -0.224 0.000 1.264 159 F CB -0.431 38.602 39.000 0.056 0.000 1.001 159 F HN 0.111 nan 8.300 nan 0.000 0.479 160 C N 0.196 119.194 119.300 -0.503 0.000 2.432 160 C HA -0.178 4.263 4.460 -0.032 0.000 0.277 160 C C 2.636 177.288 174.990 -0.564 0.000 1.249 160 C CA 0.769 59.486 59.018 -0.501 0.000 1.725 160 C CB -1.647 25.702 27.740 -0.652 0.000 2.028 160 C HN 0.469 nan 8.230 nan 0.000 0.477 161 F N 1.571 121.038 119.950 -0.805 0.000 2.095 161 F HA -0.122 4.386 4.527 -0.031 0.000 0.298 161 F C 2.400 177.754 175.800 -0.744 0.000 1.104 161 F CA 1.507 58.991 58.000 -0.860 0.000 1.232 161 F CB -1.163 37.116 39.000 -1.203 0.000 0.987 161 F HN 0.243 nan 8.300 nan 0.000 0.475 162 K N -0.114 119.876 120.400 -0.684 0.000 2.063 162 K HA -0.158 4.143 4.320 -0.032 0.000 0.208 162 K C 1.825 178.168 176.600 -0.429 0.000 1.048 162 K CA 2.010 58.056 56.287 -0.402 0.000 0.928 162 K CB -0.267 32.068 32.500 -0.275 0.000 0.713 162 K HN 0.263 nan 8.250 nan 0.000 0.442 163 T N -0.344 113.757 114.554 -0.754 0.000 2.978 163 T HA 0.006 4.337 4.350 -0.032 0.000 0.262 163 T C 0.930 175.161 174.700 -0.782 0.000 1.063 163 T CA 0.878 62.392 62.100 -0.976 0.000 1.140 163 T CB -0.010 67.856 68.868 -1.669 0.000 0.886 163 T HN 0.173 nan 8.240 nan 0.000 0.470 164 F N 0.027 119.979 119.950 0.004 0.000 2.746 164 F HA 0.457 4.964 4.527 -0.032 0.000 0.320 164 F C 2.155 178.083 175.800 0.214 0.000 1.097 164 F CA -1.006 57.069 58.000 0.125 0.000 1.195 164 F CB -0.485 38.629 39.000 0.189 0.000 1.056 164 F HN 0.112 nan 8.300 nan 0.000 0.562 165 G N 0.484 109.511 108.800 0.379 0.000 2.498 165 G HA2 -0.235 3.706 3.960 -0.032 0.000 0.219 165 G HA3 -0.235 3.706 3.960 -0.032 0.000 0.219 165 G C 1.496 176.543 174.900 0.244 0.000 1.119 165 G CA 0.798 46.161 45.100 0.439 0.000 0.766 165 G HN 0.188 nan 8.290 nan 0.000 0.552 166 N N 0.068 118.860 118.700 0.152 0.000 2.459 166 N HA 0.033 4.754 4.740 -0.032 0.000 0.181 166 N C 2.105 177.667 175.510 0.086 0.000 1.046 166 N CA 0.508 53.617 53.050 0.097 0.000 0.904 166 N CB 0.043 38.568 38.487 0.063 0.000 0.964 166 N HN 0.381 nan 8.380 nan 0.000 0.444 167 R N -1.058 119.505 120.500 0.106 0.000 2.383 167 R HA 0.270 4.591 4.340 -0.032 0.000 0.205 167 R C -0.119 176.187 176.300 0.009 0.000 0.875 167 R CA 0.002 56.141 56.100 0.065 0.000 1.039 167 R CB 0.865 31.215 30.300 0.083 0.000 1.267 167 R HN -0.130 nan 8.270 nan 0.000 0.635 168 V N 2.817 122.723 119.914 -0.014 0.000 2.432 168 V HA 0.119 4.220 4.120 -0.032 0.000 0.271 168 V C 0.474 176.404 176.094 -0.274 0.000 1.046 168 V CA 0.190 62.318 62.300 -0.287 0.000 0.945 168 V CB 1.523 32.902 31.823 -0.741 0.000 0.992 168 V HN 0.143 nan 8.190 nan 0.000 0.471 169 K N 2.518 122.718 120.400 -0.332 0.000 2.402 169 K HA 0.239 4.540 4.320 -0.032 0.000 0.203 169 K C -0.138 176.049 176.600 -0.688 0.000 1.077 169 K CA 0.140 56.218 56.287 -0.348 0.000 1.051 169 K CB 0.399 32.728 32.500 -0.285 0.000 0.907 169 K HN 0.744 nan 8.250 nan 0.000 0.554 170 H N -0.796 117.863 119.070 -0.684 0.000 2.860 170 H HA 0.307 4.844 4.556 -0.032 0.000 0.312 170 H C -1.180 173.694 175.328 -0.756 0.000 0.995 170 H CA -0.558 55.081 56.048 -0.683 0.000 1.311 170 H CB 0.423 29.499 29.762 -1.143 0.000 1.478 170 H HN -0.064 nan 8.280 nan 0.000 0.508 171 W N 3.045 124.126 121.300 -0.366 0.000 2.639 171 W HA 0.595 5.236 4.660 -0.032 0.000 0.347 171 W C -0.855 175.370 176.519 -0.490 0.000 1.067 171 W CA -0.732 56.407 57.345 -0.344 0.000 1.218 171 W CB 1.203 30.499 29.460 -0.274 0.000 1.393 171 W HN 0.350 nan 8.180 nan 0.000 0.557 172 F N 0.856 120.943 119.950 0.227 0.000 2.520 172 F HA 0.293 4.800 4.527 -0.032 0.000 0.322 172 F C 1.394 177.246 175.800 0.086 0.000 1.103 172 F CA -0.748 57.337 58.000 0.142 0.000 0.926 172 F CB 2.075 41.115 39.000 0.066 0.000 1.154 172 F HN 0.426 nan 8.300 nan 0.000 0.453 173 T N -0.575 114.107 114.554 0.215 0.000 2.739 173 T HA 0.169 4.500 4.350 -0.032 0.000 0.249 173 T C 0.382 174.928 174.700 -0.256 0.000 1.050 173 T CA 0.864 62.934 62.100 -0.050 0.000 1.165 173 T CB -0.212 68.570 68.868 -0.143 0.000 0.872 173 T HN 0.244 nan 8.240 nan 0.000 0.411 174 F N 1.338 121.368 119.950 0.133 0.000 2.594 174 F HA 0.630 5.138 4.527 -0.032 0.000 0.335 174 F C 0.062 175.749 175.800 -0.189 0.000 1.058 174 F CA -1.478 56.492 58.000 -0.050 0.000 0.981 174 F CB 1.427 40.214 39.000 -0.354 0.000 1.289 174 F HN 0.148 nan 8.300 nan 0.000 0.490 175 N N 0.472 119.117 118.700 -0.091 0.000 2.531 175 N HA 0.231 4.952 4.740 -0.032 0.000 0.268 175 N C -1.668 173.569 175.510 -0.455 0.000 1.023 175 N CA -0.355 52.450 53.050 -0.409 0.000 0.896 175 N CB 0.684 38.699 38.487 -0.786 0.000 1.233 175 N HN 0.603 nan 8.380 nan 0.000 0.512 176 Q N 1.817 121.354 119.800 -0.438 0.000 2.454 176 Q HA -0.132 4.189 4.340 -0.032 0.000 0.341 176 Q C -1.708 173.964 176.000 -0.548 0.000 1.437 176 Q CA 0.261 55.808 55.803 -0.426 0.000 0.935 176 Q CB -0.660 27.920 28.738 -0.263 0.000 1.164 176 Q HN 0.659 nan 8.270 nan 0.000 0.373 177 P HA -0.205 nan 4.420 nan 0.000 0.226 177 P C 0.906 177.720 177.300 -0.809 0.000 1.146 177 P CA 0.997 63.342 63.100 -1.258 0.000 0.773 177 P CB 0.052 30.750 31.700 -1.670 0.000 0.772 178 R N 0.016 120.104 120.500 -0.688 0.000 2.073 178 R HA -0.037 4.284 4.340 -0.032 0.000 0.229 178 R C 2.100 178.284 176.300 -0.194 0.000 1.120 178 R CA 0.935 56.834 56.100 -0.335 0.000 0.967 178 R CB -0.331 29.860 30.300 -0.180 0.000 0.862 178 R HN 0.028 nan 8.270 nan 0.000 0.436 179 I N 0.799 121.235 120.570 -0.223 0.000 2.315 179 I HA -0.190 3.961 4.170 -0.032 0.000 0.248 179 I C 2.350 178.327 176.117 -0.234 0.000 1.117 179 I CA 0.916 62.094 61.300 -0.203 0.000 1.404 179 I CB -0.931 36.937 38.000 -0.219 0.000 1.071 179 I HN 0.034 nan 8.210 nan 0.000 0.419 180 V N 1.594 121.364 119.914 -0.240 0.000 2.237 180 V HA -0.280 3.821 4.120 -0.032 0.000 0.245 180 V C 2.895 179.005 176.094 0.026 0.000 1.046 180 V CA 2.032 64.255 62.300 -0.128 0.000 1.007 180 V CB -1.247 30.558 31.823 -0.030 0.000 0.638 180 V HN 0.450 nan 8.190 nan 0.000 0.445 181 A N -0.243 122.556 122.820 -0.034 0.000 1.873 181 A HA -0.241 4.060 4.320 -0.032 0.000 0.218 181 A C 2.195 179.802 177.584 0.039 0.000 1.193 181 A CA 2.447 54.478 52.037 -0.011 0.000 0.629 181 A CB -0.676 18.229 19.000 -0.158 0.000 0.826 181 A HN 0.466 nan 8.150 nan 0.000 0.447 182 L N -0.358 120.855 121.223 -0.016 0.000 1.988 182 L HA -0.053 4.268 4.340 -0.032 0.000 0.207 182 L C 2.274 179.145 176.870 0.002 0.000 1.071 182 L CA 1.867 56.724 54.840 0.028 0.000 0.744 182 L CB -0.406 41.705 42.059 0.087 0.000 0.893 182 L HN 0.394 nan 8.230 nan 0.000 0.433 183 L N -0.902 120.280 121.223 -0.069 0.000 2.313 183 L HA 0.039 4.360 4.340 -0.032 0.000 0.214 183 L C 2.257 179.037 176.870 -0.150 0.000 1.119 183 L CA 0.793 55.561 54.840 -0.120 0.000 0.809 183 L CB -0.993 40.951 42.059 -0.193 0.000 0.933 183 L HN 0.486 nan 8.230 nan 0.000 0.449 184 G N -1.774 106.958 108.800 -0.114 0.000 2.656 184 G HA2 -0.088 3.853 3.960 -0.032 0.000 0.211 184 G HA3 -0.088 3.853 3.960 -0.032 0.000 0.211 184 G C 0.977 175.656 174.900 -0.369 0.000 1.137 184 G CA 0.157 45.115 45.100 -0.236 0.000 0.802 184 G HN 0.325 nan 8.290 nan 0.000 0.527 185 Y N -1.270 118.988 120.300 -0.070 0.000 2.476 185 Y HA 0.248 4.779 4.550 -0.032 0.000 0.261 185 Y C 1.684 177.566 175.900 -0.029 0.000 1.077 185 Y CA -0.166 57.909 58.100 -0.041 0.000 1.240 185 Y CB 0.889 39.332 38.460 -0.029 0.000 1.317 185 Y HN 0.120 nan 8.280 nan 0.000 0.540 186 D N 0.118 120.578 120.400 0.101 0.000 2.805 186 D HA -0.047 4.574 4.640 -0.032 0.000 0.271 186 D C 1.580 177.895 176.300 0.025 0.000 1.166 186 D CA 1.244 55.288 54.000 0.073 0.000 1.004 186 D CB 0.194 41.060 40.800 0.110 0.000 1.136 186 D HN 0.237 nan 8.370 nan 0.000 0.444 187 Q N -0.400 119.401 119.800 0.001 0.000 2.269 187 Q HA 0.192 4.513 4.340 -0.032 0.000 0.201 187 Q C 1.080 177.057 176.000 -0.039 0.000 0.946 187 Q CA 0.795 56.585 55.803 -0.022 0.000 0.877 187 Q CB 0.457 29.177 28.738 -0.031 0.000 0.963 187 Q HN 0.488 nan 8.270 nan 0.000 0.472 188 G N 1.278 110.037 108.800 -0.069 0.000 2.153 188 G HA2 -0.319 3.622 3.960 -0.032 0.000 0.252 188 G HA3 -0.319 3.622 3.960 -0.032 0.000 0.252 188 G C 0.803 175.649 174.900 -0.089 0.000 0.994 188 G CA 0.833 45.871 45.100 -0.103 0.000 0.698 188 G HN 0.477 nan 8.290 nan 0.000 0.521 189 T N -3.188 111.316 114.554 -0.084 0.000 3.081 189 T HA 0.267 4.598 4.350 -0.032 0.000 0.255 189 T C 0.831 175.455 174.700 -0.128 0.000 1.113 189 T CA 0.918 62.994 62.100 -0.041 0.000 1.082 189 T CB 0.434 69.296 68.868 -0.010 0.000 0.939 189 T HN 0.309 nan 8.240 nan 0.000 0.506 190 N N 1.822 120.336 118.700 -0.311 0.000 2.402 190 N HA 0.514 5.235 4.740 -0.032 0.000 0.294 190 N C -3.048 172.001 175.510 -0.768 0.000 1.203 190 N CA -2.212 50.439 53.050 -0.666 0.000 0.838 190 N CB 1.416 39.588 38.487 -0.526 0.000 1.306 190 N HN 0.007 nan 8.380 nan 0.000 0.510 191 P HA 0.093 nan 4.420 nan 0.000 0.266 191 P C -2.168 174.844 177.300 -0.480 0.000 1.195 191 P CA -0.743 61.898 63.100 -0.765 0.000 0.768 191 P CB 0.137 31.296 31.700 -0.902 0.000 0.838 192 P HA 0.080 nan 4.420 nan 0.000 0.253 192 P C -0.356 176.769 177.300 -0.291 0.000 1.459 192 P CA -0.251 62.657 63.100 -0.319 0.000 0.908 192 P CB -0.211 31.325 31.700 -0.274 0.000 1.470 193 K N 0.305 120.512 120.400 -0.323 0.000 3.689 193 K HA -0.184 4.117 4.320 -0.032 0.000 0.276 193 K C -0.154 176.329 176.600 -0.195 0.000 0.932 193 K CA 0.604 56.770 56.287 -0.201 0.000 0.758 193 K CB -1.252 31.213 32.500 -0.057 0.000 1.500 193 K HN 0.441 nan 8.250 nan 0.000 0.448 194 R N -0.123 120.206 120.500 -0.286 0.000 2.778 194 R HA 0.740 5.061 4.340 -0.032 0.000 0.277 194 R C -0.085 176.146 176.300 -0.115 0.000 0.977 194 R CA -0.264 55.713 56.100 -0.205 0.000 0.950 194 R CB 1.815 31.948 30.300 -0.277 0.000 1.165 194 R HN 0.617 nan 8.270 nan 0.000 0.474 195 C N -1.866 117.408 119.300 -0.044 0.000 2.959 195 C HA 0.196 4.637 4.460 -0.032 0.000 0.327 195 C C 1.536 176.529 174.990 0.005 0.000 1.315 195 C CA -0.767 58.248 59.018 -0.004 0.000 1.216 195 C CB 0.862 28.593 27.740 -0.016 0.000 1.343 195 C HN 0.837 nan 8.230 nan 0.000 0.454 196 T N 1.091 115.654 114.554 0.015 0.000 2.684 196 T HA -0.185 4.146 4.350 -0.032 0.000 0.267 196 T C 1.561 176.264 174.700 0.004 0.000 1.036 196 T CA 2.409 64.518 62.100 0.014 0.000 1.148 196 T CB -0.363 68.515 68.868 0.017 0.000 0.863 196 T HN 0.927 nan 8.240 nan 0.000 0.436 197 K N 0.272 120.671 120.400 -0.001 0.000 2.426 197 K HA 0.155 4.456 4.320 -0.032 0.000 0.193 197 K C 0.541 177.135 176.600 -0.009 0.000 1.028 197 K CA -0.036 56.248 56.287 -0.004 0.000 1.047 197 K CB -0.357 32.140 32.500 -0.005 0.000 0.821 197 K HN 0.208 nan 8.250 nan 0.000 0.513 198 C N 1.846 121.138 119.300 -0.014 0.000 2.679 198 C HA 0.173 4.614 4.460 -0.032 0.000 0.417 198 C C 2.107 177.084 174.990 -0.021 0.000 1.302 198 C CA 0.010 59.014 59.018 -0.022 0.000 1.973 198 C CB 0.677 28.395 27.740 -0.036 0.000 2.715 198 C HN 0.652 nan 8.230 nan 0.000 0.628 199 A N 2.443 125.249 122.820 -0.022 0.000 1.969 199 A HA 0.067 4.368 4.320 -0.032 0.000 0.218 199 A C 2.123 179.692 177.584 -0.025 0.000 1.169 199 A CA 1.795 53.820 52.037 -0.021 0.000 0.635 199 A CB -0.594 18.393 19.000 -0.021 0.000 0.810 199 A HN 1.137 nan 8.150 nan 0.000 0.445 200 A N -1.248 121.551 122.820 -0.034 0.000 2.235 200 A HA 0.450 4.751 4.320 -0.032 0.000 0.208 200 A C 1.458 179.022 177.584 -0.034 0.000 1.172 200 A CA 1.279 53.292 52.037 -0.040 0.000 0.786 200 A CB -1.292 17.672 19.000 -0.061 0.000 0.804 200 A HN 2.100 nan 8.150 nan 0.000 0.479 201 G N -2.439 106.346 108.800 -0.025 0.000 2.698 201 G HA2 0.465 4.406 3.960 -0.032 0.000 0.225 201 G HA3 0.465 4.406 3.960 -0.032 0.000 0.225 201 G C 0.539 175.433 174.900 -0.010 0.000 1.345 201 G CA -0.169 44.924 45.100 -0.013 0.000 0.871 201 G HN 2.514 nan 8.290 nan 0.000 0.540 202 G N -1.066 107.742 108.800 0.012 0.000 2.355 202 G HA2 0.479 4.420 3.960 -0.032 0.000 0.619 202 G HA3 0.479 4.420 3.960 -0.032 0.000 0.619 202 G C -1.097 173.831 174.900 0.046 0.000 1.337 202 G CA 0.426 45.548 45.100 0.036 0.000 0.993 202 G HN 2.351 nan 8.290 nan 0.000 0.599 203 N N -0.588 118.156 118.700 0.073 0.000 2.699 203 N HA 0.393 5.114 4.740 -0.032 0.000 0.271 203 N C 0.875 176.439 175.510 0.091 0.000 1.216 203 N CA 0.171 53.263 53.050 0.070 0.000 0.844 203 N CB 1.452 39.979 38.487 0.066 0.000 1.462 203 N HN 0.459 nan 8.380 nan 0.000 0.555 204 S N 1.014 116.760 115.700 0.077 0.000 2.469 204 S HA -0.055 4.396 4.470 -0.032 0.000 0.238 204 S C 1.572 176.242 174.600 0.117 0.000 0.998 204 S CA 1.096 59.348 58.200 0.087 0.000 0.957 204 S CB 0.154 63.389 63.200 0.059 0.000 0.764 204 S HN 0.673 nan 8.310 nan 0.000 0.514 205 A N 1.097 123.992 122.820 0.125 0.000 2.147 205 A HA 0.126 4.427 4.320 -0.032 0.000 0.211 205 A C 2.120 179.863 177.584 0.265 0.000 1.160 205 A CA 1.172 53.318 52.037 0.181 0.000 0.781 205 A CB -0.267 18.803 19.000 0.117 0.000 0.842 205 A HN 0.570 nan 8.150 nan 0.000 0.475 206 T N -4.516 110.160 114.554 0.204 0.000 3.075 206 T HA 0.157 4.488 4.350 -0.032 0.000 0.251 206 T C 1.481 176.292 174.700 0.185 0.000 0.979 206 T CA 0.614 62.842 62.100 0.213 0.000 1.033 206 T CB -0.172 68.760 68.868 0.107 0.000 1.104 206 T HN 0.304 nan 8.240 nan 0.000 0.473 207 E N 2.236 122.508 120.200 0.119 0.000 2.072 207 E HA -0.012 4.319 4.350 -0.032 0.000 0.191 207 E C -0.777 175.793 176.600 -0.049 0.000 0.985 207 E CA 1.267 57.703 56.400 0.061 0.000 0.801 207 E CB -0.969 28.831 29.700 0.167 0.000 0.750 207 E HN 0.435 nan 8.360 nan 0.000 0.452 208 P HA -0.189 nan 4.420 nan 0.000 0.216 208 P C 0.708 177.921 177.300 -0.146 0.000 1.150 208 P CA 1.380 64.373 63.100 -0.178 0.000 0.843 208 P CB -0.102 31.398 31.700 -0.332 0.000 0.787 209 Y N -1.431 118.953 120.300 0.139 0.000 2.286 209 Y HA -0.023 4.508 4.550 -0.031 0.000 0.293 209 Y C 2.363 178.284 175.900 0.034 0.000 1.124 209 Y CA 0.572 58.773 58.100 0.168 0.000 1.178 209 Y CB -1.246 37.241 38.460 0.044 0.000 1.010 209 Y HN -0.127 nan 8.280 nan 0.000 0.536 210 I N -0.962 119.664 120.570 0.094 0.000 2.163 210 I HA -0.297 3.854 4.170 -0.032 0.000 0.243 210 I C 2.181 178.263 176.117 -0.059 0.000 1.085 210 I CA 1.143 62.443 61.300 -0.000 0.000 1.347 210 I CB -0.582 37.398 38.000 -0.034 0.000 1.044 210 I HN 0.023 nan 8.210 nan 0.000 0.408 211 V N 0.918 120.713 119.914 -0.198 0.000 2.295 211 V HA -0.320 3.781 4.120 -0.032 0.000 0.246 211 V C 2.705 178.675 176.094 -0.206 0.000 1.049 211 V CA 2.095 64.197 62.300 -0.331 0.000 1.024 211 V CB -0.995 30.460 31.823 -0.614 0.000 0.648 211 V HN 0.515 nan 8.190 nan 0.000 0.447 212 A N -0.863 121.873 122.820 -0.139 0.000 1.908 212 A HA -0.320 3.981 4.320 -0.032 0.000 0.218 212 A C 2.074 179.634 177.584 -0.041 0.000 1.181 212 A CA 2.409 54.334 52.037 -0.188 0.000 0.627 212 A CB -0.890 17.652 19.000 -0.762 0.000 0.818 212 A HN 0.725 nan 8.150 nan 0.000 0.445 213 H N 0.401 119.448 119.070 -0.038 0.000 2.319 213 H HA -0.104 4.433 4.556 -0.032 0.000 0.299 213 H C 2.012 177.353 175.328 0.021 0.000 1.092 213 H CA 2.159 58.228 56.048 0.035 0.000 1.302 213 H CB -0.020 29.727 29.762 -0.025 0.000 1.373 213 H HN 0.433 nan 8.280 nan 0.000 0.497 214 N N -0.260 118.456 118.700 0.027 0.000 2.188 214 N HA -0.139 4.582 4.740 -0.032 0.000 0.184 214 N C 1.829 177.242 175.510 -0.162 0.000 1.018 214 N CA 0.987 54.014 53.050 -0.038 0.000 0.858 214 N CB -0.520 37.948 38.487 -0.033 0.000 0.989 214 N HN 0.351 nan 8.380 nan 0.000 0.426 215 F N 1.364 121.093 119.950 -0.368 0.000 2.095 215 F HA -0.130 4.377 4.527 -0.032 0.000 0.298 215 F C 2.267 177.846 175.800 -0.369 0.000 1.104 215 F CA 0.755 58.285 58.000 -0.782 0.000 1.232 215 F CB -0.257 38.156 39.000 -0.979 0.000 0.987 215 F HN -0.029 nan 8.300 nan 0.000 0.475 216 L N -0.334 120.900 121.223 0.018 0.000 2.017 216 L HA -0.269 4.053 4.340 -0.032 0.000 0.208 216 L C 2.360 179.297 176.870 0.111 0.000 1.073 216 L CA 1.228 56.107 54.840 0.065 0.000 0.745 216 L CB -0.795 41.290 42.059 0.044 0.000 0.894 216 L HN 0.189 nan 8.230 nan 0.000 0.432 217 L N -1.068 120.198 121.223 0.072 0.000 2.012 217 L HA -0.223 4.098 4.340 -0.032 0.000 0.210 217 L C 2.743 179.711 176.870 0.163 0.000 1.073 217 L CA 1.227 56.128 54.840 0.102 0.000 0.748 217 L CB -0.601 41.509 42.059 0.086 0.000 0.891 217 L HN 0.204 nan 8.230 nan 0.000 0.431 218 S N -1.316 114.501 115.700 0.195 0.000 2.370 218 S HA -0.278 4.173 4.470 -0.032 0.000 0.226 218 S C 1.896 176.746 174.600 0.418 0.000 1.033 218 S CA 1.643 60.039 58.200 0.327 0.000 1.011 218 S CB -0.440 62.979 63.200 0.364 0.000 0.852 218 S HN 0.556 nan 8.310 nan 0.000 0.457 219 H N 1.731 121.026 119.070 0.374 0.000 2.290 219 H HA -0.019 4.518 4.556 -0.032 0.000 0.298 219 H C 2.115 177.545 175.328 0.171 0.000 1.087 219 H CA 1.836 58.070 56.048 0.310 0.000 1.291 219 H CB -0.617 29.307 29.762 0.271 0.000 1.369 219 H HN 0.297 nan 8.280 nan 0.000 0.492 220 A N 0.991 123.894 122.820 0.138 0.000 1.908 220 A HA -0.143 4.158 4.320 -0.032 0.000 0.218 220 A C 2.643 180.226 177.584 -0.003 0.000 1.181 220 A CA 2.001 54.050 52.037 0.021 0.000 0.627 220 A CB -1.480 17.549 19.000 0.048 0.000 0.818 220 A HN 0.679 nan 8.150 nan 0.000 0.445 221 A N -0.253 122.611 122.820 0.074 0.000 1.902 221 A HA 0.152 4.453 4.320 -0.032 0.000 0.217 221 A C 2.515 180.140 177.584 0.068 0.000 1.181 221 A CA 2.172 54.257 52.037 0.080 0.000 0.623 221 A CB -1.019 18.058 19.000 0.129 0.000 0.818 221 A HN 1.089 nan 8.150 nan 0.000 0.443 222 A N -0.680 122.201 122.820 0.101 0.000 1.898 222 A HA 0.028 4.329 4.320 -0.032 0.000 0.216 222 A C 2.206 179.803 177.584 0.021 0.000 1.181 222 A CA 1.748 53.834 52.037 0.081 0.000 0.620 222 A CB -0.829 18.260 19.000 0.150 0.000 0.819 222 A HN 0.392 nan 8.150 nan 0.000 0.442 223 V N -0.191 119.643 119.914 -0.133 0.000 2.427 223 V HA -0.189 3.912 4.120 -0.032 0.000 0.248 223 V C 3.020 179.072 176.094 -0.070 0.000 1.051 223 V CA 1.672 63.868 62.300 -0.173 0.000 1.048 223 V CB -1.161 30.479 31.823 -0.306 0.000 0.666 223 V HN 0.603 nan 8.190 nan 0.000 0.456 224 A N 0.703 123.492 122.820 -0.051 0.000 1.908 224 A HA -0.277 4.024 4.320 -0.032 0.000 0.218 224 A C 2.314 179.886 177.584 -0.020 0.000 1.181 224 A CA 2.300 54.318 52.037 -0.033 0.000 0.627 224 A CB -0.517 18.472 19.000 -0.019 0.000 0.818 224 A HN 0.480 nan 8.150 nan 0.000 0.445 225 R N -1.409 119.104 120.500 0.022 0.000 2.075 225 R HA -0.156 4.165 4.340 -0.032 0.000 0.232 225 R C 1.936 178.272 176.300 0.060 0.000 1.126 225 R CA 2.073 58.206 56.100 0.056 0.000 0.963 225 R CB -1.119 29.255 30.300 0.123 0.000 0.858 225 R HN 0.571 nan 8.270 nan 0.000 0.435 226 Y N 0.798 121.022 120.300 -0.126 0.000 2.145 226 Y HA -0.148 4.383 4.550 -0.032 0.000 0.286 226 Y C 2.067 177.824 175.900 -0.238 0.000 1.145 226 Y CA 2.128 60.016 58.100 -0.353 0.000 1.148 226 Y CB -0.121 37.832 38.460 -0.845 0.000 0.981 226 Y HN 0.024 nan 8.280 nan 0.000 0.507 227 R N -0.901 119.525 120.500 -0.123 0.000 2.120 227 R HA -0.122 4.199 4.340 -0.032 0.000 0.234 227 R C 2.116 178.295 176.300 -0.202 0.000 1.123 227 R CA 1.884 57.887 56.100 -0.162 0.000 0.975 227 R CB -0.496 29.758 30.300 -0.076 0.000 0.866 227 R HN 0.532 nan 8.270 nan 0.000 0.446 228 T N -2.361 112.088 114.554 -0.174 0.000 3.057 228 T HA 0.094 4.425 4.350 -0.032 0.000 0.254 228 T C 1.670 176.224 174.700 -0.244 0.000 1.094 228 T CA 0.417 62.414 62.100 -0.171 0.000 1.088 228 T CB 0.368 69.164 68.868 -0.120 0.000 0.934 228 T HN 0.123 nan 8.240 nan 0.000 0.497 229 K N -0.932 119.265 120.400 -0.337 0.000 2.403 229 K HA 0.242 4.543 4.320 -0.032 0.000 0.199 229 K C 0.910 177.047 176.600 -0.772 0.000 1.199 229 K CA -0.004 55.945 56.287 -0.562 0.000 0.924 229 K CB 0.531 32.617 32.500 -0.690 0.000 1.137 229 K HN 0.337 nan 8.250 nan 0.000 0.510 230 Y N 0.282 120.293 120.300 -0.481 0.000 2.535 230 Y HA 0.162 4.694 4.550 -0.031 0.000 0.264 230 Y C 2.235 177.719 175.900 -0.693 0.000 1.087 230 Y CA -0.172 57.590 58.100 -0.563 0.000 1.285 230 Y CB 0.156 38.250 38.460 -0.610 0.000 1.200 230 Y HN 0.029 nan 8.280 nan 0.000 0.514 231 Q N 1.526 120.850 119.800 -0.794 0.000 2.077 231 Q HA -0.243 4.078 4.340 -0.032 0.000 0.206 231 Q C 2.279 178.113 176.000 -0.277 0.000 0.989 231 Q CA 1.925 57.367 55.803 -0.603 0.000 0.853 231 Q CB -0.222 28.252 28.738 -0.441 0.000 0.907 231 Q HN 0.504 nan 8.270 nan 0.000 0.418 232 A N 0.743 123.421 122.820 -0.237 0.000 1.892 232 A HA -0.183 4.119 4.320 -0.032 0.000 0.218 232 A C 2.298 179.813 177.584 -0.116 0.000 1.188 232 A CA 2.582 54.527 52.037 -0.153 0.000 0.631 232 A CB -0.967 17.945 19.000 -0.147 0.000 0.822 232 A HN 0.561 nan 8.150 nan 0.000 0.447 233 A N -1.532 121.216 122.820 -0.120 0.000 1.898 233 A HA -0.061 4.240 4.320 -0.032 0.000 0.214 233 A C 2.090 179.648 177.584 -0.044 0.000 1.183 233 A CA 1.436 53.431 52.037 -0.070 0.000 0.622 233 A CB -0.346 18.619 19.000 -0.058 0.000 0.824 233 A HN 0.632 nan 8.150 nan 0.000 0.444 234 Q N -1.450 118.319 119.800 -0.052 0.000 2.376 234 Q HA 0.002 4.323 4.340 -0.032 0.000 0.206 234 Q C -0.289 175.721 176.000 0.017 0.000 0.921 234 Q CA 0.281 56.090 55.803 0.010 0.000 0.911 234 Q CB 0.330 29.108 28.738 0.068 0.000 1.032 234 Q HN 0.554 nan 8.270 nan 0.000 0.510 235 Q N -0.824 118.962 119.800 -0.023 0.000 2.475 235 Q HA -0.167 4.154 4.340 -0.032 0.000 0.280 235 Q C 0.083 176.091 176.000 0.014 0.000 1.234 235 Q CA 1.037 56.832 55.803 -0.014 0.000 0.873 235 Q CB -2.262 26.463 28.738 -0.021 0.000 1.256 235 Q HN 0.474 nan 8.270 nan 0.000 0.475 236 G N -0.132 108.748 108.800 0.133 0.000 2.568 236 G HA2 0.631 4.572 3.960 -0.032 0.000 0.293 236 G HA3 0.631 4.572 3.960 -0.032 0.000 0.293 236 G C -0.232 174.667 174.900 -0.001 0.000 1.347 236 G CA -0.597 44.562 45.100 0.099 0.000 1.039 236 G HN 0.050 nan 8.290 nan 0.000 0.523 237 K N -1.702 118.581 120.400 -0.194 0.000 2.482 237 K HA 0.631 4.932 4.320 -0.032 0.000 0.257 237 K C -1.598 174.741 176.600 -0.435 0.000 0.969 237 K CA -0.671 55.435 56.287 -0.301 0.000 0.842 237 K CB 2.984 35.336 32.500 -0.246 0.000 1.359 237 K HN 0.246 nan 8.250 nan 0.000 0.441 238 V N 1.059 120.627 119.914 -0.576 0.000 2.668 238 V HA 0.618 4.719 4.120 -0.032 0.000 0.304 238 V C -0.060 175.684 176.094 -0.583 0.000 1.071 238 V CA -0.721 61.272 62.300 -0.512 0.000 0.894 238 V CB 1.678 33.199 31.823 -0.503 0.000 1.008 238 V HN 1.001 nan 8.190 nan 0.000 0.425 239 G N 2.896 111.403 108.800 -0.488 0.000 3.217 239 G HA2 0.907 4.848 3.960 -0.032 0.000 0.213 239 G HA3 0.907 4.848 3.960 -0.032 0.000 0.213 239 G C -1.356 173.736 174.900 0.321 0.000 1.294 239 G CA -0.670 44.343 45.100 -0.145 0.000 0.987 239 G HN 0.738 nan 8.290 nan 0.000 0.584 240 I N -1.107 119.706 120.570 0.405 0.000 2.918 240 I HA 0.545 4.696 4.170 -0.032 0.000 0.301 240 I C -1.416 174.772 176.117 0.118 0.000 1.312 240 I CA -0.938 60.501 61.300 0.231 0.000 1.007 240 I CB 2.367 40.287 38.000 -0.133 0.000 1.281 240 I HN 0.292 nan 8.210 nan 0.000 0.440 241 V N 7.160 127.021 119.914 -0.088 0.000 2.370 241 V HA 0.469 4.570 4.120 -0.032 0.000 0.283 241 V C -0.287 175.648 176.094 -0.266 0.000 1.023 241 V CA -0.408 61.738 62.300 -0.258 0.000 0.857 241 V CB 1.224 32.776 31.823 -0.453 0.000 0.985 241 V HN 0.423 nan 8.190 nan 0.000 0.443 242 L N 5.068 126.171 121.223 -0.201 0.000 2.341 242 L HA 0.576 4.897 4.340 -0.032 0.000 0.278 242 L C -0.151 176.685 176.870 -0.056 0.000 1.005 242 L CA -0.823 53.894 54.840 -0.206 0.000 0.818 242 L CB 2.061 44.013 42.059 -0.178 0.000 1.259 242 L HN 0.670 nan 8.230 nan 0.000 0.418 243 D N 1.829 122.213 120.400 -0.027 0.000 2.345 243 D HA 0.201 4.822 4.640 -0.032 0.000 0.247 243 D C -1.050 175.528 176.300 0.464 0.000 1.108 243 D CA -0.070 54.031 54.000 0.168 0.000 0.894 243 D CB 2.300 43.178 40.800 0.130 0.000 1.203 243 D HN 0.187 nan 8.370 nan 0.000 0.430 244 F N 2.071 122.185 119.950 0.273 0.000 2.671 244 F HA 0.308 4.816 4.527 -0.032 0.000 0.332 244 F C -1.535 174.334 175.800 0.114 0.000 1.189 244 F CA -1.352 56.805 58.000 0.261 0.000 0.988 244 F CB 1.078 40.216 39.000 0.231 0.000 1.258 244 F HN 0.197 nan 8.300 nan 0.000 0.471 245 N N 4.846 123.483 118.700 -0.105 0.000 2.399 245 N HA 0.133 4.854 4.740 -0.032 0.000 0.295 245 N C -0.738 174.336 175.510 -0.727 0.000 1.048 245 N CA -0.334 52.514 53.050 -0.337 0.000 0.886 245 N CB 1.912 40.290 38.487 -0.182 0.000 1.185 245 N HN 0.752 nan 8.380 nan 0.000 0.487 246 W N 3.011 123.847 121.300 -0.773 0.000 2.190 246 W HA 0.168 4.809 4.660 -0.032 0.000 0.330 246 W C -1.107 175.033 176.519 -0.631 0.000 1.299 246 W CA -0.108 56.819 57.345 -0.697 0.000 1.215 246 W CB 0.453 29.642 29.460 -0.452 0.000 1.147 246 W HN 0.452 nan 8.180 nan 0.000 0.563 247 Y N 3.784 123.390 120.300 -1.156 0.000 2.331 247 Y HA 0.153 4.684 4.550 -0.032 0.000 0.334 247 Y C -0.283 174.968 175.900 -1.081 0.000 0.960 247 Y CA -0.900 56.703 58.100 -0.829 0.000 1.130 247 Y CB 1.706 39.878 38.460 -0.481 0.000 1.164 247 Y HN 0.364 nan 8.280 nan 0.000 0.458 248 E N 2.337 122.345 120.200 -0.320 0.000 2.171 248 E HA 0.713 5.044 4.350 -0.032 0.000 0.271 248 E C -0.921 175.775 176.600 0.161 0.000 0.916 248 E CA -0.736 55.679 56.400 0.024 0.000 0.774 248 E CB 1.333 31.275 29.700 0.403 0.000 1.128 248 E HN 0.683 nan 8.360 nan 0.000 0.403 249 A N 4.347 127.245 122.820 0.129 0.000 2.520 249 A HA 0.081 4.382 4.320 -0.032 0.000 0.245 249 A C 0.873 178.533 177.584 0.125 0.000 1.072 249 A CA -0.217 51.882 52.037 0.103 0.000 0.761 249 A CB 0.140 19.184 19.000 0.074 0.000 1.004 249 A HN 0.858 nan 8.150 nan 0.000 0.499 250 L N 3.031 124.290 121.223 0.060 0.000 2.046 250 L HA -0.014 4.307 4.340 -0.032 0.000 0.208 250 L C 1.356 178.175 176.870 -0.084 0.000 1.077 250 L CA 2.692 57.494 54.840 -0.063 0.000 0.747 250 L CB -0.504 41.505 42.059 -0.083 0.000 0.896 250 L HN 0.946 nan 8.230 nan 0.000 0.432 251 S N -2.699 112.982 115.700 -0.031 0.000 2.806 251 S HA 0.299 4.750 4.470 -0.032 0.000 0.306 251 S C 0.274 174.876 174.600 0.003 0.000 1.167 251 S CA -0.328 57.857 58.200 -0.026 0.000 0.847 251 S CB 0.821 64.003 63.200 -0.031 0.000 1.216 251 S HN 0.120 nan 8.310 nan 0.000 0.532 252 N N 1.119 119.821 118.700 0.004 0.000 2.314 252 N HA 0.156 4.877 4.740 -0.032 0.000 0.200 252 N C 0.331 175.851 175.510 0.016 0.000 1.135 252 N CA 0.222 53.283 53.050 0.017 0.000 0.835 252 N CB -0.193 38.303 38.487 0.015 0.000 0.989 252 N HN 0.709 nan 8.380 nan 0.000 0.478 253 S N -1.974 113.732 115.700 0.010 0.000 2.579 253 S HA 0.067 4.518 4.470 -0.032 0.000 0.275 253 S C 1.422 176.031 174.600 0.015 0.000 1.345 253 S CA -0.267 57.938 58.200 0.009 0.000 1.031 253 S CB 0.894 64.096 63.200 0.003 0.000 0.892 253 S HN 0.177 nan 8.310 nan 0.000 0.529 254 T N 1.472 116.035 114.554 0.015 0.000 2.635 254 T HA -0.203 4.128 4.350 -0.032 0.000 0.267 254 T C 1.651 176.360 174.700 0.016 0.000 1.040 254 T CA 1.979 64.089 62.100 0.018 0.000 1.156 254 T CB -0.722 68.155 68.868 0.015 0.000 0.863 254 T HN 0.892 nan 8.240 nan 0.000 0.430 255 E N 0.683 120.890 120.200 0.010 0.000 2.070 255 E HA -0.240 4.091 4.350 -0.032 0.000 0.197 255 E C 1.741 178.346 176.600 0.007 0.000 1.004 255 E CA 1.766 58.170 56.400 0.007 0.000 0.805 255 E CB -0.076 29.626 29.700 0.003 0.000 0.744 255 E HN 0.366 nan 8.360 nan 0.000 0.451 256 D N -0.223 120.182 120.400 0.008 0.000 2.149 256 D HA -0.119 4.502 4.640 -0.032 0.000 0.201 256 D C 2.078 178.389 176.300 0.018 0.000 0.972 256 D CA 0.650 54.656 54.000 0.010 0.000 0.835 256 D CB -0.208 40.596 40.800 0.008 0.000 0.966 256 D HN 0.197 nan 8.370 nan 0.000 0.476 257 Q N 0.475 120.290 119.800 0.025 0.000 2.084 257 Q HA -0.073 4.248 4.340 -0.032 0.000 0.202 257 Q C 2.200 178.217 176.000 0.029 0.000 0.978 257 Q CA 1.229 57.054 55.803 0.037 0.000 0.844 257 Q CB -0.424 28.342 28.738 0.046 0.000 0.898 257 Q HN 0.254 nan 8.270 nan 0.000 0.426 258 A N 1.098 123.931 122.820 0.023 0.000 1.902 258 A HA -0.116 4.185 4.320 -0.032 0.000 0.217 258 A C 2.338 179.924 177.584 0.002 0.000 1.181 258 A CA 1.952 54.000 52.037 0.018 0.000 0.623 258 A CB -0.690 18.320 19.000 0.017 0.000 0.818 258 A HN 0.376 nan 8.150 nan 0.000 0.443 259 A N 0.056 122.873 122.820 -0.005 0.000 1.851 259 A HA 0.102 4.403 4.320 -0.032 0.000 0.216 259 A C 2.574 180.124 177.584 -0.057 0.000 1.195 259 A CA 2.512 54.536 52.037 -0.023 0.000 0.622 259 A CB -1.356 17.638 19.000 -0.011 0.000 0.831 259 A HN 1.243 nan 8.150 nan 0.000 0.444 260 A N -1.202 121.590 122.820 -0.047 0.000 1.958 260 A HA -0.304 3.997 4.320 -0.032 0.000 0.221 260 A C 2.152 179.656 177.584 -0.133 0.000 1.178 260 A CA 2.540 54.521 52.037 -0.094 0.000 0.642 260 A CB -0.555 18.406 19.000 -0.066 0.000 0.816 260 A HN 0.600 nan 8.150 nan 0.000 0.453 261 Q N -0.506 119.258 119.800 -0.060 0.000 2.137 261 Q HA -0.019 4.303 4.340 -0.032 0.000 0.198 261 Q C 2.183 178.160 176.000 -0.039 0.000 0.960 261 Q CA 1.471 57.262 55.803 -0.020 0.000 0.847 261 Q CB -0.249 28.519 28.738 0.050 0.000 0.915 261 Q HN 0.654 nan 8.270 nan 0.000 0.448 262 R N -0.465 120.005 120.500 -0.050 0.000 2.081 262 R HA -0.095 4.226 4.340 -0.032 0.000 0.235 262 R C 2.164 178.343 176.300 -0.202 0.000 1.131 262 R CA 1.171 57.251 56.100 -0.034 0.000 0.960 262 R CB -0.480 29.811 30.300 -0.016 0.000 0.856 262 R HN 0.354 nan 8.270 nan 0.000 0.436 263 A N 1.338 123.939 122.820 -0.365 0.000 1.865 263 A HA -0.213 4.088 4.320 -0.032 0.000 0.217 263 A C 2.126 179.338 177.584 -0.621 0.000 1.191 263 A CA 1.423 52.996 52.037 -0.773 0.000 0.623 263 A CB -0.466 17.955 19.000 -0.965 0.000 0.826 263 A HN 0.262 nan 8.150 nan 0.000 0.444 264 R N -0.441 119.898 120.500 -0.269 0.000 2.096 264 R HA -0.154 4.167 4.340 -0.032 0.000 0.240 264 R C 1.765 178.098 176.300 0.055 0.000 1.139 264 R CA 1.634 57.746 56.100 0.021 0.000 0.952 264 R CB -0.519 29.734 30.300 -0.078 0.000 0.854 264 R HN 0.517 nan 8.270 nan 0.000 0.436 265 D N -0.157 120.237 120.400 -0.009 0.000 2.117 265 D HA -0.123 4.498 4.640 -0.032 0.000 0.198 265 D C 1.713 177.934 176.300 -0.131 0.000 0.982 265 D CA 1.181 55.178 54.000 -0.005 0.000 0.828 265 D CB -0.131 40.647 40.800 -0.037 0.000 0.967 265 D HN 0.121 nan 8.370 nan 0.000 0.464 266 F N -0.195 119.483 119.950 -0.453 0.000 2.325 266 F HA -0.046 4.461 4.527 -0.032 0.000 0.299 266 F C 2.331 178.007 175.800 -0.207 0.000 1.090 266 F CA 0.805 58.428 58.000 -0.630 0.000 1.392 266 F CB -0.097 37.898 39.000 -1.676 0.000 1.053 266 F HN 0.073 nan 8.300 nan 0.000 0.521 267 H N -1.090 117.943 119.070 -0.062 0.000 2.273 267 H HA -0.019 4.518 4.556 -0.032 0.000 0.311 267 H C 1.974 177.553 175.328 0.418 0.000 1.057 267 H CA 1.855 58.122 56.048 0.365 0.000 1.360 267 H CB -0.029 30.052 29.762 0.531 0.000 1.414 267 H HN 0.094 nan 8.280 nan 0.000 0.516 268 I N -0.032 120.802 120.570 0.441 0.000 3.172 268 I HA 0.207 4.358 4.170 -0.032 0.000 0.278 268 I C 2.331 178.569 176.117 0.202 0.000 1.174 268 I CA 1.105 62.528 61.300 0.205 0.000 1.445 268 I CB -0.357 37.422 38.000 -0.370 0.000 1.175 268 I HN 0.394 nan 8.210 nan 0.000 0.447 269 G N 0.232 109.169 108.800 0.229 0.000 2.442 269 G HA2 -0.326 3.615 3.960 -0.032 0.000 0.219 269 G HA3 -0.326 3.615 3.960 -0.032 0.000 0.219 269 G C 1.473 176.527 174.900 0.257 0.000 1.141 269 G CA 0.791 46.039 45.100 0.246 0.000 0.763 269 G HN 0.514 nan 8.290 nan 0.000 0.554 270 W N 0.855 122.178 121.300 0.038 0.000 2.292 270 W HA -0.188 4.453 4.660 -0.031 0.000 0.304 270 W C 1.811 178.209 176.519 -0.202 0.000 1.228 270 W CA 1.440 58.745 57.345 -0.066 0.000 1.241 270 W CB -0.512 28.888 29.460 -0.099 0.000 1.142 270 W HN 0.406 nan 8.180 nan 0.000 0.520 271 Y N -2.477 117.907 120.300 0.140 0.000 2.581 271 Y HA 0.147 4.678 4.550 -0.031 0.000 0.271 271 Y C 2.386 178.198 175.900 -0.146 0.000 1.100 271 Y CA 0.329 58.380 58.100 -0.083 0.000 1.281 271 Y CB -0.830 37.506 38.460 -0.207 0.000 1.237 271 Y HN -0.272 nan 8.280 nan 0.000 0.514 272 L N -0.088 121.120 121.223 -0.025 0.000 2.109 272 L HA -0.171 4.150 4.340 -0.032 0.000 0.207 272 L C 1.749 178.495 176.870 -0.206 0.000 1.086 272 L CA 1.339 56.006 54.840 -0.288 0.000 0.760 272 L CB -0.261 41.363 42.059 -0.725 0.000 0.910 272 L HN 0.285 nan 8.230 nan 0.000 0.437 273 D N -0.153 120.233 120.400 -0.023 0.000 2.117 273 D HA -0.133 4.488 4.640 -0.032 0.000 0.197 273 D C -0.572 175.576 176.300 -0.253 0.000 0.987 273 D CA 1.382 55.354 54.000 -0.047 0.000 0.829 273 D CB -0.897 39.883 40.800 -0.033 0.000 0.961 273 D HN 0.271 nan 8.370 nan 0.000 0.460 274 P HA -0.058 nan 4.420 nan 0.000 0.215 274 P C 1.841 178.954 177.300 -0.311 0.000 1.157 274 P CA 0.725 63.593 63.100 -0.387 0.000 0.863 274 P CB -0.020 31.401 31.700 -0.464 0.000 0.787 275 L N -1.439 119.648 121.223 -0.226 0.000 2.141 275 L HA -0.116 4.205 4.340 -0.032 0.000 0.209 275 L C 2.083 178.871 176.870 -0.137 0.000 1.094 275 L CA 1.129 55.861 54.840 -0.179 0.000 0.763 275 L CB -0.551 41.406 42.059 -0.170 0.000 0.908 275 L HN -0.034 nan 8.230 nan 0.000 0.437 276 I N -0.905 119.592 120.570 -0.123 0.000 2.927 276 I HA -0.038 4.113 4.170 -0.032 0.000 0.268 276 I C 1.365 177.460 176.117 -0.037 0.000 1.153 276 I CA 0.969 62.243 61.300 -0.043 0.000 1.459 276 I CB -0.679 37.357 38.000 0.060 0.000 1.149 276 I HN 0.304 nan 8.210 nan 0.000 0.443 277 N N 0.476 119.116 118.700 -0.099 0.000 2.181 277 N HA 0.129 4.850 4.740 -0.032 0.000 0.207 277 N C 1.254 176.697 175.510 -0.112 0.000 1.182 277 N CA 0.864 53.851 53.050 -0.105 0.000 0.893 277 N CB 1.212 39.587 38.487 -0.186 0.000 1.032 277 N HN 0.348 nan 8.380 nan 0.000 0.513 278 G N 1.698 110.376 108.800 -0.204 0.000 2.198 278 G HA2 -0.261 3.680 3.960 -0.032 0.000 0.257 278 G HA3 -0.261 3.680 3.960 -0.032 0.000 0.257 278 G C -0.349 174.483 174.900 -0.112 0.000 1.042 278 G CA 1.011 45.991 45.100 -0.200 0.000 0.791 278 G HN 0.769 nan 8.290 nan 0.000 0.502 279 H N -3.941 115.044 119.070 -0.141 0.000 3.068 279 H HA 0.622 5.159 4.556 -0.031 0.000 0.342 279 H C -0.560 174.773 175.328 0.008 0.000 1.284 279 H CA -1.615 54.410 56.048 -0.039 0.000 1.181 279 H CB 0.189 29.977 29.762 0.043 0.000 1.898 279 H HN 0.085 nan 8.280 nan 0.000 0.540 280 Y N 0.931 121.419 120.300 0.314 0.000 2.426 280 Y HA 0.252 4.783 4.550 -0.032 0.000 0.344 280 Y C -1.918 174.108 175.900 0.210 0.000 1.256 280 Y CA -1.782 56.445 58.100 0.212 0.000 1.451 280 Y CB 0.082 38.656 38.460 0.190 0.000 1.342 280 Y HN 0.556 nan 8.280 nan 0.000 0.600 281 P HA -0.059 nan 4.420 nan 0.000 0.267 281 P C 0.164 177.528 177.300 0.106 0.000 1.200 281 P CA 0.115 63.305 63.100 0.150 0.000 0.772 281 P CB 0.720 32.424 31.700 0.006 0.000 0.855 282 Q N 2.951 122.813 119.800 0.103 0.000 2.061 282 Q HA -0.185 4.136 4.340 -0.032 0.000 0.204 282 Q C 1.631 177.626 176.000 -0.007 0.000 0.984 282 Q CA 1.807 57.637 55.803 0.045 0.000 0.846 282 Q CB -1.186 27.573 28.738 0.035 0.000 0.902 282 Q HN 0.388 nan 8.270 nan 0.000 0.421 283 I N -0.181 120.375 120.570 -0.023 0.000 2.194 283 I HA -0.286 3.865 4.170 -0.032 0.000 0.246 283 I C 1.957 178.017 176.117 -0.095 0.000 1.093 283 I CA 1.683 62.966 61.300 -0.027 0.000 1.355 283 I CB -0.308 37.698 38.000 0.010 0.000 1.046 283 I HN 0.350 nan 8.210 nan 0.000 0.413 284 M N -0.857 118.567 119.600 -0.293 0.000 2.117 284 M HA -0.248 4.213 4.480 -0.032 0.000 0.262 284 M C 2.231 178.390 176.300 -0.235 0.000 1.065 284 M CA 1.701 56.726 55.300 -0.458 0.000 1.114 284 M CB -0.495 31.669 32.600 -0.726 0.000 1.361 284 M HN 0.300 nan 8.290 nan 0.000 0.408 285 Q N 0.283 120.005 119.800 -0.130 0.000 2.084 285 Q HA -0.190 4.131 4.340 -0.032 0.000 0.202 285 Q C 1.557 177.517 176.000 -0.067 0.000 0.978 285 Q CA 1.278 57.034 55.803 -0.078 0.000 0.844 285 Q CB -0.179 28.557 28.738 -0.003 0.000 0.898 285 Q HN 0.482 nan 8.270 nan 0.000 0.426 286 D N 0.429 120.803 120.400 -0.043 0.000 2.097 286 D HA -0.096 4.525 4.640 -0.032 0.000 0.197 286 D C 1.910 178.201 176.300 -0.016 0.000 0.984 286 D CA 1.033 55.020 54.000 -0.022 0.000 0.826 286 D CB -0.012 40.786 40.800 -0.004 0.000 0.973 286 D HN 0.196 nan 8.370 nan 0.000 0.460 287 L N -0.109 121.116 121.223 0.004 0.000 2.168 287 L HA -0.005 4.316 4.340 -0.032 0.000 0.203 287 L C 2.310 179.178 176.870 -0.003 0.000 1.078 287 L CA 0.378 55.242 54.840 0.040 0.000 0.780 287 L CB -0.076 42.075 42.059 0.154 0.000 0.939 287 L HN -0.098 nan 8.230 nan 0.000 0.451 288 V N -0.943 118.930 119.914 -0.068 0.000 2.788 288 V HA -0.067 4.034 4.120 -0.032 0.000 0.251 288 V C 1.260 177.234 176.094 -0.200 0.000 1.068 288 V CA 0.541 62.727 62.300 -0.191 0.000 1.090 288 V CB -0.533 31.011 31.823 -0.464 0.000 0.710 288 V HN 0.423 nan 8.190 nan 0.000 0.467 289 K N -0.328 119.978 120.400 -0.156 0.000 1.867 289 K HA -0.326 3.975 4.320 -0.032 0.000 0.140 289 K C 0.745 177.256 176.600 -0.148 0.000 1.408 289 K CA 1.691 57.905 56.287 -0.121 0.000 0.461 289 K CB -1.289 31.163 32.500 -0.080 0.000 0.594 289 K HN 0.250 nan 8.250 nan 0.000 0.888 290 D N 0.929 121.263 120.400 -0.111 0.000 2.392 290 D HA -0.019 4.602 4.640 -0.032 0.000 0.228 290 D C 1.419 177.641 176.300 -0.130 0.000 1.003 290 D CA 0.751 54.687 54.000 -0.106 0.000 0.917 290 D CB -0.038 40.720 40.800 -0.070 0.000 0.890 290 D HN 0.212 nan 8.370 nan 0.000 0.532 291 R N -0.436 119.961 120.500 -0.171 0.000 2.297 291 R HA 0.105 4.426 4.340 -0.032 0.000 0.197 291 R C 0.129 176.235 176.300 -0.324 0.000 0.943 291 R CA -0.158 55.827 56.100 -0.190 0.000 1.038 291 R CB 0.333 30.533 30.300 -0.168 0.000 0.957 291 R HN 0.028 nan 8.270 nan 0.000 0.484 292 L N 1.916 122.910 121.223 -0.381 0.000 2.265 292 L HA 0.402 4.723 4.340 -0.032 0.000 0.289 292 L C -2.509 174.167 176.870 -0.323 0.000 1.033 292 L CA -2.518 52.047 54.840 -0.459 0.000 0.814 292 L CB 1.095 42.831 42.059 -0.538 0.000 1.203 292 L HN -0.216 nan 8.230 nan 0.000 0.423 293 P HA 0.133 nan 4.420 nan 0.000 0.267 293 P C -1.260 175.835 177.300 -0.342 0.000 1.200 293 P CA -0.115 62.696 63.100 -0.480 0.000 0.772 293 P CB 0.436 31.518 31.700 -1.030 0.000 0.855 294 K N 1.924 122.188 120.400 -0.227 0.000 2.156 294 K HA 0.428 4.729 4.320 -0.032 0.000 0.271 294 K C -0.544 176.053 176.600 -0.006 0.000 0.995 294 K CA -0.200 56.065 56.287 -0.037 0.000 0.890 294 K CB 0.121 32.629 32.500 0.014 0.000 1.073 294 K HN 0.247 nan 8.250 nan 0.000 0.454 295 F N 1.466 121.570 119.950 0.257 0.000 2.427 295 F HA 0.118 4.626 4.527 -0.032 0.000 0.352 295 F C 1.300 177.165 175.800 0.108 0.000 1.100 295 F CA -0.430 57.687 58.000 0.194 0.000 1.191 295 F CB 0.578 39.625 39.000 0.079 0.000 1.128 295 F HN 0.490 nan 8.300 nan 0.000 0.533 296 T N 1.452 116.171 114.554 0.275 0.000 2.856 296 T HA 0.142 4.473 4.350 -0.032 0.000 0.306 296 T C -1.825 172.964 174.700 0.149 0.000 1.062 296 T CA -1.447 60.753 62.100 0.166 0.000 1.083 296 T CB 1.104 70.046 68.868 0.122 0.000 0.984 296 T HN 0.314 nan 8.240 nan 0.000 0.542 297 P HA -0.158 nan 4.420 nan 0.000 0.216 297 P C 1.525 178.851 177.300 0.043 0.000 1.153 297 P CA 1.337 64.475 63.100 0.063 0.000 0.858 297 P CB 0.032 31.758 31.700 0.044 0.000 0.789 298 E N -0.193 120.034 120.200 0.046 0.000 2.107 298 E HA -0.178 4.153 4.350 -0.032 0.000 0.191 298 E C 2.091 178.706 176.600 0.025 0.000 0.982 298 E CA 0.906 57.323 56.400 0.028 0.000 0.809 298 E CB -0.732 28.986 29.700 0.030 0.000 0.756 298 E HN 0.429 nan 8.360 nan 0.000 0.459 299 Q N 0.921 120.761 119.800 0.067 0.000 2.050 299 Q HA -0.116 4.205 4.340 -0.032 0.000 0.202 299 Q C 2.336 178.298 176.000 -0.064 0.000 0.980 299 Q CA 1.597 57.445 55.803 0.075 0.000 0.840 299 Q CB -0.266 28.615 28.738 0.239 0.000 0.898 299 Q HN 0.316 nan 8.270 nan 0.000 0.424 300 A N 1.133 123.907 122.820 -0.076 0.000 1.883 300 A HA -0.236 4.065 4.320 -0.032 0.000 0.217 300 A C 2.049 179.526 177.584 -0.179 0.000 1.186 300 A CA 1.761 53.646 52.037 -0.253 0.000 0.624 300 A CB -0.475 18.459 19.000 -0.109 0.000 0.822 300 A HN 0.141 nan 8.150 nan 0.000 0.444 301 R N -0.566 119.884 120.500 -0.082 0.000 2.120 301 R HA -0.054 4.267 4.340 -0.032 0.000 0.234 301 R C 1.762 178.019 176.300 -0.071 0.000 1.123 301 R CA 1.517 57.580 56.100 -0.062 0.000 0.975 301 R CB -0.831 29.451 30.300 -0.030 0.000 0.866 301 R HN 0.444 nan 8.270 nan 0.000 0.446 302 L N -0.712 120.467 121.223 -0.072 0.000 2.131 302 L HA 0.018 4.339 4.340 -0.032 0.000 0.206 302 L C 1.854 178.675 176.870 -0.082 0.000 1.087 302 L CA 1.173 55.977 54.840 -0.060 0.000 0.767 302 L CB -0.116 41.924 42.059 -0.032 0.000 0.917 302 L HN 0.024 nan 8.230 nan 0.000 0.441 303 V N -0.678 119.140 119.914 -0.160 0.000 2.346 303 V HA -0.158 3.943 4.120 -0.032 0.000 0.244 303 V C 1.386 177.384 176.094 -0.160 0.000 1.037 303 V CA 0.842 63.024 62.300 -0.197 0.000 1.029 303 V CB -0.554 30.985 31.823 -0.474 0.000 0.663 303 V HN 0.333 nan 8.190 nan 0.000 0.454 304 K N 0.380 120.668 120.400 -0.188 0.000 2.524 304 K HA 0.171 4.472 4.320 -0.032 0.000 0.279 304 K C 1.138 177.691 176.600 -0.078 0.000 0.993 304 K CA 0.880 57.086 56.287 -0.135 0.000 1.030 304 K CB 0.201 32.631 32.500 -0.117 0.000 0.891 304 K HN 0.502 nan 8.250 nan 0.000 0.488 305 G N 2.143 110.907 108.800 -0.060 0.000 2.189 305 G HA2 -0.337 3.604 3.960 -0.032 0.000 0.267 305 G HA3 -0.337 3.604 3.960 -0.032 0.000 0.267 305 G C 0.518 175.402 174.900 -0.026 0.000 0.975 305 G CA 0.870 45.947 45.100 -0.037 0.000 0.644 305 G HN 0.805 nan 8.290 nan 0.000 0.537 306 S N -0.957 114.741 115.700 -0.002 0.000 2.701 306 S HA 0.664 5.115 4.470 -0.032 0.000 0.220 306 S C 0.833 175.516 174.600 0.139 0.000 0.954 306 S CA 0.983 59.207 58.200 0.039 0.000 0.936 306 S CB 0.529 63.766 63.200 0.062 0.000 0.777 306 S HN 1.858 nan 8.310 nan 0.000 0.518 307 A N 0.874 123.735 122.820 0.068 0.000 2.311 307 A HA 0.572 4.873 4.320 -0.032 0.000 0.306 307 A C 0.319 177.838 177.584 -0.107 0.000 1.189 307 A CA -0.705 51.346 52.037 0.024 0.000 0.791 307 A CB 0.880 19.882 19.000 0.003 0.000 1.172 307 A HN 0.154 nan 8.150 nan 0.000 0.481 308 D N 0.694 120.925 120.400 -0.282 0.000 2.219 308 D HA 0.014 4.635 4.640 -0.032 0.000 0.205 308 D C -0.094 176.064 176.300 -0.237 0.000 0.970 308 D CA 2.227 56.027 54.000 -0.333 0.000 0.851 308 D CB -0.078 40.413 40.800 -0.514 0.000 0.943 308 D HN 0.678 nan 8.370 nan 0.000 0.488 309 Y N -1.892 118.429 120.300 0.035 0.000 2.624 309 Y HA 0.481 5.012 4.550 -0.032 0.000 0.334 309 Y C -1.125 174.839 175.900 0.106 0.000 1.155 309 Y CA -1.684 56.459 58.100 0.073 0.000 1.046 309 Y CB 0.750 39.268 38.460 0.097 0.000 1.316 309 Y HN -0.366 nan 8.280 nan 0.000 0.457 310 I N 2.411 123.184 120.570 0.338 0.000 2.330 310 I HA 0.479 4.630 4.170 -0.032 0.000 0.289 310 I C 0.587 176.843 176.117 0.232 0.000 1.001 310 I CA -0.652 60.782 61.300 0.223 0.000 1.193 310 I CB 1.029 39.078 38.000 0.082 0.000 1.345 310 I HN 0.937 nan 8.210 nan 0.000 0.461 311 G N 7.386 116.315 108.800 0.215 0.000 2.355 311 G HA2 0.507 4.448 3.960 -0.032 0.000 0.276 311 G HA3 0.507 4.448 3.960 -0.032 0.000 0.276 311 G C -0.282 174.604 174.900 -0.023 0.000 1.198 311 G CA -0.286 44.826 45.100 0.021 0.000 0.876 311 G HN 0.388 nan 8.290 nan 0.000 0.478 312 I N 2.446 123.026 120.570 0.016 0.000 2.362 312 I HA 0.212 4.363 4.170 -0.032 0.000 0.289 312 I C -0.655 175.475 176.117 0.021 0.000 0.994 312 I CA -1.424 59.920 61.300 0.073 0.000 1.158 312 I CB 1.493 39.608 38.000 0.191 0.000 1.315 312 I HN 0.286 nan 8.210 nan 0.000 0.451 313 N N 5.886 124.593 118.700 0.011 0.000 2.415 313 N HA 0.167 4.888 4.740 -0.032 0.000 0.246 313 N C -0.194 175.347 175.510 0.052 0.000 1.078 313 N CA -0.131 52.901 53.050 -0.029 0.000 0.942 313 N CB 0.998 39.478 38.487 -0.011 0.000 1.140 313 N HN 0.420 nan 8.380 nan 0.000 0.501 314 Q N 2.212 121.974 119.800 -0.063 0.000 2.322 314 Q HA 0.291 4.612 4.340 -0.032 0.000 0.265 314 Q C -0.659 175.296 176.000 -0.076 0.000 0.985 314 Q CA -0.312 55.514 55.803 0.038 0.000 0.849 314 Q CB 1.192 29.993 28.738 0.105 0.000 1.274 314 Q HN 0.623 nan 8.270 nan 0.000 0.449 315 Y N 0.509 120.964 120.300 0.259 0.000 2.820 315 Y HA 0.195 4.725 4.550 -0.032 0.000 0.261 315 Y C 0.909 177.031 175.900 0.370 0.000 1.123 315 Y CA 0.074 58.382 58.100 0.347 0.000 1.217 315 Y CB 1.473 40.221 38.460 0.480 0.000 1.432 315 Y HN 0.515 nan 8.280 nan 0.000 0.461 316 T N -0.530 114.282 114.554 0.430 0.000 2.696 316 T HA 0.845 5.176 4.350 -0.032 0.000 0.291 316 T C -1.876 172.848 174.700 0.040 0.000 1.095 316 T CA -0.117 62.157 62.100 0.290 0.000 1.026 316 T CB 1.460 70.574 68.868 0.410 0.000 1.390 316 T HN 0.157 nan 8.240 nan 0.000 0.513 317 A N 0.763 123.542 122.820 -0.067 0.000 2.572 317 A HA 0.809 5.110 4.320 -0.032 0.000 0.295 317 A C -1.132 176.284 177.584 -0.280 0.000 1.072 317 A CA -0.524 51.370 52.037 -0.238 0.000 0.691 317 A CB 1.787 20.550 19.000 -0.394 0.000 1.291 317 A HN 0.712 nan 8.150 nan 0.000 0.404 318 S N -0.360 115.153 115.700 -0.311 0.000 2.564 318 S HA 0.670 5.121 4.470 -0.032 0.000 0.274 318 S C -1.592 172.879 174.600 -0.216 0.000 1.124 318 S CA -0.344 57.719 58.200 -0.228 0.000 0.869 318 S CB 0.865 64.120 63.200 0.091 0.000 1.105 318 S HN 0.481 nan 8.310 nan 0.000 0.472 319 Y N 1.745 121.976 120.300 -0.115 0.000 2.299 319 Y HA 0.518 5.049 4.550 -0.031 0.000 0.326 319 Y C 0.468 176.313 175.900 -0.092 0.000 1.164 319 Y CA -0.516 57.536 58.100 -0.080 0.000 1.234 319 Y CB 0.583 38.980 38.460 -0.106 0.000 1.219 319 Y HN 0.321 nan 8.280 nan 0.000 0.497 320 M N 3.290 122.979 119.600 0.148 0.000 2.393 320 M HA 0.348 4.809 4.480 -0.032 0.000 0.316 320 M C -0.719 175.603 176.300 0.036 0.000 1.087 320 M CA -0.924 54.419 55.300 0.072 0.000 0.937 320 M CB 2.044 34.676 32.600 0.052 0.000 1.668 320 M HN 0.581 nan 8.290 nan 0.000 0.438 321 K N 0.639 121.047 120.400 0.012 0.000 2.259 321 K HA 0.752 5.053 4.320 -0.032 0.000 0.252 321 K C 0.010 176.611 176.600 0.001 0.000 0.936 321 K CA -0.392 55.896 56.287 0.000 0.000 0.810 321 K CB 2.167 34.661 32.500 -0.009 0.000 1.143 321 K HN 0.876 nan 8.250 nan 0.000 0.427 322 G N 1.275 110.075 108.800 -0.001 0.000 2.606 322 G HA2 0.481 4.422 3.960 -0.032 0.000 0.262 322 G HA3 0.481 4.422 3.960 -0.032 0.000 0.262 322 G C -1.169 173.729 174.900 -0.004 0.000 1.394 322 G CA -0.266 44.833 45.100 -0.002 0.000 1.044 322 G HN 0.674 nan 8.290 nan 0.000 0.553 323 Q N -1.652 118.145 119.800 -0.004 0.000 2.920 323 Q HA 0.067 4.388 4.340 -0.032 0.000 0.255 323 Q C -1.638 174.359 176.000 -0.004 0.000 0.976 323 Q CA -0.900 54.900 55.803 -0.005 0.000 0.862 323 Q CB 0.375 29.108 28.738 -0.008 0.000 1.952 323 Q HN 0.372 nan 8.270 nan 0.000 0.489 324 Q N 1.853 121.651 119.800 -0.004 0.000 2.263 324 Q HA 0.194 4.515 4.340 -0.032 0.000 0.289 324 Q C -0.339 175.658 176.000 -0.005 0.000 1.061 324 Q CA 0.485 56.287 55.803 -0.003 0.000 0.927 324 Q CB 0.418 29.154 28.738 -0.002 0.000 1.154 324 Q HN 0.557 nan 8.270 nan 0.000 0.378 325 L N 4.535 125.756 121.223 -0.003 0.000 2.513 325 L HA 0.036 4.357 4.340 -0.032 0.000 0.272 325 L C 0.388 177.254 176.870 -0.006 0.000 1.187 325 L CA 0.310 55.147 54.840 -0.005 0.000 0.895 325 L CB 0.177 42.236 42.059 0.001 0.000 1.147 325 L HN 0.385 nan 8.230 nan 0.000 0.483 326 M N 2.749 122.344 119.600 -0.010 0.000 2.578 326 M HA 0.285 4.746 4.480 -0.032 0.000 0.321 326 M C -0.340 175.954 176.300 -0.009 0.000 1.182 326 M CA -0.917 54.378 55.300 -0.009 0.000 0.965 326 M CB 1.478 34.071 32.600 -0.012 0.000 1.694 326 M HN 0.398 nan 8.290 nan 0.000 0.461 327 Q N 2.140 121.935 119.800 -0.008 0.000 2.286 327 Q HA 0.208 4.529 4.340 -0.032 0.000 0.267 327 Q C -1.398 174.597 176.000 -0.010 0.000 1.028 327 Q CA 0.784 56.582 55.803 -0.008 0.000 0.901 327 Q CB 0.659 29.392 28.738 -0.007 0.000 1.183 327 Q HN 0.570 nan 8.270 nan 0.000 0.392 328 Q N 2.045 121.838 119.800 -0.011 0.000 2.397 328 Q HA 0.414 4.735 4.340 -0.032 0.000 0.275 328 Q C -0.983 175.011 176.000 -0.010 0.000 1.090 328 Q CA -0.925 54.871 55.803 -0.012 0.000 0.809 328 Q CB 2.191 30.919 28.738 -0.018 0.000 1.362 328 Q HN 0.556 nan 8.270 nan 0.000 0.431 329 T N 3.720 118.269 114.554 -0.008 0.000 2.817 329 T HA 0.166 4.497 4.350 -0.032 0.000 0.295 329 T C -2.251 172.448 174.700 -0.002 0.000 0.958 329 T CA -0.789 61.308 62.100 -0.005 0.000 1.157 329 T CB -0.071 68.795 68.868 -0.004 0.000 0.898 329 T HN 0.241 nan 8.240 nan 0.000 0.536 330 P HA 0.157 nan 4.420 nan 0.000 0.267 330 P C 0.777 178.089 177.300 0.021 0.000 1.205 330 P CA -0.150 62.960 63.100 0.017 0.000 0.765 330 P CB 0.626 32.340 31.700 0.023 0.000 0.828 331 T N -1.666 112.902 114.554 0.023 0.000 3.105 331 T HA 0.268 4.599 4.350 -0.032 0.000 0.257 331 T C 0.339 175.061 174.700 0.036 0.000 0.949 331 T CA 0.339 62.451 62.100 0.019 0.000 0.959 331 T CB 0.015 68.881 68.868 -0.003 0.000 1.205 331 T HN 0.512 nan 8.240 nan 0.000 0.496 332 S N -0.433 115.292 115.700 0.042 0.000 2.542 332 S HA 0.398 4.849 4.470 -0.032 0.000 0.276 332 S C 0.088 174.735 174.600 0.078 0.000 1.148 332 S CA -0.416 57.815 58.200 0.052 0.000 0.886 332 S CB 0.986 64.178 63.200 -0.014 0.000 1.109 332 S HN 0.312 nan 8.310 nan 0.000 0.458 333 Y N 4.084 124.386 120.300 0.004 0.000 2.207 333 Y HA -0.067 4.464 4.550 -0.032 0.000 0.287 333 Y C 2.056 177.921 175.900 -0.059 0.000 1.156 333 Y CA 2.625 60.732 58.100 0.012 0.000 1.182 333 Y CB -0.653 37.676 38.460 -0.217 0.000 0.979 333 Y HN 0.680 nan 8.280 nan 0.000 0.521 334 S N 0.730 116.144 115.700 -0.476 0.000 2.356 334 S HA -0.168 4.283 4.470 -0.032 0.000 0.223 334 S C 2.240 176.388 174.600 -0.753 0.000 1.032 334 S CA 1.178 58.848 58.200 -0.883 0.000 1.005 334 S CB -0.875 62.013 63.200 -0.521 0.000 0.867 334 S HN 0.659 nan 8.310 nan 0.000 0.449 335 A N 1.592 124.185 122.820 -0.378 0.000 2.121 335 A HA -0.082 4.219 4.320 -0.032 0.000 0.218 335 A C 1.572 179.022 177.584 -0.223 0.000 1.154 335 A CA 1.148 53.029 52.037 -0.260 0.000 0.679 335 A CB -0.429 18.485 19.000 -0.143 0.000 0.795 335 A HN 0.290 nan 8.150 nan 0.000 0.458 336 D N -0.919 119.352 120.400 -0.215 0.000 2.264 336 D HA -0.145 4.476 4.640 -0.032 0.000 0.208 336 D C 1.287 177.341 176.300 -0.409 0.000 0.966 336 D CA 0.785 54.683 54.000 -0.171 0.000 0.864 336 D CB -0.257 40.562 40.800 0.032 0.000 0.933 336 D HN 0.702 nan 8.370 nan 0.000 0.499 337 W N 1.066 121.787 121.300 -0.966 0.000 2.425 337 W HA 0.018 4.658 4.660 -0.032 0.000 0.277 337 W C 0.819 177.032 176.519 -0.511 0.000 1.231 337 W CA 0.147 56.858 57.345 -1.056 0.000 1.248 337 W CB -0.841 28.132 29.460 -0.812 0.000 1.117 337 W HN 0.093 nan 8.180 nan 0.000 0.568 338 Q N -0.551 119.171 119.800 -0.130 0.000 2.435 338 Q HA -0.163 4.158 4.340 -0.032 0.000 0.312 338 Q C -0.237 175.735 176.000 -0.047 0.000 1.333 338 Q CA 0.770 56.524 55.803 -0.082 0.000 0.883 338 Q CB -2.303 26.396 28.738 -0.065 0.000 1.170 338 Q HN 0.246 nan 8.270 nan 0.000 0.443 339 V N -4.392 115.503 119.914 -0.032 0.000 3.126 339 V HA 0.848 4.949 4.120 -0.032 0.000 0.314 339 V C 0.028 176.115 176.094 -0.010 0.000 1.138 339 V CA -0.712 61.586 62.300 -0.004 0.000 1.034 339 V CB 2.630 34.475 31.823 0.038 0.000 1.075 339 V HN 0.070 nan 8.190 nan 0.000 0.442 340 T N 2.324 116.885 114.554 0.011 0.000 2.809 340 T HA 0.451 4.782 4.350 -0.032 0.000 0.284 340 T C -0.955 173.778 174.700 0.055 0.000 0.992 340 T CA -0.047 62.069 62.100 0.027 0.000 0.957 340 T CB 0.780 69.658 68.868 0.016 0.000 0.942 340 T HN 0.850 nan 8.240 nan 0.000 0.439 341 Y N 5.158 125.431 120.300 -0.045 0.000 2.425 341 Y HA 0.460 4.991 4.550 -0.031 0.000 0.331 341 Y C -0.200 175.658 175.900 -0.069 0.000 1.157 341 Y CA -0.463 57.602 58.100 -0.058 0.000 1.372 341 Y CB 0.443 38.830 38.460 -0.122 0.000 1.253 341 Y HN 0.449 nan 8.280 nan 0.000 0.536 342 V N 3.838 123.211 119.914 -0.901 0.000 2.789 342 V HA 0.370 4.471 4.120 -0.032 0.000 0.311 342 V C -0.152 175.460 176.094 -0.802 0.000 1.073 342 V CA -1.011 60.886 62.300 -0.672 0.000 0.921 342 V CB 1.336 33.050 31.823 -0.182 0.000 1.009 342 V HN 0.898 nan 8.190 nan 0.000 0.426 343 F N 2.445 122.172 119.950 -0.372 0.000 2.060 343 F HA 0.487 4.995 4.527 -0.032 0.000 0.295 343 F C 1.568 177.388 175.800 0.034 0.000 1.120 343 F CA 2.238 60.156 58.000 -0.138 0.000 1.205 343 F CB -0.013 39.022 39.000 0.058 0.000 0.986 343 F HN 0.865 nan 8.300 nan 0.000 0.470 344 A N -0.713 122.267 122.820 0.267 0.000 2.437 344 A HA 0.660 4.961 4.320 -0.032 0.000 0.292 344 A C -0.890 176.692 177.584 -0.003 0.000 1.173 344 A CA -0.593 51.577 52.037 0.222 0.000 0.785 344 A CB 1.560 20.659 19.000 0.164 0.000 1.351 344 A HN 0.075 nan 8.150 nan 0.000 0.431 345 K N 0.340 120.689 120.400 -0.085 0.000 2.464 345 K HA 0.381 4.682 4.320 -0.032 0.000 0.253 345 K C -0.753 175.784 176.600 -0.106 0.000 0.933 345 K CA -0.547 55.566 56.287 -0.290 0.000 0.801 345 K CB 0.877 32.934 32.500 -0.738 0.000 1.271 345 K HN 0.658 nan 8.250 nan 0.000 0.430 346 N N 2.106 120.749 118.700 -0.095 0.000 2.696 346 N HA -0.222 4.499 4.740 -0.032 0.000 0.249 346 N C 0.483 175.988 175.510 -0.008 0.000 1.090 346 N CA 1.705 54.729 53.050 -0.043 0.000 0.716 346 N CB -1.250 37.216 38.487 -0.036 0.000 1.020 346 N HN 1.089 nan 8.380 nan 0.000 0.548 347 G N -1.973 106.827 108.800 0.001 0.000 2.162 347 G HA2 -0.343 3.598 3.960 -0.032 0.000 0.260 347 G HA3 -0.343 3.598 3.960 -0.032 0.000 0.260 347 G C -0.024 174.906 174.900 0.051 0.000 0.976 347 G CA 0.828 45.942 45.100 0.024 0.000 0.655 347 G HN 0.361 nan 8.290 nan 0.000 0.533 348 K N 0.671 121.113 120.400 0.070 0.000 2.207 348 K HA 0.557 4.858 4.320 -0.032 0.000 0.255 348 K C -2.571 174.135 176.600 0.175 0.000 0.941 348 K CA -2.159 54.196 56.287 0.113 0.000 0.825 348 K CB 2.057 34.627 32.500 0.116 0.000 1.119 348 K HN 0.019 nan 8.250 nan 0.000 0.430 349 P HA 0.215 nan 4.420 nan 0.000 0.274 349 P C 0.922 178.398 177.300 0.293 0.000 1.231 349 P CA -0.324 62.930 63.100 0.257 0.000 0.790 349 P CB 0.679 32.529 31.700 0.249 0.000 0.951 350 I N 0.119 120.865 120.570 0.294 0.000 2.567 350 I HA 0.009 4.160 4.170 -0.032 0.000 0.257 350 I C 0.607 176.834 176.117 0.184 0.000 1.184 350 I CA 1.331 62.760 61.300 0.215 0.000 1.451 350 I CB -0.339 37.553 38.000 -0.181 0.000 1.089 350 I HN 0.539 nan 8.210 nan 0.000 0.441 351 G N 0.227 109.171 108.800 0.239 0.000 2.340 351 G HA2 0.243 4.184 3.960 -0.032 0.000 0.298 351 G HA3 0.243 4.184 3.960 -0.032 0.000 0.298 351 G C -3.128 171.942 174.900 0.283 0.000 1.498 351 G CA -0.816 44.420 45.100 0.227 0.000 0.847 351 G HN -0.110 nan 8.290 nan 0.000 0.594 352 P HA 0.307 nan 4.420 nan 0.000 0.274 352 P C -0.778 176.548 177.300 0.044 0.000 1.256 352 P CA -0.080 63.095 63.100 0.125 0.000 0.795 352 P CB 0.934 32.688 31.700 0.091 0.000 1.038 353 Q N -0.210 119.540 119.800 -0.083 0.000 2.282 353 Q HA 0.589 4.910 4.340 -0.032 0.000 0.260 353 Q C 0.160 176.040 176.000 -0.200 0.000 0.964 353 Q CA -0.858 54.785 55.803 -0.267 0.000 0.880 353 Q CB 2.023 30.520 28.738 -0.401 0.000 1.286 353 Q HN 0.527 nan 8.270 nan 0.000 0.445 354 A N 1.690 124.358 122.820 -0.254 0.000 2.398 354 A HA 0.009 4.310 4.320 -0.032 0.000 0.264 354 A C 0.927 178.340 177.584 -0.285 0.000 1.564 354 A CA 0.457 52.336 52.037 -0.263 0.000 0.828 354 A CB -0.137 18.656 19.000 -0.344 0.000 1.444 354 A HN 0.923 nan 8.150 nan 0.000 0.565 355 N N -0.604 117.912 118.700 -0.305 0.000 2.106 355 N HA -0.072 4.649 4.740 -0.032 0.000 0.188 355 N C 0.443 175.787 175.510 -0.278 0.000 1.029 355 N CA 1.484 54.385 53.050 -0.249 0.000 0.848 355 N CB -0.241 38.110 38.487 -0.228 0.000 1.007 355 N HN 0.413 nan 8.380 nan 0.000 0.423 356 S N 0.856 116.306 115.700 -0.417 0.000 2.510 356 S HA 0.090 4.541 4.470 -0.032 0.000 0.279 356 S C 0.761 175.018 174.600 -0.571 0.000 1.284 356 S CA -0.621 57.274 58.200 -0.508 0.000 1.059 356 S CB 0.748 63.433 63.200 -0.859 0.000 0.901 356 S HN 0.347 nan 8.310 nan 0.000 0.491 357 N N 2.732 121.252 118.700 -0.301 0.000 2.272 357 N HA -0.101 4.620 4.740 -0.032 0.000 0.185 357 N C 1.459 176.879 175.510 -0.151 0.000 1.014 357 N CA 0.926 53.867 53.050 -0.181 0.000 0.870 357 N CB -0.063 38.430 38.487 0.009 0.000 0.975 357 N HN 0.881 nan 8.380 nan 0.000 0.433 358 W N -0.243 121.046 121.300 -0.018 0.000 3.003 358 W HA 0.320 4.960 4.660 -0.032 0.000 0.257 358 W C 0.006 176.588 176.519 0.105 0.000 1.308 358 W CA -0.476 56.911 57.345 0.070 0.000 1.529 358 W CB -0.493 28.995 29.460 0.047 0.000 1.115 358 W HN -0.120 nan 8.180 nan 0.000 0.659 359 L N 2.644 123.469 121.223 -0.663 0.000 2.302 359 L HA 0.282 4.603 4.340 -0.032 0.000 0.285 359 L C -1.147 175.578 176.870 -0.241 0.000 1.090 359 L CA -0.731 53.814 54.840 -0.492 0.000 0.866 359 L CB 0.030 41.521 42.059 -0.946 0.000 1.244 359 L HN -0.217 nan 8.230 nan 0.000 0.435 360 Y N 4.488 124.822 120.300 0.057 0.000 2.326 360 Y HA 0.302 4.834 4.550 -0.031 0.000 0.337 360 Y C 0.513 176.485 175.900 0.119 0.000 1.023 360 Y CA -0.534 57.612 58.100 0.076 0.000 1.143 360 Y CB 1.060 39.567 38.460 0.078 0.000 1.183 360 Y HN 0.370 nan 8.280 nan 0.000 0.485 361 I N 5.129 125.843 120.570 0.240 0.000 2.471 361 I HA 0.085 4.236 4.170 -0.032 0.000 0.294 361 I C -0.620 175.557 176.117 0.101 0.000 1.123 361 I CA 0.083 61.548 61.300 0.276 0.000 1.336 361 I CB -0.265 37.883 38.000 0.247 0.000 1.430 361 I HN 0.284 nan 8.210 nan 0.000 0.533 362 V N 8.430 128.336 119.914 -0.015 0.000 2.465 362 V HA 0.169 4.270 4.120 -0.032 0.000 0.263 362 V C -1.679 173.924 176.094 -0.819 0.000 0.981 362 V CA -1.025 61.011 62.300 -0.439 0.000 0.838 362 V CB 1.039 32.509 31.823 -0.589 0.000 1.068 362 V HN 0.486 nan 8.190 nan 0.000 0.458 363 P HA -0.174 nan 4.420 nan 0.000 0.216 363 P C 1.676 178.539 177.300 -0.728 0.000 1.157 363 P CA 1.855 64.235 63.100 -1.200 0.000 0.880 363 P CB 0.024 31.353 31.700 -0.619 0.000 0.791 364 W N -0.973 120.119 121.300 -0.347 0.000 2.611 364 W HA 0.131 4.773 4.660 -0.031 0.000 0.251 364 W C 1.526 177.923 176.519 -0.203 0.000 1.265 364 W CA 0.639 57.853 57.345 -0.219 0.000 1.295 364 W CB -2.107 27.262 29.460 -0.151 0.000 1.129 364 W HN -0.089 nan 8.180 nan 0.000 0.630 365 G N 1.859 110.324 108.800 -0.558 0.000 2.443 365 G HA2 -0.276 3.665 3.960 -0.032 0.000 0.219 365 G HA3 -0.276 3.665 3.960 -0.032 0.000 0.219 365 G C 1.411 176.120 174.900 -0.317 0.000 1.131 365 G CA 1.202 46.039 45.100 -0.438 0.000 0.775 365 G HN 0.220 nan 8.290 nan 0.000 0.547 366 M N -0.205 119.251 119.600 -0.239 0.000 2.117 366 M HA -0.033 4.428 4.480 -0.032 0.000 0.262 366 M C 2.209 178.466 176.300 -0.071 0.000 1.065 366 M CA 1.430 56.686 55.300 -0.075 0.000 1.114 366 M CB -0.618 31.981 32.600 -0.002 0.000 1.361 366 M HN 0.310 nan 8.290 nan 0.000 0.408 367 Y N 0.140 120.333 120.300 -0.178 0.000 2.200 367 Y HA 0.055 4.586 4.550 -0.032 0.000 0.290 367 Y C 2.091 177.818 175.900 -0.287 0.000 1.137 367 Y CA 1.895 59.909 58.100 -0.144 0.000 1.163 367 Y CB -0.938 37.473 38.460 -0.082 0.000 0.988 367 Y HN 0.286 nan 8.280 nan 0.000 0.518 368 G N -0.250 108.286 108.800 -0.441 0.000 2.513 368 G HA2 -0.352 3.589 3.960 -0.032 0.000 0.219 368 G HA3 -0.352 3.589 3.960 -0.032 0.000 0.219 368 G C 1.699 175.868 174.900 -1.218 0.000 1.160 368 G CA 1.397 45.731 45.100 -1.277 0.000 0.767 368 G HN 0.549 nan 8.290 nan 0.000 0.571 369 C N -0.413 118.436 119.300 -0.751 0.000 2.462 369 C HA 0.038 4.479 4.460 -0.032 0.000 0.278 369 C C 3.129 178.211 174.990 0.153 0.000 1.253 369 C CA 0.771 59.678 59.018 -0.185 0.000 1.713 369 C CB -0.898 26.661 27.740 -0.302 0.000 2.049 369 C HN 0.301 nan 8.230 nan 0.000 0.477 370 V N 1.692 121.597 119.914 -0.014 0.000 2.295 370 V HA -0.217 3.884 4.120 -0.032 0.000 0.246 370 V C 2.256 178.335 176.094 -0.026 0.000 1.049 370 V CA 2.496 64.819 62.300 0.039 0.000 1.024 370 V CB -0.972 30.853 31.823 0.003 0.000 0.648 370 V HN 0.592 nan 8.190 nan 0.000 0.447 371 N N -0.375 118.171 118.700 -0.257 0.000 2.166 371 N HA -0.243 4.478 4.740 -0.032 0.000 0.186 371 N C 1.821 177.323 175.510 -0.013 0.000 1.019 371 N CA 1.845 54.734 53.050 -0.268 0.000 0.856 371 N CB -0.393 37.705 38.487 -0.650 0.000 0.993 371 N HN 0.608 nan 8.380 nan 0.000 0.426 372 Y N 0.539 120.826 120.300 -0.020 0.000 2.163 372 Y HA 0.019 4.550 4.550 -0.032 0.000 0.288 372 Y C 1.983 178.039 175.900 0.259 0.000 1.136 372 Y CA 1.464 59.684 58.100 0.200 0.000 1.147 372 Y CB -0.305 38.432 38.460 0.461 0.000 0.987 372 Y HN 0.099 nan 8.280 nan 0.000 0.509 373 I N 0.702 121.471 120.570 0.332 0.000 2.361 373 I HA -0.302 3.849 4.170 -0.032 0.000 0.251 373 I C 2.548 178.753 176.117 0.147 0.000 1.133 373 I CA 1.743 63.208 61.300 0.275 0.000 1.413 373 I CB -0.378 37.803 38.000 0.302 0.000 1.073 373 I HN 0.253 nan 8.210 nan 0.000 0.424 374 K N 0.535 120.987 120.400 0.088 0.000 2.025 374 K HA -0.213 4.088 4.320 -0.032 0.000 0.207 374 K C 2.175 178.779 176.600 0.006 0.000 1.049 374 K CA 1.280 57.597 56.287 0.050 0.000 0.933 374 K CB 0.008 32.524 32.500 0.027 0.000 0.714 374 K HN 0.191 nan 8.250 nan 0.000 0.438 375 Q N 0.692 120.470 119.800 -0.036 0.000 2.046 375 Q HA -0.127 4.194 4.340 -0.032 0.000 0.200 375 Q C 1.973 177.882 176.000 -0.153 0.000 0.975 375 Q CA 1.436 57.199 55.803 -0.067 0.000 0.836 375 Q CB -0.103 28.609 28.738 -0.043 0.000 0.896 375 Q HN 0.354 nan 8.270 nan 0.000 0.428 376 K N -0.655 119.558 120.400 -0.312 0.000 2.262 376 K HA -0.036 4.265 4.320 -0.032 0.000 0.200 376 K C 0.413 176.663 176.600 -0.583 0.000 1.049 376 K CA 0.459 56.428 56.287 -0.529 0.000 0.979 376 K CB 0.390 32.321 32.500 -0.947 0.000 0.773 376 K HN 0.112 nan 8.250 nan 0.000 0.474 377 Y N -0.317 119.907 120.300 -0.126 0.000 2.696 377 Y HA 0.255 4.786 4.550 -0.031 0.000 0.260 377 Y C 0.733 176.612 175.900 -0.035 0.000 1.165 377 Y CA 0.010 58.069 58.100 -0.070 0.000 1.189 377 Y CB 1.227 39.653 38.460 -0.058 0.000 1.180 377 Y HN 0.205 nan 8.280 nan 0.000 0.538 378 G N 1.337 110.167 108.800 0.050 0.000 2.198 378 G HA2 -0.396 3.545 3.960 -0.032 0.000 0.260 378 G HA3 -0.396 3.545 3.960 -0.032 0.000 0.260 378 G C 0.317 175.256 174.900 0.065 0.000 1.025 378 G CA 0.397 45.524 45.100 0.046 0.000 0.769 378 G HN 0.522 nan 8.290 nan 0.000 0.507 379 N N -1.279 117.468 118.700 0.079 0.000 2.708 379 N HA -0.118 4.603 4.740 -0.032 0.000 0.255 379 N C -1.250 174.313 175.510 0.088 0.000 1.046 379 N CA 1.208 54.306 53.050 0.080 0.000 0.715 379 N CB -0.411 38.113 38.487 0.061 0.000 0.895 379 N HN 0.615 nan 8.380 nan 0.000 0.545 380 P HA 0.117 nan 4.420 nan 0.000 0.274 380 P C -0.331 177.034 177.300 0.109 0.000 1.256 380 P CA -0.068 63.086 63.100 0.090 0.000 0.795 380 P CB 0.358 32.103 31.700 0.074 0.000 1.038 381 T N 0.553 115.180 114.554 0.123 0.000 2.817 381 T HA 0.222 4.553 4.350 -0.032 0.000 0.295 381 T C 0.295 175.101 174.700 0.176 0.000 0.958 381 T CA 0.013 62.205 62.100 0.153 0.000 1.157 381 T CB -0.182 68.797 68.868 0.185 0.000 0.898 381 T HN 0.103 nan 8.240 nan 0.000 0.536 382 V N 4.374 124.383 119.914 0.158 0.000 2.628 382 V HA 0.542 4.643 4.120 -0.032 0.000 0.306 382 V C -0.184 175.990 176.094 0.133 0.000 1.045 382 V CA -0.741 61.654 62.300 0.158 0.000 0.905 382 V CB 2.230 34.148 31.823 0.158 0.000 0.997 382 V HN 0.664 nan 8.190 nan 0.000 0.436 383 V N 5.063 125.050 119.914 0.121 0.000 2.531 383 V HA 0.429 4.530 4.120 -0.032 0.000 0.301 383 V C -0.271 175.877 176.094 0.091 0.000 1.034 383 V CA -0.650 61.697 62.300 0.077 0.000 0.865 383 V CB 1.915 33.758 31.823 0.034 0.000 0.995 383 V HN 0.608 nan 8.190 nan 0.000 0.424 384 I N 5.095 125.749 120.570 0.140 0.000 2.471 384 I HA 0.082 4.233 4.170 -0.032 0.000 0.294 384 I C 1.626 177.759 176.117 0.026 0.000 1.123 384 I CA 0.530 61.903 61.300 0.123 0.000 1.336 384 I CB 0.382 38.550 38.000 0.279 0.000 1.430 384 I HN 0.827 nan 8.210 nan 0.000 0.533 385 T N 2.099 116.597 114.554 -0.093 0.000 3.065 385 T HA 0.246 4.577 4.350 -0.032 0.000 0.252 385 T C 0.562 175.147 174.700 -0.192 0.000 1.099 385 T CA 0.067 62.012 62.100 -0.258 0.000 1.063 385 T CB 0.424 68.999 68.868 -0.488 0.000 0.948 385 T HN 0.575 nan 8.240 nan 0.000 0.506 386 E N 0.706 120.811 120.200 -0.157 0.000 2.388 386 E HA 0.401 4.732 4.350 -0.032 0.000 0.289 386 E C -1.633 174.798 176.600 -0.280 0.000 0.944 386 E CA -0.648 55.673 56.400 -0.132 0.000 0.792 386 E CB 1.748 31.361 29.700 -0.145 0.000 1.239 386 E HN 0.241 nan 8.360 nan 0.000 0.412 387 N N 2.045 120.662 118.700 -0.139 0.000 2.554 387 N HA 0.533 5.254 4.740 -0.032 0.000 0.271 387 N C -1.223 174.487 175.510 0.332 0.000 1.081 387 N CA -0.124 52.882 53.050 -0.073 0.000 0.994 387 N CB 1.969 40.568 38.487 0.186 0.000 1.641 387 N HN 0.662 nan 8.380 nan 0.000 0.511 388 G N 1.298 110.237 108.800 0.230 0.000 2.315 388 G HA2 0.452 4.393 3.960 -0.032 0.000 0.294 388 G HA3 0.452 4.393 3.960 -0.032 0.000 0.294 388 G C -1.689 173.065 174.900 -0.244 0.000 1.300 388 G CA -0.581 44.526 45.100 0.011 0.000 0.843 388 G HN 0.673 nan 8.290 nan 0.000 0.527 389 M N -0.734 118.625 119.600 -0.402 0.000 2.618 389 M HA 0.770 5.231 4.480 -0.032 0.000 0.281 389 M C -1.888 174.037 176.300 -0.624 0.000 1.267 389 M CA -1.006 53.995 55.300 -0.499 0.000 0.845 389 M CB 2.549 34.569 32.600 -0.967 0.000 1.732 389 M HN 0.543 nan 8.290 nan 0.000 0.461 390 D N 0.405 120.220 120.400 -0.974 0.000 2.252 390 D HA 0.454 5.075 4.640 -0.032 0.000 0.245 390 D C -1.166 174.873 176.300 -0.434 0.000 1.009 390 D CA -0.437 52.985 54.000 -0.964 0.000 0.870 390 D CB 1.320 41.266 40.800 -1.422 0.000 1.251 390 D HN 0.815 nan 8.370 nan 0.000 0.460 391 Q N 0.390 120.064 119.800 -0.211 0.000 2.212 391 Q HA 0.442 4.763 4.340 -0.032 0.000 0.238 391 Q C -2.077 173.913 176.000 -0.016 0.000 0.955 391 Q CA -1.686 54.079 55.803 -0.063 0.000 0.906 391 Q CB 1.371 30.169 28.738 0.100 0.000 1.215 391 Q HN 0.384 nan 8.270 nan 0.000 0.478 392 P HA 0.136 nan 4.420 nan 0.000 0.277 392 P C -1.257 176.128 177.300 0.141 0.000 1.271 392 P CA -0.257 62.854 63.100 0.020 0.000 0.795 392 P CB 0.580 32.264 31.700 -0.026 0.000 1.101 393 A N 0.827 123.729 122.820 0.136 0.000 2.296 393 A HA 0.345 4.646 4.320 -0.032 0.000 0.264 393 A C 0.729 178.422 177.584 0.181 0.000 1.097 393 A CA -0.056 52.110 52.037 0.216 0.000 0.811 393 A CB -0.840 18.251 19.000 0.153 0.000 1.072 393 A HN 0.705 nan 8.150 nan 0.000 0.495 394 N N -2.280 116.563 118.700 0.238 0.000 2.965 394 N HA -0.134 4.587 4.740 -0.032 0.000 0.232 394 N C -0.190 175.366 175.510 0.076 0.000 0.913 394 N CA 1.298 54.437 53.050 0.148 0.000 0.981 394 N CB -1.824 36.712 38.487 0.081 0.000 1.077 394 N HN 0.595 nan 8.380 nan 0.000 0.589 395 L N 1.263 122.471 121.223 -0.023 0.000 2.472 395 L HA 0.239 4.560 4.340 -0.032 0.000 0.260 395 L C 1.478 178.300 176.870 -0.079 0.000 1.209 395 L CA -0.164 54.511 54.840 -0.274 0.000 0.817 395 L CB 0.379 41.918 42.059 -0.865 0.000 1.106 395 L HN 0.255 nan 8.230 nan 0.000 0.479 396 S N 0.664 116.296 115.700 -0.113 0.000 2.614 396 S HA 0.155 4.606 4.470 -0.032 0.000 0.265 396 S C 1.024 175.624 174.600 -0.000 0.000 1.303 396 S CA -0.591 57.601 58.200 -0.013 0.000 1.000 396 S CB 1.315 64.489 63.200 -0.044 0.000 0.935 396 S HN 0.716 nan 8.310 nan 0.000 0.551 397 R N 0.557 121.054 120.500 -0.004 0.000 2.096 397 R HA -0.203 4.118 4.340 -0.032 0.000 0.240 397 R C 1.352 177.518 176.300 -0.222 0.000 1.139 397 R CA 2.160 58.133 56.100 -0.212 0.000 0.952 397 R CB -0.746 29.418 30.300 -0.226 0.000 0.854 397 R HN 0.849 nan 8.270 nan 0.000 0.436 398 D N 0.278 120.594 120.400 -0.140 0.000 2.144 398 D HA -0.149 4.472 4.640 -0.032 0.000 0.199 398 D C 1.927 178.167 176.300 -0.099 0.000 0.984 398 D CA 1.202 55.135 54.000 -0.111 0.000 0.834 398 D CB 0.018 40.771 40.800 -0.079 0.000 0.955 398 D HN 0.450 nan 8.370 nan 0.000 0.465 399 Q N -0.920 118.795 119.800 -0.141 0.000 2.167 399 Q HA -0.159 4.162 4.340 -0.032 0.000 0.202 399 Q C 2.038 177.924 176.000 -0.190 0.000 0.970 399 Q CA 0.966 56.661 55.803 -0.181 0.000 0.855 399 Q CB -0.147 28.436 28.738 -0.258 0.000 0.911 399 Q HN 0.490 nan 8.270 nan 0.000 0.438 400 Y N 0.631 120.849 120.300 -0.137 0.000 2.200 400 Y HA -0.167 4.365 4.550 -0.030 0.000 0.290 400 Y C 2.046 177.908 175.900 -0.064 0.000 1.137 400 Y CA 0.759 58.788 58.100 -0.117 0.000 1.163 400 Y CB -0.001 38.303 38.460 -0.260 0.000 0.988 400 Y HN 0.053 nan 8.280 nan 0.000 0.518 401 L N -0.559 120.693 121.223 0.049 0.000 2.275 401 L HA -0.147 4.174 4.340 -0.032 0.000 0.215 401 L C 1.202 178.148 176.870 0.127 0.000 1.119 401 L CA 0.950 55.846 54.840 0.092 0.000 0.790 401 L CB -0.288 41.795 42.059 0.040 0.000 0.919 401 L HN 0.005 nan 8.230 nan 0.000 0.443 402 R N 1.124 121.669 120.500 0.075 0.000 3.782 402 R HA 0.014 4.335 4.340 -0.032 0.000 0.291 402 R C -0.123 176.228 176.300 0.085 0.000 1.539 402 R CA -0.190 55.958 56.100 0.080 0.000 1.345 402 R CB -0.338 29.979 30.300 0.028 0.000 1.408 402 R HN 0.193 nan 8.270 nan 0.000 0.654 403 D N -0.875 119.598 120.400 0.122 0.000 2.688 403 D HA -0.068 4.553 4.640 -0.032 0.000 0.228 403 D C 0.875 177.237 176.300 0.103 0.000 1.116 403 D CA 0.012 54.072 54.000 0.101 0.000 1.023 403 D CB 0.835 41.710 40.800 0.124 0.000 1.100 403 D HN 0.010 nan 8.370 nan 0.000 0.487 404 T N 0.254 114.865 114.554 0.095 0.000 2.759 404 T HA -0.218 4.113 4.350 -0.032 0.000 0.269 404 T C 1.609 176.361 174.700 0.088 0.000 1.042 404 T CA 2.051 64.214 62.100 0.105 0.000 1.140 404 T CB -0.233 68.692 68.868 0.094 0.000 0.864 404 T HN 0.343 nan 8.240 nan 0.000 0.455 405 T N 1.265 115.862 114.554 0.072 0.000 2.720 405 T HA -0.075 4.256 4.350 -0.032 0.000 0.268 405 T C 2.027 176.764 174.700 0.060 0.000 1.037 405 T CA 1.487 63.638 62.100 0.084 0.000 1.144 405 T CB -0.295 68.596 68.868 0.039 0.000 0.864 405 T HN 0.409 nan 8.240 nan 0.000 0.444 406 R N 0.572 121.078 120.500 0.009 0.000 2.115 406 R HA -0.048 4.273 4.340 -0.032 0.000 0.230 406 R C 2.290 178.564 176.300 -0.043 0.000 1.111 406 R CA 0.900 56.971 56.100 -0.048 0.000 0.976 406 R CB -0.402 29.897 30.300 -0.001 0.000 0.870 406 R HN 0.236 nan 8.270 nan 0.000 0.445 407 V N 0.402 120.278 119.914 -0.065 0.000 2.295 407 V HA -0.261 3.840 4.120 -0.032 0.000 0.246 407 V C 2.282 178.157 176.094 -0.365 0.000 1.049 407 V CA 2.277 64.372 62.300 -0.341 0.000 1.024 407 V CB -0.776 30.901 31.823 -0.243 0.000 0.648 407 V HN 0.495 nan 8.190 nan 0.000 0.447 408 H N -0.564 118.388 119.070 -0.197 0.000 2.421 408 H HA -0.193 4.344 4.556 -0.032 0.000 0.298 408 H C 1.902 177.187 175.328 -0.071 0.000 1.087 408 H CA 1.806 57.783 56.048 -0.119 0.000 1.330 408 H CB -0.404 29.344 29.762 -0.023 0.000 1.388 408 H HN 0.428 nan 8.280 nan 0.000 0.526 409 F N -0.176 119.606 119.950 -0.280 0.000 2.051 409 F HA -0.252 4.256 4.527 -0.031 0.000 0.296 409 F C 1.750 177.414 175.800 -0.226 0.000 1.122 409 F CA 1.605 59.422 58.000 -0.305 0.000 1.201 409 F CB -0.613 38.131 39.000 -0.427 0.000 0.978 409 F HN 0.117 nan 8.300 nan 0.000 0.472 410 Y N 0.463 120.774 120.300 0.019 0.000 2.224 410 Y HA -0.155 4.376 4.550 -0.032 0.000 0.289 410 Y C 2.700 178.436 175.900 -0.273 0.000 1.146 410 Y CA 1.704 59.734 58.100 -0.118 0.000 1.182 410 Y CB -0.961 37.276 38.460 -0.372 0.000 0.983 410 Y HN 0.068 nan 8.280 nan 0.000 0.524 411 R N -0.253 120.047 120.500 -0.334 0.000 2.081 411 R HA -0.150 4.171 4.340 -0.032 0.000 0.235 411 R C 2.225 178.547 176.300 0.037 0.000 1.131 411 R CA 1.785 57.845 56.100 -0.067 0.000 0.960 411 R CB -0.256 30.015 30.300 -0.047 0.000 0.856 411 R HN 0.211 nan 8.270 nan 0.000 0.436 412 S N -0.198 115.474 115.700 -0.047 0.000 2.338 412 S HA -0.123 4.328 4.470 -0.032 0.000 0.218 412 S C 1.701 176.245 174.600 -0.093 0.000 1.032 412 S CA 1.233 59.379 58.200 -0.091 0.000 0.999 412 S CB -0.512 62.535 63.200 -0.255 0.000 0.905 412 S HN 0.354 nan 8.310 nan 0.000 0.439 413 Y N 1.820 121.965 120.300 -0.259 0.000 2.128 413 Y HA -0.100 4.431 4.550 -0.031 0.000 0.284 413 Y C 2.179 178.075 175.900 -0.007 0.000 1.154 413 Y CA 0.991 58.984 58.100 -0.178 0.000 1.149 413 Y CB -0.584 37.717 38.460 -0.266 0.000 0.976 413 Y HN 0.150 nan 8.280 nan 0.000 0.505 414 L N -1.264 120.077 121.223 0.198 0.000 2.083 414 L HA -0.236 4.085 4.340 -0.032 0.000 0.209 414 L C 2.310 179.290 176.870 0.183 0.000 1.083 414 L CA 1.607 56.563 54.840 0.194 0.000 0.752 414 L CB -0.764 41.449 42.059 0.257 0.000 0.899 414 L HN 0.195 nan 8.230 nan 0.000 0.433 415 T N -1.193 113.425 114.554 0.107 0.000 2.746 415 T HA -0.194 4.137 4.350 -0.032 0.000 0.267 415 T C 1.904 176.611 174.700 0.012 0.000 1.039 415 T CA 1.061 63.183 62.100 0.036 0.000 1.142 415 T CB -0.087 68.792 68.868 0.018 0.000 0.866 415 T HN 0.292 nan 8.240 nan 0.000 0.444 416 Q N 0.341 120.149 119.800 0.014 0.000 2.167 416 Q HA 0.043 4.364 4.340 -0.032 0.000 0.202 416 Q C 2.344 178.419 176.000 0.124 0.000 0.970 416 Q CA 0.786 56.611 55.803 0.037 0.000 0.855 416 Q CB -0.567 28.152 28.738 -0.030 0.000 0.911 416 Q HN 0.389 nan 8.270 nan 0.000 0.438 417 L N 1.191 122.493 121.223 0.132 0.000 2.109 417 L HA -0.106 4.215 4.340 -0.032 0.000 0.207 417 L C 2.285 179.222 176.870 0.113 0.000 1.086 417 L CA 1.713 56.658 54.840 0.176 0.000 0.760 417 L CB -0.345 41.863 42.059 0.248 0.000 0.910 417 L HN 0.036 nan 8.230 nan 0.000 0.437 418 K N -0.422 119.976 120.400 -0.003 0.000 2.097 418 K HA -0.234 4.067 4.320 -0.032 0.000 0.205 418 K C 2.291 178.832 176.600 -0.099 0.000 1.050 418 K CA 1.451 57.594 56.287 -0.239 0.000 0.938 418 K CB -0.114 32.118 32.500 -0.447 0.000 0.718 418 K HN 0.272 nan 8.250 nan 0.000 0.442 419 K N 0.167 120.565 120.400 -0.003 0.000 2.026 419 K HA -0.140 4.161 4.320 -0.032 0.000 0.208 419 K C 1.978 178.692 176.600 0.191 0.000 1.048 419 K CA 1.334 57.657 56.287 0.059 0.000 0.929 419 K CB -0.202 32.313 32.500 0.025 0.000 0.713 419 K HN 0.228 nan 8.250 nan 0.000 0.439 420 A N 1.371 124.352 122.820 0.269 0.000 1.902 420 A HA -0.122 4.179 4.320 -0.032 0.000 0.217 420 A C 2.086 179.715 177.584 0.075 0.000 1.181 420 A CA 1.389 53.512 52.037 0.143 0.000 0.623 420 A CB -0.515 18.478 19.000 -0.012 0.000 0.818 420 A HN 0.341 nan 8.150 nan 0.000 0.443 421 I N -0.117 120.492 120.570 0.065 0.000 2.202 421 I HA -0.216 3.935 4.170 -0.032 0.000 0.242 421 I C 1.597 177.728 176.117 0.023 0.000 1.091 421 I CA 1.430 62.760 61.300 0.050 0.000 1.368 421 I CB -0.605 37.413 38.000 0.029 0.000 1.058 421 I HN 0.231 nan 8.210 nan 0.000 0.410 422 D N 0.944 121.339 120.400 -0.009 0.000 2.315 422 D HA -0.184 4.437 4.640 -0.032 0.000 0.211 422 D C 1.508 177.822 176.300 0.024 0.000 0.977 422 D CA 1.164 55.157 54.000 -0.012 0.000 0.894 422 D CB -0.187 40.591 40.800 -0.036 0.000 0.910 422 D HN 0.493 nan 8.370 nan 0.000 0.490 423 E N -0.883 119.348 120.200 0.052 0.000 2.444 423 E HA 0.281 4.612 4.350 -0.032 0.000 0.191 423 E C 0.877 177.506 176.600 0.050 0.000 1.041 423 E CA 0.055 56.493 56.400 0.062 0.000 0.883 423 E CB 0.620 30.384 29.700 0.108 0.000 1.024 423 E HN 0.213 nan 8.360 nan 0.000 0.470 424 G N 1.146 109.974 108.800 0.047 0.000 2.134 424 G HA2 -0.243 3.698 3.960 -0.032 0.000 0.209 424 G HA3 -0.243 3.698 3.960 -0.032 0.000 0.209 424 G C 0.231 175.166 174.900 0.057 0.000 0.993 424 G CA -0.106 45.024 45.100 0.050 0.000 0.669 424 G HN 0.393 nan 8.290 nan 0.000 0.519 425 A N -0.068 122.788 122.820 0.061 0.000 2.401 425 A HA 0.628 4.929 4.320 -0.032 0.000 0.259 425 A C 0.578 178.228 177.584 0.110 0.000 1.103 425 A CA -0.277 51.804 52.037 0.073 0.000 0.789 425 A CB 0.284 19.319 19.000 0.059 0.000 1.035 425 A HN 0.268 nan 8.150 nan 0.000 0.491 426 N N 1.802 120.571 118.700 0.114 0.000 3.178 426 N HA 0.230 4.951 4.740 -0.032 0.000 0.300 426 N C -0.823 174.785 175.510 0.162 0.000 1.242 426 N CA 0.159 53.289 53.050 0.134 0.000 1.192 426 N CB 0.379 38.936 38.487 0.116 0.000 1.463 426 N HN 0.324 nan 8.380 nan 0.000 0.539 427 V N 1.124 121.168 119.914 0.216 0.000 2.364 427 V HA 0.310 4.411 4.120 -0.032 0.000 0.272 427 V C 1.209 177.459 176.094 0.259 0.000 1.036 427 V CA -0.470 61.987 62.300 0.261 0.000 0.880 427 V CB 1.055 33.095 31.823 0.363 0.000 0.991 427 V HN 0.432 nan 8.190 nan 0.000 0.460 428 A N 3.905 126.746 122.820 0.036 0.000 2.178 428 A HA 0.657 4.958 4.320 -0.032 0.000 0.211 428 A C 1.033 178.184 177.584 -0.723 0.000 1.157 428 A CA 0.821 52.766 52.037 -0.154 0.000 0.780 428 A CB 0.058 19.025 19.000 -0.055 0.000 0.828 428 A HN 1.126 nan 8.150 nan 0.000 0.476 429 G N -2.475 105.806 108.800 -0.865 0.000 2.523 429 G HA2 0.444 4.385 3.960 -0.032 0.000 0.291 429 G HA3 0.444 4.385 3.960 -0.032 0.000 0.291 429 G C -1.908 172.689 174.900 -0.506 0.000 1.450 429 G CA -0.426 43.954 45.100 -1.201 0.000 0.790 429 G HN 0.454 nan 8.290 nan 0.000 0.496 430 Y N -0.054 119.840 120.300 -0.676 0.000 2.433 430 Y HA 0.751 5.283 4.550 -0.031 0.000 0.337 430 Y C -1.880 173.816 175.900 -0.340 0.000 1.026 430 Y CA -1.359 56.621 58.100 -0.201 0.000 1.037 430 Y CB 1.784 40.254 38.460 0.017 0.000 1.245 430 Y HN 0.451 nan 8.280 nan 0.000 0.443 431 F N 4.648 124.235 119.950 -0.605 0.000 2.518 431 F HA 0.740 5.248 4.527 -0.032 0.000 0.323 431 F C 0.026 175.497 175.800 -0.548 0.000 1.129 431 F CA -0.841 56.880 58.000 -0.465 0.000 0.920 431 F CB 1.931 40.723 39.000 -0.347 0.000 1.160 431 F HN 0.665 nan 8.300 nan 0.000 0.440 432 A N 4.156 126.838 122.820 -0.231 0.000 2.320 432 A HA 0.287 4.588 4.320 -0.032 0.000 0.287 432 A C -1.074 176.572 177.584 0.103 0.000 1.181 432 A CA -0.458 51.557 52.037 -0.037 0.000 0.831 432 A CB 0.349 19.262 19.000 -0.145 0.000 1.102 432 A HN 0.854 nan 8.150 nan 0.000 0.513 433 W N 3.809 125.158 121.300 0.082 0.000 2.316 433 W HA 0.535 5.177 4.660 -0.030 0.000 0.308 433 W C -0.432 176.239 176.519 0.253 0.000 1.106 433 W CA -0.110 57.295 57.345 0.100 0.000 1.262 433 W CB 1.511 31.006 29.460 0.058 0.000 1.233 433 W HN 0.720 nan 8.180 nan 0.000 0.447 434 S N 4.418 120.027 115.700 -0.151 0.000 2.661 434 S HA 0.319 4.770 4.470 -0.032 0.000 0.285 434 S C 0.250 174.668 174.600 -0.303 0.000 1.138 434 S CA -0.684 57.117 58.200 -0.665 0.000 0.855 434 S CB 1.516 63.776 63.200 -1.567 0.000 1.136 434 S HN 0.535 nan 8.310 nan 0.000 0.484 435 L N 2.298 123.331 121.223 -0.318 0.000 2.046 435 L HA 0.405 4.726 4.340 -0.032 0.000 0.208 435 L C -0.125 176.661 176.870 -0.140 0.000 1.077 435 L CA 1.823 56.543 54.840 -0.200 0.000 0.747 435 L CB -0.336 41.629 42.059 -0.156 0.000 0.896 435 L HN 0.635 nan 8.230 nan 0.000 0.432 436 L N -0.245 120.873 121.223 -0.175 0.000 2.370 436 L HA 0.367 4.688 4.340 -0.032 0.000 0.266 436 L C -0.721 176.099 176.870 -0.083 0.000 1.002 436 L CA -1.218 53.548 54.840 -0.122 0.000 0.818 436 L CB 1.468 43.455 42.059 -0.121 0.000 1.325 436 L HN -0.136 nan 8.230 nan 0.000 0.418 437 D N 2.159 122.543 120.400 -0.027 0.000 2.493 437 D HA 0.135 4.756 4.640 -0.032 0.000 0.240 437 D C -0.430 176.034 176.300 0.274 0.000 1.142 437 D CA 0.616 54.686 54.000 0.116 0.000 0.872 437 D CB 0.667 41.523 40.800 0.094 0.000 1.173 437 D HN 0.626 nan 8.370 nan 0.000 0.467 438 N N -0.188 118.705 118.700 0.321 0.000 3.387 438 N HA 0.311 5.032 4.740 -0.032 0.000 0.322 438 N C -1.265 174.313 175.510 0.112 0.000 1.588 438 N CA -0.915 52.322 53.050 0.312 0.000 0.778 438 N CB 0.242 38.772 38.487 0.072 0.000 1.883 438 N HN 0.192 nan 8.380 nan 0.000 0.628 439 F N 0.927 120.714 119.950 -0.271 0.000 2.462 439 F HA 0.295 4.804 4.527 -0.030 0.000 0.360 439 F C 0.517 175.944 175.800 -0.621 0.000 1.134 439 F CA -0.483 57.068 58.000 -0.747 0.000 1.148 439 F CB 0.416 38.976 39.000 -0.733 0.000 1.147 439 F HN 0.632 nan 8.300 nan 0.000 0.550 440 E N 7.307 126.998 120.200 -0.849 0.000 2.325 440 E HA 0.182 4.513 4.350 -0.032 0.000 0.295 440 E C -0.069 176.176 176.600 -0.592 0.000 1.461 440 E CA -0.245 55.834 56.400 -0.534 0.000 1.698 440 E CB -0.532 29.151 29.700 -0.027 0.000 1.496 440 E HN 0.718 nan 8.360 nan 0.000 0.474 441 W N 0.466 121.260 121.300 -0.843 0.000 2.164 441 W HA -0.511 4.132 4.660 -0.030 0.000 0.291 441 W C 1.507 177.872 176.519 -0.255 0.000 1.276 441 W CA 0.892 57.863 57.345 -0.623 0.000 1.209 441 W CB -1.379 27.918 29.460 -0.273 0.000 0.887 441 W HN 0.246 nan 8.180 nan 0.000 0.530 442 L N -0.169 121.311 121.223 0.428 0.000 2.129 442 L HA -0.217 4.104 4.340 -0.032 0.000 0.212 442 L C 2.088 179.043 176.870 0.142 0.000 1.087 442 L CA 1.961 57.012 54.840 0.352 0.000 0.757 442 L CB -0.916 41.336 42.059 0.320 0.000 0.896 442 L HN 0.271 nan 8.230 nan 0.000 0.434 443 S N -0.754 114.973 115.700 0.045 0.000 2.562 443 S HA 0.160 4.611 4.470 -0.032 0.000 0.221 443 S C 1.424 175.939 174.600 -0.141 0.000 0.975 443 S CA 0.420 58.617 58.200 -0.004 0.000 0.918 443 S CB 0.143 63.370 63.200 0.045 0.000 0.772 443 S HN 0.672 nan 8.310 nan 0.000 0.531 444 G N 1.794 110.358 108.800 -0.394 0.000 2.651 444 G HA2 -0.351 3.590 3.960 -0.032 0.000 0.315 444 G HA3 -0.351 3.590 3.960 -0.032 0.000 0.315 444 G C 0.182 174.681 174.900 -0.669 0.000 1.258 444 G CA 0.823 45.554 45.100 -0.614 0.000 1.002 444 G HN 0.539 nan 8.290 nan 0.000 0.551 445 Y N 1.918 122.129 120.300 -0.148 0.000 2.532 445 Y HA 0.372 4.904 4.550 -0.030 0.000 0.283 445 Y C 2.548 178.383 175.900 -0.108 0.000 1.181 445 Y CA 0.939 58.879 58.100 -0.267 0.000 1.256 445 Y CB 0.294 38.425 38.460 -0.548 0.000 1.112 445 Y HN 0.614 nan 8.280 nan 0.000 0.521 446 T N -3.987 110.584 114.554 0.028 0.000 3.122 446 T HA 0.128 4.459 4.350 -0.032 0.000 0.250 446 T C 0.486 175.222 174.700 0.059 0.000 1.067 446 T CA 0.003 62.144 62.100 0.068 0.000 0.966 446 T CB 0.092 68.992 68.868 0.054 0.000 1.002 446 T HN 0.096 nan 8.240 nan 0.000 0.542 447 S N 0.655 116.382 115.700 0.045 0.000 2.647 447 S HA 0.643 5.094 4.470 -0.032 0.000 0.300 447 S C -1.520 173.121 174.600 0.069 0.000 1.129 447 S CA -0.790 57.424 58.200 0.024 0.000 1.029 447 S CB 0.914 64.142 63.200 0.046 0.000 1.007 447 S HN 0.153 nan 8.310 nan 0.000 0.484 448 K N 3.964 124.376 120.400 0.019 0.000 2.334 448 K HA 0.474 4.775 4.320 -0.032 0.000 0.265 448 K C -0.572 176.016 176.600 -0.021 0.000 1.039 448 K CA -0.291 56.050 56.287 0.091 0.000 0.920 448 K CB 0.399 32.995 32.500 0.161 0.000 1.160 448 K HN 0.632 nan 8.250 nan 0.000 0.451 449 F N 0.115 120.139 119.950 0.122 0.000 2.749 449 F HA 0.232 4.739 4.527 -0.032 0.000 0.300 449 F C 1.440 177.275 175.800 0.058 0.000 1.103 449 F CA -0.288 57.788 58.000 0.127 0.000 1.342 449 F CB 0.475 39.649 39.000 0.290 0.000 1.098 449 F HN 0.579 nan 8.300 nan 0.000 0.586 450 G N 0.834 109.738 108.800 0.174 0.000 2.527 450 G HA2 0.314 4.255 3.960 -0.032 0.000 0.248 450 G HA3 0.314 4.255 3.960 -0.032 0.000 0.248 450 G C 1.063 176.053 174.900 0.151 0.000 1.231 450 G CA -0.359 44.792 45.100 0.085 0.000 0.838 450 G HN 0.396 nan 8.290 nan 0.000 0.570 451 I N -1.029 119.628 120.570 0.144 0.000 3.427 451 I HA 0.253 4.404 4.170 -0.032 0.000 0.288 451 I C -0.118 176.090 176.117 0.151 0.000 1.249 451 I CA -0.005 61.423 61.300 0.214 0.000 1.421 451 I CB 0.079 38.245 38.000 0.277 0.000 1.086 451 I HN 0.027 nan 8.210 nan 0.000 0.448 452 V N 1.640 121.603 119.914 0.082 0.000 2.435 452 V HA 0.252 4.353 4.120 -0.032 0.000 0.290 452 V C -0.639 175.500 176.094 0.074 0.000 1.030 452 V CA -0.675 61.662 62.300 0.062 0.000 0.881 452 V CB 1.341 33.154 31.823 -0.016 0.000 0.983 452 V HN 0.231 nan 8.190 nan 0.000 0.445 453 Y N 5.202 125.501 120.300 -0.002 0.000 2.319 453 Y HA 0.544 5.075 4.550 -0.030 0.000 0.328 453 Y C -0.281 175.536 175.900 -0.138 0.000 1.133 453 Y CA -0.356 57.713 58.100 -0.051 0.000 1.265 453 Y CB 1.255 39.738 38.460 0.037 0.000 1.218 453 Y HN 0.362 nan 8.280 nan 0.000 0.508 454 V N 6.793 126.079 119.914 -1.045 0.000 2.407 454 V HA 0.154 4.255 4.120 -0.032 0.000 0.291 454 V C -0.641 174.495 176.094 -1.597 0.000 1.018 454 V CA -1.144 60.462 62.300 -1.157 0.000 0.842 454 V CB 1.472 32.679 31.823 -1.027 0.000 0.996 454 V HN 0.766 nan 8.190 nan 0.000 0.426 455 D N 3.960 123.677 120.400 -1.138 0.000 2.352 455 D HA 0.159 4.780 4.640 -0.032 0.000 0.245 455 D C 0.427 176.445 176.300 -0.470 0.000 1.224 455 D CA -0.159 53.471 54.000 -0.616 0.000 0.879 455 D CB 0.850 41.576 40.800 -0.123 0.000 1.057 455 D HN 0.402 nan 8.370 nan 0.000 0.491 456 F N 2.814 122.630 119.950 -0.222 0.000 2.816 456 F HA 0.037 4.544 4.527 -0.032 0.000 0.302 456 F C 1.772 177.469 175.800 -0.171 0.000 1.178 456 F CA -0.022 57.839 58.000 -0.232 0.000 1.421 456 F CB -0.055 38.761 39.000 -0.306 0.000 1.114 456 F HN 0.328 nan 8.300 nan 0.000 0.573 457 N N -0.954 117.753 118.700 0.011 0.000 2.436 457 N HA -0.045 4.676 4.740 -0.032 0.000 0.178 457 N C 2.085 177.582 175.510 -0.022 0.000 1.026 457 N CA 1.785 54.839 53.050 0.006 0.000 0.880 457 N CB -0.482 38.022 38.487 0.029 0.000 1.061 457 N HN 0.261 nan 8.380 nan 0.000 0.434 458 T N -1.744 112.783 114.554 -0.045 0.000 2.990 458 T HA 0.294 4.625 4.350 -0.032 0.000 0.250 458 T C 0.952 175.592 174.700 -0.100 0.000 1.041 458 T CA -0.069 62.000 62.100 -0.051 0.000 1.010 458 T CB 0.265 69.120 68.868 -0.023 0.000 1.003 458 T HN 0.125 nan 8.240 nan 0.000 0.499 459 L N 0.268 121.388 121.223 -0.171 0.000 4.496 459 L HA -0.168 4.153 4.340 -0.032 0.000 0.419 459 L C -0.115 176.604 176.870 -0.252 0.000 1.139 459 L CA 0.308 55.004 54.840 -0.241 0.000 0.975 459 L CB -1.980 39.992 42.059 -0.146 0.000 2.099 459 L HN 0.485 nan 8.230 nan 0.000 0.818 460 E N 0.149 120.208 120.200 -0.235 0.000 2.383 460 E HA 0.344 4.675 4.350 -0.032 0.000 0.264 460 E C 0.325 176.692 176.600 -0.389 0.000 1.050 460 E CA -0.454 55.784 56.400 -0.270 0.000 0.896 460 E CB 0.604 30.181 29.700 -0.205 0.000 0.982 460 E HN 0.083 nan 8.360 nan 0.000 0.424 461 R N 1.370 121.626 120.500 -0.407 0.000 2.368 461 R HA 0.390 4.711 4.340 -0.032 0.000 0.302 461 R C -1.102 174.915 176.300 -0.472 0.000 1.002 461 R CA -0.328 55.562 56.100 -0.350 0.000 0.929 461 R CB 0.883 31.048 30.300 -0.225 0.000 1.073 461 R HN 0.489 nan 8.270 nan 0.000 0.464 462 H N 2.061 121.173 119.070 0.069 0.000 2.782 462 H HA 0.326 4.864 4.556 -0.030 0.000 0.347 462 H C -2.399 173.007 175.328 0.130 0.000 1.038 462 H CA -2.110 54.022 56.048 0.139 0.000 1.255 462 H CB 1.841 31.742 29.762 0.232 0.000 1.623 462 H HN 0.401 nan 8.280 nan 0.000 0.525 463 P HA 0.084 nan 4.420 nan 0.000 0.271 463 P C -0.426 176.953 177.300 0.130 0.000 1.216 463 P CA -0.320 62.800 63.100 0.033 0.000 0.776 463 P CB 1.058 32.605 31.700 -0.254 0.000 0.881 464 K N 1.377 121.861 120.400 0.140 0.000 2.148 464 K HA 0.508 4.809 4.320 -0.032 0.000 0.239 464 K C 1.472 178.258 176.600 0.309 0.000 1.018 464 K CA -0.639 55.787 56.287 0.231 0.000 0.923 464 K CB 0.439 33.079 32.500 0.233 0.000 1.117 464 K HN 0.271 nan 8.250 nan 0.000 0.477 465 A N 0.839 123.889 122.820 0.384 0.000 1.948 465 A HA -0.222 4.079 4.320 -0.032 0.000 0.220 465 A C 2.142 180.043 177.584 0.528 0.000 1.177 465 A CA 2.470 54.822 52.037 0.526 0.000 0.636 465 A CB -1.034 18.223 19.000 0.427 0.000 0.815 465 A HN 0.783 nan 8.150 nan 0.000 0.449 466 S N 0.078 115.999 115.700 0.368 0.000 2.402 466 S HA 0.052 4.503 4.470 -0.032 0.000 0.229 466 S C 2.071 176.942 174.600 0.452 0.000 1.021 466 S CA 1.282 59.690 58.200 0.347 0.000 0.974 466 S CB -0.710 62.694 63.200 0.339 0.000 0.800 466 S HN 0.946 nan 8.310 nan 0.000 0.484 467 A N 1.087 124.108 122.820 0.334 0.000 1.908 467 A HA -0.029 4.272 4.320 -0.032 0.000 0.218 467 A C 2.018 179.700 177.584 0.164 0.000 1.181 467 A CA 1.519 53.688 52.037 0.219 0.000 0.627 467 A CB -1.223 17.747 19.000 -0.049 0.000 0.818 467 A HN 0.668 nan 8.150 nan 0.000 0.445 468 Y N -2.889 117.625 120.300 0.357 0.000 2.314 468 Y HA -0.178 4.353 4.550 -0.032 0.000 0.293 468 Y C 2.202 178.348 175.900 0.410 0.000 1.129 468 Y CA 1.036 59.340 58.100 0.341 0.000 1.201 468 Y CB -0.344 38.321 38.460 0.342 0.000 0.999 468 Y HN 0.618 nan 8.280 nan 0.000 0.541 469 W N -0.107 121.390 121.300 0.330 0.000 2.358 469 W HA -0.239 4.401 4.660 -0.032 0.000 0.303 469 W C 1.481 177.866 176.519 -0.223 0.000 1.208 469 W CA 1.608 58.864 57.345 -0.148 0.000 1.274 469 W CB -0.584 28.502 29.460 -0.623 0.000 1.138 469 W HN 0.003 nan 8.180 nan 0.000 0.515 470 F N 0.431 120.465 119.950 0.139 0.000 2.113 470 F HA -0.083 4.425 4.527 -0.031 0.000 0.297 470 F C 2.771 178.335 175.800 -0.393 0.000 1.103 470 F CA 2.186 60.068 58.000 -0.196 0.000 1.248 470 F CB -1.188 37.739 39.000 -0.122 0.000 0.999 470 F HN -0.215 nan 8.300 nan 0.000 0.475 471 R N 0.456 120.947 120.500 -0.015 0.000 2.091 471 R HA -0.199 4.122 4.340 -0.032 0.000 0.238 471 R C 1.707 177.936 176.300 -0.118 0.000 1.136 471 R CA 2.211 58.265 56.100 -0.077 0.000 0.959 471 R CB -0.440 29.901 30.300 0.068 0.000 0.856 471 R HN 0.189 nan 8.270 nan 0.000 0.437 472 D N -0.012 120.342 120.400 -0.077 0.000 2.084 472 D HA -0.201 4.420 4.640 -0.032 0.000 0.194 472 D C 1.763 177.881 176.300 -0.304 0.000 0.990 472 D CA 1.190 55.124 54.000 -0.109 0.000 0.826 472 D CB -0.179 40.652 40.800 0.051 0.000 0.971 472 D HN 0.153 nan 8.370 nan 0.000 0.453 473 M N -0.061 119.201 119.600 -0.564 0.000 2.358 473 M HA -0.039 4.422 4.480 -0.032 0.000 0.264 473 M C 0.900 176.876 176.300 -0.540 0.000 1.064 473 M CA 1.141 56.030 55.300 -0.686 0.000 1.093 473 M CB -0.007 31.881 32.600 -1.186 0.000 1.401 473 M HN 0.053 nan 8.290 nan 0.000 0.440 474 L N 0.245 121.162 121.223 -0.511 0.000 2.728 474 L HA 0.137 4.458 4.340 -0.032 0.000 0.238 474 L C 0.686 177.232 176.870 -0.540 0.000 1.143 474 L CA -0.350 54.155 54.840 -0.558 0.000 0.937 474 L CB -0.140 41.535 42.059 -0.641 0.000 1.225 474 L HN 0.150 nan 8.230 nan 0.000 0.507 475 K N 0.139 120.312 120.400 -0.378 0.000 2.485 475 K HA 0.087 4.388 4.320 -0.032 0.000 0.277 475 K C -0.660 175.747 176.600 -0.321 0.000 0.990 475 K CA -0.008 56.100 56.287 -0.299 0.000 0.994 475 K CB 0.604 33.020 32.500 -0.140 0.000 0.906 475 K HN 0.091 nan 8.250 nan 0.000 0.488 476 H N 0.000 119.041 119.070 -0.048 0.000 2.539 476 H HA 0.000 4.537 4.556 -0.032 0.000 0.296 476 H CA 0.000 56.033 56.048 -0.024 0.000 1.023 476 H CB 0.000 29.755 29.762 -0.012 0.000 1.292 476 H HN 0.000 nan 8.280 nan 0.000 0.496