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 2rhg_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTLLNPYFGE FGGMYVPQIL MPALNQLEEA FVSAQKDPEF QAQFADLLKN DATA SEQUENCE YAGRPTALTK CQNITAGTRT TLYLKREDLL HGGAHKTNQV LGQALLAKRM DATA SEQUENCE GKSEIIAETG AGQHGVASAL ASALLGLKCR IYXXXXXXXX XXXNVFRMRL DATA SEQUENCE MGAEVIXXXX XXXXXXXXXX XALRDWSGSY ETAHYMLGTA AGPHPYPTIV DATA SEQUENCE REFQRMIGEE TKAQILDKEG RLPDAVIACV GGGSNAIGMF ADFINDTSVG DATA SEQUENCE LIGVEPGGHG IETGEHGAPL KHGRVGIYFG MKAPMMQTAD GQIEESYSIS DATA SEQUENCE AGLDFPSVGP QHAYLNSIGR ADYVSITDDE ALEAFKTLCR HEGIIPALES DATA SEQUENCE SHALAHALKM MREQPEKEQL LVVNLSGRGD KDIFTVHDIL 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.685 174.700 -0.025 0.000 1.109 2 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 2 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 3 T N 0.178 114.718 114.554 -0.024 0.000 2.883 3 T HA 0.721 5.071 4.350 -0.001 0.000 0.296 3 T C 1.010 175.709 174.700 -0.000 0.000 1.117 3 T CA -1.058 61.041 62.100 -0.001 0.000 1.006 3 T CB 1.249 70.124 68.868 0.011 0.000 1.191 3 T HN 0.296 nan 8.240 nan 0.000 0.508 4 L N -0.233 121.007 121.223 0.029 0.000 2.179 4 L HA 0.332 4.671 4.340 -0.001 0.000 0.208 4 L C 0.441 177.325 176.870 0.024 0.000 1.096 4 L CA 0.681 55.533 54.840 0.020 0.000 0.779 4 L CB -0.261 41.812 42.059 0.024 0.000 0.922 4 L HN 0.405 nan 8.230 nan 0.000 0.443 5 L N -0.593 120.670 121.223 0.067 0.000 2.333 5 L HA 0.326 4.666 4.340 -0.001 0.000 0.269 5 L C -0.105 176.665 176.870 -0.168 0.000 1.010 5 L CA -0.868 53.989 54.840 0.027 0.000 0.818 5 L CB 1.367 43.536 42.059 0.182 0.000 1.306 5 L HN -0.054 nan 8.230 nan 0.000 0.430 6 N N 2.367 120.932 118.700 -0.226 0.000 2.438 6 N HA 0.072 4.811 4.740 -0.001 0.000 0.267 6 N C -1.974 173.163 175.510 -0.623 0.000 1.222 6 N CA -1.159 51.693 53.050 -0.330 0.000 0.930 6 N CB 1.320 39.640 38.487 -0.278 0.000 1.083 6 N HN 0.294 nan 8.380 nan 0.000 0.476 7 P HA 0.058 nan 4.420 nan 0.000 0.241 7 P C -0.719 176.193 177.300 -0.647 0.000 1.191 7 P CA 0.878 63.408 63.100 -0.949 0.000 0.771 7 P CB 0.075 31.362 31.700 -0.688 0.000 0.929 8 Y N -1.499 118.537 120.300 -0.440 0.000 2.528 8 Y HA 0.522 5.072 4.550 -0.001 0.000 0.335 8 Y C -0.001 175.558 175.900 -0.568 0.000 1.093 8 Y CA -0.907 57.008 58.100 -0.307 0.000 1.134 8 Y CB 1.191 39.545 38.460 -0.176 0.000 1.253 8 Y HN -0.315 nan 8.280 nan 0.000 0.478 9 F N 1.642 121.634 119.950 0.071 0.000 2.552 9 F HA 0.514 5.040 4.527 -0.000 0.000 0.369 9 F C 0.774 176.481 175.800 -0.155 0.000 1.112 9 F CA -0.403 57.467 58.000 -0.217 0.000 1.129 9 F CB 0.968 39.980 39.000 0.020 0.000 1.360 9 F HN 0.762 nan 8.300 nan 0.000 0.473 10 G N 2.698 111.322 108.800 -0.293 0.000 2.556 10 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.283 10 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.283 10 G C 1.145 176.030 174.900 -0.025 0.000 1.177 10 G CA 0.497 45.623 45.100 0.043 0.000 0.978 10 G HN 0.603 nan 8.290 nan 0.000 0.554 11 E N 0.717 120.791 120.200 -0.209 0.000 2.478 11 E HA 0.191 4.540 4.350 -0.001 0.000 0.194 11 E C 0.373 176.855 176.600 -0.197 0.000 1.045 11 E CA 0.324 56.503 56.400 -0.368 0.000 0.868 11 E CB 0.066 29.443 29.700 -0.539 0.000 0.885 11 E HN 0.402 nan 8.360 nan 0.000 0.505 12 F N 1.029 121.208 119.950 0.382 0.000 2.397 12 F HA 0.585 5.112 4.527 -0.000 0.000 0.331 12 F C 1.403 177.465 175.800 0.436 0.000 1.090 12 F CA 0.381 58.614 58.000 0.390 0.000 1.065 12 F CB 1.705 40.885 39.000 0.299 0.000 1.184 12 F HN 0.142 nan 8.300 nan 0.000 0.499 13 G N 0.317 109.373 108.800 0.426 0.000 2.348 13 G HA2 0.451 4.411 3.960 -0.001 0.000 0.199 13 G HA3 0.451 4.411 3.960 -0.001 0.000 0.199 13 G C -0.106 174.607 174.900 -0.311 0.000 1.235 13 G CA -0.069 45.078 45.100 0.078 0.000 1.264 13 G HN 1.889 nan 8.290 nan 0.000 0.543 14 G N -1.223 106.980 108.800 -0.996 0.000 2.698 14 G HA2 0.326 4.285 3.960 -0.001 0.000 0.225 14 G HA3 0.326 4.285 3.960 -0.001 0.000 0.225 14 G C -0.107 174.585 174.900 -0.347 0.000 1.345 14 G CA 0.527 45.070 45.100 -0.928 0.000 0.871 14 G HN 1.667 nan 8.290 nan 0.000 0.540 15 M N -0.002 119.366 119.600 -0.387 0.000 2.353 15 M HA 0.321 4.801 4.480 -0.001 0.000 0.218 15 M C -1.161 174.985 176.300 -0.258 0.000 1.044 15 M CA -0.123 55.055 55.300 -0.203 0.000 0.615 15 M CB 1.391 33.905 32.600 -0.143 0.000 1.531 15 M HN 0.414 nan 8.290 nan 0.000 0.378 16 Y N 1.861 122.155 120.300 -0.010 0.000 2.667 16 Y HA 0.392 4.942 4.550 -0.000 0.000 0.340 16 Y C 0.420 176.327 175.900 0.010 0.000 1.303 16 Y CA -0.696 57.414 58.100 0.017 0.000 1.769 16 Y CB -0.066 38.419 38.460 0.043 0.000 1.804 16 Y HN 0.355 nan 8.280 nan 0.000 0.451 17 V N -1.292 118.662 119.914 0.067 0.000 3.074 17 V HA 0.750 4.870 4.120 -0.001 0.000 0.314 17 V C -2.607 173.500 176.094 0.023 0.000 1.117 17 V CA -3.327 59.003 62.300 0.050 0.000 1.014 17 V CB 1.599 33.439 31.823 0.027 0.000 1.057 17 V HN 0.094 nan 8.190 nan 0.000 0.438 18 P HA 0.147 nan 4.420 nan 0.000 0.266 18 P C 0.467 177.750 177.300 -0.028 0.000 1.193 18 P CA 0.158 63.260 63.100 0.004 0.000 0.770 18 P CB 0.545 32.247 31.700 0.003 0.000 0.836 19 Q N 2.548 122.332 119.800 -0.026 0.000 2.173 19 Q HA -0.200 4.140 4.340 -0.001 0.000 0.208 19 Q C 1.633 177.591 176.000 -0.069 0.000 0.989 19 Q CA 1.632 57.409 55.803 -0.044 0.000 0.872 19 Q CB -0.902 27.819 28.738 -0.028 0.000 0.909 19 Q HN 0.574 nan 8.270 nan 0.000 0.420 20 I N -0.620 119.914 120.570 -0.060 0.000 2.530 20 I HA -0.207 3.963 4.170 -0.001 0.000 0.257 20 I C 0.808 176.822 176.117 -0.172 0.000 1.179 20 I CA 0.657 61.913 61.300 -0.074 0.000 1.440 20 I CB 0.143 38.123 38.000 -0.034 0.000 1.087 20 I HN 0.263 nan 8.210 nan 0.000 0.440 21 L N 0.078 121.180 121.223 -0.202 0.000 2.592 21 L HA 0.043 4.383 4.340 -0.001 0.000 0.227 21 L C 2.057 178.708 176.870 -0.365 0.000 1.127 21 L CA 0.528 55.155 54.840 -0.356 0.000 0.884 21 L CB -0.304 41.624 42.059 -0.219 0.000 1.065 21 L HN 0.301 nan 8.230 nan 0.000 0.457 22 M N 0.423 119.880 119.600 -0.238 0.000 2.117 22 M HA -0.097 4.383 4.480 -0.001 0.000 0.262 22 M C -0.095 176.062 176.300 -0.239 0.000 1.065 22 M CA 1.673 56.859 55.300 -0.191 0.000 1.114 22 M CB -2.006 30.521 32.600 -0.122 0.000 1.361 22 M HN 0.026 nan 8.290 nan 0.000 0.408 23 P HA -0.096 nan 4.420 nan 0.000 0.216 23 P C 1.315 178.395 177.300 -0.366 0.000 1.150 23 P CA 1.980 64.929 63.100 -0.252 0.000 0.837 23 P CB -0.166 31.432 31.700 -0.171 0.000 0.786 24 A N -0.727 121.627 122.820 -0.776 0.000 1.902 24 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 24 A C 2.186 179.611 177.584 -0.265 0.000 1.181 24 A CA 1.434 53.002 52.037 -0.781 0.000 0.623 24 A CB -1.601 16.430 19.000 -1.615 0.000 0.818 24 A HN 0.107 nan 8.150 nan 0.000 0.443 25 L N -0.344 120.748 121.223 -0.218 0.000 2.056 25 L HA -0.178 4.162 4.340 -0.001 0.000 0.207 25 L C 2.347 179.163 176.870 -0.091 0.000 1.078 25 L CA 1.187 55.987 54.840 -0.067 0.000 0.749 25 L CB -0.742 41.288 42.059 -0.048 0.000 0.901 25 L HN 0.395 nan 8.230 nan 0.000 0.433 26 N N 0.031 118.674 118.700 -0.095 0.000 2.120 26 N HA -0.250 4.489 4.740 -0.001 0.000 0.188 26 N C 1.858 177.342 175.510 -0.043 0.000 1.024 26 N CA 1.344 54.358 53.050 -0.061 0.000 0.852 26 N CB -0.218 38.235 38.487 -0.057 0.000 1.003 26 N HN 0.460 nan 8.380 nan 0.000 0.424 27 Q N 0.596 120.374 119.800 -0.036 0.000 2.050 27 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 27 Q C 2.128 178.138 176.000 0.016 0.000 0.980 27 Q CA 1.062 56.870 55.803 0.007 0.000 0.840 27 Q CB -0.117 28.650 28.738 0.049 0.000 0.898 27 Q HN 0.194 nan 8.270 nan 0.000 0.424 28 L N 1.403 122.638 121.223 0.020 0.000 2.012 28 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 28 L C 2.276 179.113 176.870 -0.056 0.000 1.073 28 L CA 2.332 57.174 54.840 0.003 0.000 0.748 28 L CB -0.720 41.335 42.059 -0.005 0.000 0.891 28 L HN 0.366 nan 8.230 nan 0.000 0.431 29 E N -0.691 119.448 120.200 -0.101 0.000 2.077 29 E HA -0.304 4.045 4.350 -0.001 0.000 0.193 29 E C 2.114 178.724 176.600 0.017 0.000 0.989 29 E CA 1.506 57.859 56.400 -0.079 0.000 0.800 29 E CB -0.137 29.500 29.700 -0.105 0.000 0.746 29 E HN 0.700 nan 8.360 nan 0.000 0.452 30 E N -0.193 120.003 120.200 -0.007 0.000 2.051 30 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 30 E C 1.945 178.527 176.600 -0.031 0.000 0.991 30 E CA 1.060 57.452 56.400 -0.013 0.000 0.799 30 E CB -0.141 29.551 29.700 -0.014 0.000 0.748 30 E HN 0.334 nan 8.360 nan 0.000 0.449 31 A N 0.547 123.354 122.820 -0.022 0.000 1.902 31 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 31 A C 1.993 179.517 177.584 -0.099 0.000 1.181 31 A CA 1.310 53.315 52.037 -0.053 0.000 0.623 31 A CB -0.856 18.128 19.000 -0.028 0.000 0.818 31 A HN 0.513 nan 8.150 nan 0.000 0.443 32 F N 0.963 120.793 119.950 -0.201 0.000 2.102 32 F HA -0.156 4.371 4.527 -0.001 0.000 0.298 32 F C 2.171 177.839 175.800 -0.221 0.000 1.105 32 F CA 1.955 59.804 58.000 -0.251 0.000 1.239 32 F CB -0.475 38.363 39.000 -0.269 0.000 0.991 32 F HN 0.019 nan 8.300 nan 0.000 0.474 33 V N -0.500 119.253 119.914 -0.268 0.000 2.392 33 V HA -0.299 3.821 4.120 -0.001 0.000 0.249 33 V C 2.687 178.591 176.094 -0.316 0.000 1.059 33 V CA 2.013 64.118 62.300 -0.325 0.000 1.051 33 V CB -1.164 30.592 31.823 -0.112 0.000 0.658 33 V HN 0.534 nan 8.190 nan 0.000 0.455 34 S N -0.134 115.421 115.700 -0.241 0.000 2.355 34 S HA -0.138 4.332 4.470 -0.001 0.000 0.222 34 S C 2.177 176.616 174.600 -0.268 0.000 1.031 34 S CA 1.484 59.566 58.200 -0.198 0.000 0.993 34 S CB -0.347 62.772 63.200 -0.135 0.000 0.859 34 S HN 0.599 nan 8.310 nan 0.000 0.453 35 A N 1.266 123.833 122.820 -0.422 0.000 1.940 35 A HA -0.122 4.198 4.320 -0.001 0.000 0.219 35 A C 2.194 179.479 177.584 -0.497 0.000 1.176 35 A CA 1.568 53.202 52.037 -0.673 0.000 0.631 35 A CB -0.732 17.438 19.000 -1.384 0.000 0.814 35 A HN 0.572 nan 8.150 nan 0.000 0.446 36 Q N -0.154 119.328 119.800 -0.530 0.000 2.226 36 Q HA -0.095 4.244 4.340 -0.001 0.000 0.204 36 Q C 1.474 177.378 176.000 -0.161 0.000 0.975 36 Q CA 1.457 57.046 55.803 -0.357 0.000 0.866 36 Q CB -0.206 28.169 28.738 -0.605 0.000 0.915 36 Q HN 0.733 nan 8.270 nan 0.000 0.440 37 K N 0.416 120.719 120.400 -0.162 0.000 2.367 37 K HA 0.020 4.339 4.320 -0.001 0.000 0.194 37 K C 0.031 176.612 176.600 -0.032 0.000 1.027 37 K CA -0.065 56.174 56.287 -0.080 0.000 1.075 37 K CB 0.450 32.899 32.500 -0.086 0.000 0.845 37 K HN -0.022 nan 8.250 nan 0.000 0.529 38 D N 1.553 121.940 120.400 -0.021 0.000 2.380 38 D HA 0.100 4.740 4.640 -0.001 0.000 0.230 38 D C -2.001 174.362 176.300 0.105 0.000 1.154 38 D CA -2.563 51.460 54.000 0.039 0.000 0.859 38 D CB 1.650 42.478 40.800 0.046 0.000 1.045 38 D HN -0.187 nan 8.370 nan 0.000 0.495 39 P HA -0.139 nan 4.420 nan 0.000 0.216 39 P C 0.785 178.138 177.300 0.089 0.000 1.150 39 P CA 1.146 64.291 63.100 0.076 0.000 0.843 39 P CB 0.323 32.050 31.700 0.044 0.000 0.787 40 E N -1.713 118.539 120.200 0.088 0.000 2.110 40 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 40 E C 1.792 178.451 176.600 0.098 0.000 0.988 40 E CA 0.857 57.302 56.400 0.075 0.000 0.804 40 E CB -0.627 29.113 29.700 0.067 0.000 0.745 40 E HN 0.253 nan 8.360 nan 0.000 0.458 41 F N 1.929 121.888 119.950 0.016 0.000 2.113 41 F HA -0.210 4.317 4.527 -0.000 0.000 0.297 41 F C 2.342 178.186 175.800 0.075 0.000 1.103 41 F CA 1.276 59.290 58.000 0.022 0.000 1.248 41 F CB 0.088 39.092 39.000 0.005 0.000 0.999 41 F HN -0.111 nan 8.300 nan 0.000 0.475 42 Q N 0.734 120.689 119.800 0.257 0.000 2.061 42 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 42 Q C 2.516 178.553 176.000 0.062 0.000 0.984 42 Q CA 1.674 57.600 55.803 0.204 0.000 0.846 42 Q CB -1.349 27.504 28.738 0.193 0.000 0.902 42 Q HN 0.550 nan 8.270 nan 0.000 0.421 43 A N 0.828 123.666 122.820 0.029 0.000 1.933 43 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 43 A C 2.118 179.674 177.584 -0.046 0.000 1.175 43 A CA 1.765 53.797 52.037 -0.008 0.000 0.628 43 A CB -0.560 18.440 19.000 -0.001 0.000 0.814 43 A HN 0.442 nan 8.150 nan 0.000 0.444 44 Q N -1.901 117.848 119.800 -0.085 0.000 2.046 44 Q HA -0.154 4.185 4.340 -0.001 0.000 0.200 44 Q C 1.901 177.833 176.000 -0.113 0.000 0.975 44 Q CA 1.562 57.289 55.803 -0.126 0.000 0.836 44 Q CB -0.260 28.362 28.738 -0.193 0.000 0.896 44 Q HN 0.603 nan 8.270 nan 0.000 0.428 45 F N 0.894 120.601 119.950 -0.406 0.000 2.102 45 F HA -0.112 4.414 4.527 -0.000 0.000 0.298 45 F C 2.044 177.728 175.800 -0.193 0.000 1.105 45 F CA 1.419 59.189 58.000 -0.383 0.000 1.239 45 F CB -0.956 37.752 39.000 -0.486 0.000 0.991 45 F HN 0.143 nan 8.300 nan 0.000 0.474 46 A N -0.360 122.359 122.820 -0.168 0.000 1.933 46 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 46 A C 1.951 179.452 177.584 -0.140 0.000 1.175 46 A CA 1.964 53.871 52.037 -0.216 0.000 0.628 46 A CB -1.199 17.730 19.000 -0.119 0.000 0.814 46 A HN 0.486 nan 8.150 nan 0.000 0.444 47 D N -0.355 119.992 120.400 -0.088 0.000 2.117 47 D HA -0.101 4.539 4.640 -0.001 0.000 0.198 47 D C 1.827 178.103 176.300 -0.040 0.000 0.982 47 D CA 1.169 55.134 54.000 -0.058 0.000 0.828 47 D CB -0.156 40.614 40.800 -0.050 0.000 0.967 47 D HN 0.425 nan 8.370 nan 0.000 0.464 48 L N -0.178 121.022 121.223 -0.038 0.000 2.027 48 L HA -0.098 4.242 4.340 -0.001 0.000 0.206 48 L C 2.616 179.519 176.870 0.055 0.000 1.074 48 L CA 0.602 55.453 54.840 0.018 0.000 0.745 48 L CB -0.430 41.634 42.059 0.008 0.000 0.898 48 L HN 0.168 nan 8.230 nan 0.000 0.433 49 L N -0.102 121.086 121.223 -0.057 0.000 2.043 49 L HA -0.284 4.055 4.340 -0.001 0.000 0.212 49 L C 2.732 179.570 176.870 -0.054 0.000 1.075 49 L CA 1.571 56.356 54.840 -0.092 0.000 0.752 49 L CB -0.501 41.386 42.059 -0.287 0.000 0.891 49 L HN 0.284 nan 8.230 nan 0.000 0.432 50 K N 0.034 120.396 120.400 -0.064 0.000 1.980 50 K HA -0.107 4.213 4.320 -0.001 0.000 0.208 50 K C 1.689 178.273 176.600 -0.026 0.000 1.043 50 K CA 1.418 57.678 56.287 -0.047 0.000 0.938 50 K CB 0.045 32.514 32.500 -0.052 0.000 0.724 50 K HN 0.279 nan 8.250 nan 0.000 0.438 51 N N -0.546 118.150 118.700 -0.006 0.000 2.467 51 N HA -0.086 4.654 4.740 -0.001 0.000 0.184 51 N C 0.994 176.525 175.510 0.035 0.000 1.106 51 N CA 0.629 53.681 53.050 0.004 0.000 0.892 51 N CB 0.300 38.790 38.487 0.005 0.000 0.969 51 N HN 0.313 nan 8.380 nan 0.000 0.454 52 Y N 0.552 120.793 120.300 -0.097 0.000 2.678 52 Y HA 0.407 4.956 4.550 -0.000 0.000 0.274 52 Y C 2.145 177.950 175.900 -0.158 0.000 1.114 52 Y CA 0.515 58.529 58.100 -0.143 0.000 1.274 52 Y CB -0.362 38.024 38.460 -0.124 0.000 1.438 52 Y HN -0.067 nan 8.280 nan 0.000 0.493 53 A N -0.137 122.639 122.820 -0.073 0.000 1.968 53 A HA 0.285 4.605 4.320 -0.001 0.000 0.217 53 A C 1.854 179.401 177.584 -0.063 0.000 1.169 53 A CA 1.504 53.500 52.037 -0.068 0.000 0.638 53 A CB -1.214 17.823 19.000 0.061 0.000 0.812 53 A HN 1.145 nan 8.150 nan 0.000 0.446 54 G N -1.477 107.286 108.800 -0.062 0.000 2.148 54 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.203 54 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.203 54 G C 0.187 175.071 174.900 -0.026 0.000 0.993 54 G CA 0.004 45.077 45.100 -0.046 0.000 0.661 54 G HN 0.564 nan 8.290 nan 0.000 0.518 55 R N 0.398 120.880 120.500 -0.029 0.000 2.641 55 R HA 0.422 4.762 4.340 -0.001 0.000 0.269 55 R C -2.360 173.923 176.300 -0.030 0.000 1.074 55 R CA -1.239 54.844 56.100 -0.028 0.000 1.133 55 R CB 0.233 30.504 30.300 -0.048 0.000 1.029 55 R HN 0.128 nan 8.270 nan 0.000 0.488 56 P HA 0.057 nan 4.420 nan 0.000 0.276 56 P C -0.440 176.861 177.300 0.002 0.000 1.244 56 P CA -0.299 62.794 63.100 -0.011 0.000 0.801 56 P CB 0.708 32.404 31.700 -0.008 0.000 1.006 57 T N -1.374 113.188 114.554 0.013 0.000 2.922 57 T HA 0.671 5.021 4.350 -0.001 0.000 0.285 57 T C 0.233 174.951 174.700 0.030 0.000 1.005 57 T CA -0.852 61.261 62.100 0.023 0.000 1.061 57 T CB 0.778 69.667 68.868 0.035 0.000 1.007 57 T HN 0.413 nan 8.240 nan 0.000 0.502 58 A N 1.535 124.375 122.820 0.033 0.000 2.346 58 A HA 0.583 4.903 4.320 -0.001 0.000 0.252 58 A C -0.220 177.402 177.584 0.063 0.000 1.089 58 A CA -0.693 51.369 52.037 0.042 0.000 0.797 58 A CB -0.051 18.971 19.000 0.038 0.000 1.047 58 A HN 0.928 nan 8.150 nan 0.000 0.494 59 L N 1.277 122.550 121.223 0.084 0.000 2.353 59 L HA 0.461 4.801 4.340 -0.001 0.000 0.270 59 L C -0.262 176.731 176.870 0.205 0.000 1.003 59 L CA 0.261 55.181 54.840 0.134 0.000 0.862 59 L CB 1.339 43.453 42.059 0.093 0.000 1.221 59 L HN 0.624 nan 8.230 nan 0.000 0.430 60 T N 3.914 118.569 114.554 0.169 0.000 2.799 60 T HA 0.306 4.656 4.350 -0.001 0.000 0.286 60 T C -0.229 174.484 174.700 0.022 0.000 0.973 60 T CA -0.427 61.735 62.100 0.103 0.000 1.035 60 T CB 1.050 69.939 68.868 0.035 0.000 0.932 60 T HN 0.462 nan 8.240 nan 0.000 0.469 61 K N 1.906 122.212 120.400 -0.157 0.000 2.201 61 K HA 0.393 4.712 4.320 -0.001 0.000 0.278 61 K C -0.997 175.431 176.600 -0.286 0.000 1.027 61 K CA -0.660 55.287 56.287 -0.566 0.000 0.909 61 K CB 0.443 32.497 32.500 -0.744 0.000 1.062 61 K HN 0.632 nan 8.250 nan 0.000 0.465 62 C N 5.016 124.157 119.300 -0.265 0.000 2.203 62 C HA 0.237 4.697 4.460 -0.001 0.000 0.325 62 C C 1.069 175.972 174.990 -0.146 0.000 1.156 62 C CA -0.607 58.321 59.018 -0.149 0.000 1.597 62 C CB -0.010 27.667 27.740 -0.104 0.000 2.148 62 C HN 0.933 nan 8.230 nan 0.000 0.472 63 Q N 1.111 120.842 119.800 -0.116 0.000 2.339 63 Q HA -0.042 4.298 4.340 -0.001 0.000 0.205 63 Q C 1.624 177.582 176.000 -0.070 0.000 0.925 63 Q CA 0.763 56.509 55.803 -0.095 0.000 0.898 63 Q CB 0.228 28.919 28.738 -0.078 0.000 1.013 63 Q HN 0.688 nan 8.270 nan 0.000 0.504 64 N N 1.054 119.724 118.700 -0.050 0.000 2.135 64 N HA -0.055 4.685 4.740 -0.001 0.000 0.186 64 N C 1.781 177.230 175.510 -0.101 0.000 1.027 64 N CA 1.008 54.039 53.050 -0.032 0.000 0.849 64 N CB 0.003 38.517 38.487 0.044 0.000 1.002 64 N HN 0.224 nan 8.380 nan 0.000 0.425 65 I N 1.019 121.523 120.570 -0.110 0.000 2.361 65 I HA -0.202 3.967 4.170 -0.001 0.000 0.251 65 I C 1.824 177.847 176.117 -0.157 0.000 1.133 65 I CA 1.343 62.536 61.300 -0.178 0.000 1.413 65 I CB -0.405 37.531 38.000 -0.108 0.000 1.073 65 I HN 0.245 nan 8.210 nan 0.000 0.424 66 T N -1.427 113.058 114.554 -0.115 0.000 3.107 66 T HA 0.382 4.732 4.350 -0.001 0.000 0.249 66 T C 0.863 175.513 174.700 -0.084 0.000 1.096 66 T CA -0.076 61.967 62.100 -0.096 0.000 1.012 66 T CB -0.232 68.585 68.868 -0.085 0.000 0.977 66 T HN 0.199 nan 8.240 nan 0.000 0.527 67 A N 0.781 123.548 122.820 -0.088 0.000 2.567 67 A HA 0.481 4.801 4.320 -0.001 0.000 0.240 67 A C 1.720 179.267 177.584 -0.062 0.000 1.053 67 A CA 0.413 52.410 52.037 -0.067 0.000 0.755 67 A CB -1.145 17.818 19.000 -0.062 0.000 0.978 67 A HN 1.547 nan 8.150 nan 0.000 0.507 68 G N 1.434 110.206 108.800 -0.047 0.000 2.175 68 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.244 68 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.244 68 G C 0.500 175.377 174.900 -0.039 0.000 0.982 68 G CA 1.040 46.116 45.100 -0.040 0.000 0.641 68 G HN 2.395 nan 8.290 nan 0.000 0.527 69 T N -3.428 111.101 114.554 -0.043 0.000 2.858 69 T HA 0.718 5.067 4.350 -0.001 0.000 0.285 69 T C 0.610 175.290 174.700 -0.034 0.000 1.052 69 T CA -0.570 61.506 62.100 -0.040 0.000 1.009 69 T CB 1.617 70.456 68.868 -0.047 0.000 1.241 69 T HN 0.115 nan 8.240 nan 0.000 0.542 70 R N 0.075 120.557 120.500 -0.030 0.000 2.515 70 R HA 0.257 4.597 4.340 -0.001 0.000 0.294 70 R C -0.141 176.145 176.300 -0.023 0.000 1.021 70 R CA -0.238 55.848 56.100 -0.023 0.000 1.081 70 R CB 0.145 30.434 30.300 -0.019 0.000 1.263 70 R HN 0.536 nan 8.270 nan 0.000 0.557 71 T N 0.924 115.459 114.554 -0.031 0.000 2.837 71 T HA 0.229 4.579 4.350 -0.001 0.000 0.285 71 T C -0.005 174.675 174.700 -0.034 0.000 0.984 71 T CA 0.125 62.207 62.100 -0.030 0.000 1.049 71 T CB 1.957 70.800 68.868 -0.041 0.000 0.947 71 T HN -0.093 nan 8.240 nan 0.000 0.472 72 T N 4.032 118.577 114.554 -0.016 0.000 2.791 72 T HA 0.529 4.879 4.350 -0.001 0.000 0.288 72 T C -0.925 173.767 174.700 -0.013 0.000 0.999 72 T CA -0.535 61.550 62.100 -0.025 0.000 0.952 72 T CB 0.755 69.646 68.868 0.038 0.000 0.938 72 T HN 0.281 nan 8.240 nan 0.000 0.444 73 L N 4.533 125.699 121.223 -0.096 0.000 2.341 73 L HA 0.672 5.012 4.340 -0.001 0.000 0.278 73 L C -1.746 175.026 176.870 -0.163 0.000 1.005 73 L CA -0.669 54.135 54.840 -0.059 0.000 0.818 73 L CB 0.883 42.907 42.059 -0.059 0.000 1.259 73 L HN 0.582 nan 8.230 nan 0.000 0.418 74 Y N 4.639 124.937 120.300 -0.004 0.000 2.446 74 Y HA 0.649 5.199 4.550 -0.001 0.000 0.345 74 Y C -0.679 175.228 175.900 0.011 0.000 0.984 74 Y CA -0.639 57.464 58.100 0.005 0.000 1.058 74 Y CB 2.068 40.535 38.460 0.011 0.000 1.220 74 Y HN 0.384 nan 8.280 nan 0.000 0.455 75 L N 3.667 124.986 121.223 0.160 0.000 2.325 75 L HA 0.451 4.790 4.340 -0.001 0.000 0.281 75 L C -0.586 176.351 176.870 0.112 0.000 1.004 75 L CA -1.234 53.669 54.840 0.104 0.000 0.823 75 L CB 1.580 43.670 42.059 0.051 0.000 1.236 75 L HN 0.388 nan 8.230 nan 0.000 0.415 76 K N 3.782 124.242 120.400 0.100 0.000 2.349 76 K HA 0.141 4.460 4.320 -0.001 0.000 0.289 76 K C 0.021 176.662 176.600 0.068 0.000 1.064 76 K CA -0.119 56.221 56.287 0.089 0.000 0.947 76 K CB 0.428 32.983 32.500 0.091 0.000 1.007 76 K HN 0.268 nan 8.250 nan 0.000 0.478 77 R N 4.414 124.951 120.500 0.062 0.000 4.164 77 R HA 0.036 4.376 4.340 -0.001 0.000 0.195 77 R C -0.148 176.182 176.300 0.049 0.000 1.712 77 R CA -0.059 56.070 56.100 0.049 0.000 1.457 77 R CB -0.019 30.304 30.300 0.040 0.000 1.387 77 R HN 0.627 nan 8.270 nan 0.000 0.785 78 E N 0.915 121.151 120.200 0.060 0.000 2.482 78 E HA -0.109 4.240 4.350 -0.001 0.000 0.196 78 E C 0.990 177.630 176.600 0.068 0.000 1.047 78 E CA 0.532 56.978 56.400 0.076 0.000 0.869 78 E CB 0.230 29.997 29.700 0.111 0.000 0.836 78 E HN 0.513 nan 8.360 nan 0.000 0.520 79 D N 0.094 120.525 120.400 0.051 0.000 2.348 79 D HA -0.139 4.500 4.640 -0.001 0.000 0.216 79 D C 1.552 177.865 176.300 0.021 0.000 0.970 79 D CA 0.355 54.377 54.000 0.037 0.000 0.889 79 D CB -0.146 40.669 40.800 0.025 0.000 0.912 79 D HN 0.246 nan 8.370 nan 0.000 0.524 80 L N -0.140 121.096 121.223 0.023 0.000 2.592 80 L HA 0.199 4.539 4.340 -0.001 0.000 0.227 80 L C 0.777 177.657 176.870 0.016 0.000 1.127 80 L CA -0.450 54.398 54.840 0.015 0.000 0.884 80 L CB 0.035 42.102 42.059 0.014 0.000 1.065 80 L HN 0.013 nan 8.230 nan 0.000 0.457 81 L N -0.122 121.116 121.223 0.025 0.000 2.436 81 L HA 0.143 4.482 4.340 -0.001 0.000 0.265 81 L C 0.520 177.404 176.870 0.023 0.000 1.168 81 L CA -0.109 54.750 54.840 0.031 0.000 0.815 81 L CB 0.392 42.478 42.059 0.046 0.000 1.109 81 L HN 0.036 nan 8.230 nan 0.000 0.462 82 H N 3.008 122.026 119.070 -0.085 0.000 3.070 82 H HA 0.368 4.924 4.556 -0.001 0.000 0.313 82 H C 1.011 176.292 175.328 -0.077 0.000 0.997 82 H CA 0.958 56.926 56.048 -0.133 0.000 1.438 82 H CB 0.288 29.881 29.762 -0.281 0.000 1.455 82 H HN 0.761 nan 8.280 nan 0.000 0.575 83 G N 2.544 111.033 108.800 -0.517 0.000 2.254 83 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.225 83 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.225 83 G C 1.208 176.012 174.900 -0.160 0.000 1.003 83 G CA 0.532 45.408 45.100 -0.374 0.000 0.622 83 G HN 1.816 nan 8.290 nan 0.000 0.507 84 G N -0.826 107.916 108.800 -0.098 0.000 2.157 84 G HA2 0.363 4.322 3.960 -0.001 0.000 0.248 84 G HA3 0.363 4.322 3.960 -0.001 0.000 0.248 84 G C 0.576 175.479 174.900 0.006 0.000 0.979 84 G CA 1.154 46.235 45.100 -0.033 0.000 0.650 84 G HN 2.528 nan 8.290 nan 0.000 0.529 85 A N -0.952 121.870 122.820 0.003 0.000 2.609 85 A HA 0.740 5.060 4.320 -0.001 0.000 0.291 85 A C 0.844 178.452 177.584 0.041 0.000 1.096 85 A CA 0.542 52.611 52.037 0.053 0.000 0.684 85 A CB 0.238 19.249 19.000 0.018 0.000 1.282 85 A HN 1.097 nan 8.150 nan 0.000 0.412 86 H N 0.529 119.619 119.070 0.033 0.000 2.456 86 H HA -0.058 4.498 4.556 -0.001 0.000 0.296 86 H C 1.057 176.425 175.328 0.066 0.000 1.079 86 H CA 1.715 57.792 56.048 0.048 0.000 1.322 86 H CB -0.233 29.556 29.762 0.045 0.000 1.388 86 H HN 0.731 nan 8.280 nan 0.000 0.538 87 K N 0.395 120.377 120.400 -0.697 0.000 2.144 87 K HA -0.157 4.163 4.320 -0.001 0.000 0.209 87 K C 2.200 178.745 176.600 -0.092 0.000 1.047 87 K CA 2.252 58.292 56.287 -0.410 0.000 0.927 87 K CB -0.135 32.205 32.500 -0.267 0.000 0.716 87 K HN 0.329 nan 8.250 nan 0.000 0.454 88 T N 1.413 115.943 114.554 -0.039 0.000 2.737 88 T HA -0.152 4.198 4.350 -0.001 0.000 0.269 88 T C 1.471 176.241 174.700 0.117 0.000 1.040 88 T CA 1.454 63.586 62.100 0.053 0.000 1.142 88 T CB -0.317 68.592 68.868 0.068 0.000 0.861 88 T HN 0.267 nan 8.240 nan 0.000 0.456 89 N N 1.761 120.535 118.700 0.123 0.000 2.036 89 N HA -0.175 4.565 4.740 -0.001 0.000 0.195 89 N C 2.086 177.770 175.510 0.290 0.000 1.037 89 N CA 1.902 55.070 53.050 0.195 0.000 0.855 89 N CB -0.509 38.094 38.487 0.192 0.000 1.033 89 N HN 0.687 nan 8.380 nan 0.000 0.423 90 Q N 0.849 120.798 119.800 0.249 0.000 2.245 90 Q HA 0.006 4.345 4.340 -0.001 0.000 0.201 90 Q C 1.882 178.006 176.000 0.206 0.000 0.955 90 Q CA 1.032 57.015 55.803 0.300 0.000 0.870 90 Q CB -0.389 28.516 28.738 0.279 0.000 0.945 90 Q HN 0.301 nan 8.270 nan 0.000 0.461 91 V N -1.583 118.417 119.914 0.143 0.000 2.548 91 V HA -0.082 4.037 4.120 -0.001 0.000 0.249 91 V C 2.123 178.249 176.094 0.052 0.000 1.055 91 V CA 1.073 63.433 62.300 0.101 0.000 1.065 91 V CB -0.735 31.123 31.823 0.058 0.000 0.681 91 V HN 0.344 nan 8.190 nan 0.000 0.462 92 L N 1.336 122.602 121.223 0.072 0.000 2.027 92 L HA 0.043 4.383 4.340 -0.001 0.000 0.206 92 L C 2.876 179.621 176.870 -0.208 0.000 1.074 92 L CA 1.829 56.687 54.840 0.031 0.000 0.745 92 L CB -1.197 40.979 42.059 0.195 0.000 0.898 92 L HN 0.479 nan 8.230 nan 0.000 0.433 93 G N -1.121 107.380 108.800 -0.498 0.000 2.421 93 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.216 93 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.216 93 G C 1.488 176.029 174.900 -0.598 0.000 1.171 93 G CA 0.313 44.514 45.100 -1.498 0.000 0.775 93 G HN 0.354 nan 8.290 nan 0.000 0.543 94 Q N 0.069 119.829 119.800 -0.067 0.000 2.170 94 Q HA -0.022 4.317 4.340 -0.001 0.000 0.203 94 Q C 2.995 179.003 176.000 0.014 0.000 0.976 94 Q CA 1.042 56.941 55.803 0.159 0.000 0.858 94 Q CB -0.211 28.704 28.738 0.296 0.000 0.907 94 Q HN 0.500 nan 8.270 nan 0.000 0.433 95 A N 0.723 123.534 122.820 -0.015 0.000 1.898 95 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 95 A C 2.017 179.574 177.584 -0.046 0.000 1.181 95 A CA 0.938 52.965 52.037 -0.017 0.000 0.620 95 A CB -0.526 18.454 19.000 -0.033 0.000 0.819 95 A HN 0.282 nan 8.150 nan 0.000 0.442 96 L N -0.825 120.340 121.223 -0.098 0.000 2.141 96 L HA -0.092 4.248 4.340 -0.001 0.000 0.209 96 L C 2.515 179.475 176.870 0.149 0.000 1.094 96 L CA 0.673 55.480 54.840 -0.055 0.000 0.763 96 L CB -0.309 41.563 42.059 -0.310 0.000 0.908 96 L HN 0.382 nan 8.230 nan 0.000 0.437 97 L N -0.721 120.590 121.223 0.147 0.000 2.093 97 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 97 L C 2.798 179.641 176.870 -0.045 0.000 1.085 97 L CA 1.079 55.971 54.840 0.085 0.000 0.755 97 L CB -0.439 41.644 42.059 0.040 0.000 0.904 97 L HN 0.254 nan 8.230 nan 0.000 0.435 98 A N 0.121 122.865 122.820 -0.126 0.000 1.902 98 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 98 A C 2.253 179.849 177.584 0.021 0.000 1.181 98 A CA 1.746 53.738 52.037 -0.075 0.000 0.623 98 A CB -0.323 18.679 19.000 0.003 0.000 0.818 98 A HN 0.338 nan 8.150 nan 0.000 0.443 99 K N -0.865 119.550 120.400 0.025 0.000 2.097 99 K HA -0.111 4.208 4.320 -0.001 0.000 0.205 99 K C 2.314 178.942 176.600 0.046 0.000 1.050 99 K CA 1.235 57.542 56.287 0.034 0.000 0.938 99 K CB -0.172 32.338 32.500 0.017 0.000 0.718 99 K HN 0.458 nan 8.250 nan 0.000 0.442 100 R N 1.043 121.584 120.500 0.068 0.000 2.120 100 R HA -0.048 4.292 4.340 -0.001 0.000 0.234 100 R C 1.761 178.084 176.300 0.039 0.000 1.123 100 R CA 1.258 57.401 56.100 0.070 0.000 0.975 100 R CB -0.001 30.355 30.300 0.092 0.000 0.866 100 R HN 0.174 nan 8.270 nan 0.000 0.446 101 M N -0.554 119.068 119.600 0.036 0.000 2.561 101 M HA 0.134 4.614 4.480 -0.001 0.000 0.238 101 M C 0.810 177.142 176.300 0.054 0.000 1.131 101 M CA 0.798 56.125 55.300 0.045 0.000 1.046 101 M CB 0.870 33.509 32.600 0.065 0.000 1.532 101 M HN 0.479 nan 8.290 nan 0.000 0.497 102 G N 1.837 110.665 108.800 0.047 0.000 2.147 102 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 102 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 102 G C -0.122 174.811 174.900 0.055 0.000 1.005 102 G CA 0.061 45.187 45.100 0.043 0.000 0.713 102 G HN 0.450 nan 8.290 nan 0.000 0.515 103 K N 0.037 120.481 120.400 0.074 0.000 2.098 103 K HA 0.594 4.913 4.320 -0.001 0.000 0.261 103 K C 1.086 177.733 176.600 0.078 0.000 0.987 103 K CA 0.069 56.414 56.287 0.097 0.000 0.916 103 K CB 1.352 33.947 32.500 0.159 0.000 1.039 103 K HN 0.402 nan 8.250 nan 0.000 0.455 104 S N 0.136 115.882 115.700 0.077 0.000 2.780 104 S HA 0.148 4.618 4.470 -0.001 0.000 0.248 104 S C -0.309 174.328 174.600 0.063 0.000 1.036 104 S CA -0.607 57.627 58.200 0.056 0.000 1.061 104 S CB 0.157 63.380 63.200 0.038 0.000 1.037 104 S HN 0.600 nan 8.310 nan 0.000 0.584 105 E N 1.086 121.342 120.200 0.094 0.000 2.293 105 E HA 0.548 4.898 4.350 -0.001 0.000 0.270 105 E C -1.407 175.269 176.600 0.126 0.000 0.879 105 E CA -0.920 55.537 56.400 0.095 0.000 0.756 105 E CB 1.733 31.493 29.700 0.100 0.000 1.208 105 E HN 0.128 nan 8.360 nan 0.000 0.428 106 I N 2.951 123.575 120.570 0.090 0.000 2.474 106 I HA 0.445 4.615 4.170 -0.001 0.000 0.294 106 I C -0.292 175.861 176.117 0.060 0.000 1.005 106 I CA -0.685 60.666 61.300 0.086 0.000 1.113 106 I CB 1.372 39.402 38.000 0.049 0.000 1.289 106 I HN 0.523 nan 8.210 nan 0.000 0.436 107 I N 4.842 125.452 120.570 0.067 0.000 2.433 107 I HA 0.764 4.934 4.170 -0.001 0.000 0.292 107 I C 0.010 176.206 176.117 0.131 0.000 1.001 107 I CA -0.355 61.019 61.300 0.123 0.000 1.119 107 I CB 1.985 40.109 38.000 0.208 0.000 1.289 107 I HN 0.709 nan 8.210 nan 0.000 0.438 108 A N 5.537 128.444 122.820 0.145 0.000 2.581 108 A HA 0.870 5.189 4.320 -0.001 0.000 0.290 108 A C -1.570 176.150 177.584 0.226 0.000 1.119 108 A CA -0.511 51.610 52.037 0.140 0.000 0.670 108 A CB 2.183 21.162 19.000 -0.035 0.000 1.280 108 A HN 0.659 nan 8.150 nan 0.000 0.425 109 E N 0.097 120.440 120.200 0.238 0.000 2.390 109 E HA 0.727 5.077 4.350 -0.001 0.000 0.277 109 E C -1.538 175.177 176.600 0.192 0.000 0.939 109 E CA -0.410 56.125 56.400 0.225 0.000 0.769 109 E CB 1.852 31.703 29.700 0.251 0.000 1.251 109 E HN 0.856 nan 8.360 nan 0.000 0.450 110 T N 0.167 114.803 114.554 0.136 0.000 2.853 110 T HA 0.610 4.960 4.350 -0.001 0.000 0.311 110 T C 0.159 174.903 174.700 0.073 0.000 1.307 110 T CA 0.150 62.316 62.100 0.111 0.000 1.019 110 T CB 1.367 70.295 68.868 0.100 0.000 1.264 110 T HN 0.535 nan 8.240 nan 0.000 0.497 111 G N 1.115 109.948 108.800 0.054 0.000 2.664 111 G HA2 0.374 4.334 3.960 -0.001 0.000 0.216 111 G HA3 0.374 4.334 3.960 -0.001 0.000 0.216 111 G C 1.659 176.585 174.900 0.042 0.000 1.243 111 G CA 0.818 45.944 45.100 0.044 0.000 0.859 111 G HN 0.931 nan 8.290 nan 0.000 0.574 112 A N -0.664 122.179 122.820 0.039 0.000 1.897 112 A HA 0.416 4.736 4.320 -0.001 0.000 0.215 112 A C 2.059 179.668 177.584 0.042 0.000 1.181 112 A CA 2.195 54.256 52.037 0.039 0.000 0.620 112 A CB -0.464 18.559 19.000 0.037 0.000 0.821 112 A HN 1.774 nan 8.150 nan 0.000 0.443 113 G N -4.050 104.775 108.800 0.042 0.000 2.318 113 G HA2 0.065 4.025 3.960 -0.001 0.000 0.172 113 G HA3 0.065 4.025 3.960 -0.001 0.000 0.172 113 G C 1.107 176.020 174.900 0.021 0.000 1.002 113 G CA 1.147 46.266 45.100 0.032 0.000 0.697 113 G HN 1.076 nan 8.290 nan 0.000 0.483 114 Q N 0.315 120.134 119.800 0.032 0.000 2.002 114 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 114 Q C 2.159 178.169 176.000 0.018 0.000 0.988 114 Q CA 2.398 58.213 55.803 0.020 0.000 0.843 114 Q CB -1.165 27.589 28.738 0.027 0.000 0.908 114 Q HN 0.887 nan 8.270 nan 0.000 0.420 115 H N -0.408 118.628 119.070 -0.056 0.000 2.423 115 H HA -0.016 4.539 4.556 -0.001 0.000 0.297 115 H C 2.330 177.625 175.328 -0.056 0.000 1.075 115 H CA 1.417 57.422 56.048 -0.073 0.000 1.342 115 H CB -0.318 29.390 29.762 -0.089 0.000 1.395 115 H HN 0.556 nan 8.280 nan 0.000 0.530 116 G N 0.524 109.249 108.800 -0.125 0.000 2.421 116 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.216 116 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.216 116 G C 1.876 176.682 174.900 -0.156 0.000 1.171 116 G CA 1.033 46.037 45.100 -0.161 0.000 0.775 116 G HN 0.340 nan 8.290 nan 0.000 0.543 117 V N 1.525 121.379 119.914 -0.100 0.000 2.358 117 V HA -0.111 4.009 4.120 -0.001 0.000 0.246 117 V C 3.329 179.363 176.094 -0.100 0.000 1.047 117 V CA 1.972 64.222 62.300 -0.084 0.000 1.035 117 V CB -0.846 30.942 31.823 -0.058 0.000 0.658 117 V HN 0.480 nan 8.190 nan 0.000 0.452 118 A N -0.295 122.453 122.820 -0.121 0.000 1.908 118 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 118 A C 2.479 179.996 177.584 -0.113 0.000 1.181 118 A CA 2.358 54.335 52.037 -0.100 0.000 0.627 118 A CB -0.686 18.264 19.000 -0.084 0.000 0.818 118 A HN 0.518 nan 8.150 nan 0.000 0.445 119 S N -0.237 115.324 115.700 -0.233 0.000 2.383 119 S HA 0.037 4.507 4.470 -0.001 0.000 0.227 119 S C 2.277 176.811 174.600 -0.111 0.000 1.026 119 S CA 1.029 59.106 58.200 -0.205 0.000 0.981 119 S CB -0.399 62.592 63.200 -0.347 0.000 0.818 119 S HN 0.788 nan 8.310 nan 0.000 0.472 120 A N 2.116 124.872 122.820 -0.107 0.000 1.873 120 A HA -0.036 4.284 4.320 -0.001 0.000 0.215 120 A C 2.201 179.768 177.584 -0.029 0.000 1.186 120 A CA 1.604 53.601 52.037 -0.068 0.000 0.616 120 A CB -0.794 18.163 19.000 -0.072 0.000 0.823 120 A HN 0.526 nan 8.150 nan 0.000 0.442 121 L N -1.519 119.701 121.223 -0.005 0.000 2.046 121 L HA 0.078 4.417 4.340 -0.001 0.000 0.208 121 L C 2.412 179.330 176.870 0.081 0.000 1.077 121 L CA 2.279 57.162 54.840 0.072 0.000 0.747 121 L CB -1.299 40.835 42.059 0.126 0.000 0.896 121 L HN 0.190 nan 8.230 nan 0.000 0.432 122 A N -0.102 122.747 122.820 0.048 0.000 1.902 122 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 122 A C 2.428 179.991 177.584 -0.035 0.000 1.181 122 A CA 1.958 54.001 52.037 0.009 0.000 0.623 122 A CB -1.049 17.958 19.000 0.012 0.000 0.818 122 A HN 0.565 nan 8.150 nan 0.000 0.443 123 S N -0.089 115.595 115.700 -0.027 0.000 2.368 123 S HA -0.033 4.437 4.470 -0.001 0.000 0.225 123 S C 2.294 176.873 174.600 -0.034 0.000 1.030 123 S CA 1.149 59.332 58.200 -0.028 0.000 0.999 123 S CB -0.447 62.738 63.200 -0.025 0.000 0.844 123 S HN 0.791 nan 8.310 nan 0.000 0.459 124 A N 1.288 124.092 122.820 -0.028 0.000 1.902 124 A HA -0.038 4.282 4.320 -0.001 0.000 0.217 124 A C 2.129 179.684 177.584 -0.048 0.000 1.181 124 A CA 1.351 53.372 52.037 -0.027 0.000 0.623 124 A CB -0.682 18.314 19.000 -0.008 0.000 0.818 124 A HN 0.420 nan 8.150 nan 0.000 0.443 125 L N -0.397 120.778 121.223 -0.080 0.000 1.994 125 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 125 L C 1.827 178.605 176.870 -0.154 0.000 1.071 125 L CA 1.752 56.491 54.840 -0.169 0.000 0.745 125 L CB -0.324 41.508 42.059 -0.377 0.000 0.892 125 L HN 0.358 nan 8.230 nan 0.000 0.431 126 L N 0.116 121.261 121.223 -0.129 0.000 2.627 126 L HA 0.262 4.602 4.340 -0.001 0.000 0.232 126 L C 0.993 177.827 176.870 -0.060 0.000 1.150 126 L CA 0.292 55.072 54.840 -0.100 0.000 0.917 126 L CB -1.034 40.968 42.059 -0.094 0.000 1.104 126 L HN 0.539 nan 8.230 nan 0.000 0.445 127 G N 1.387 110.156 108.800 -0.051 0.000 2.359 127 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.298 127 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.298 127 G C -0.325 174.565 174.900 -0.017 0.000 1.030 127 G CA 0.021 45.102 45.100 -0.032 0.000 1.149 127 G HN 0.274 nan 8.290 nan 0.000 0.512 128 L N -0.788 120.426 121.223 -0.014 0.000 2.362 128 L HA 0.519 4.859 4.340 -0.001 0.000 0.271 128 L C 0.499 177.370 176.870 0.002 0.000 1.002 128 L CA -1.136 53.705 54.840 0.002 0.000 0.818 128 L CB 1.913 43.979 42.059 0.011 0.000 1.298 128 L HN 0.079 nan 8.230 nan 0.000 0.420 129 K N 1.815 122.223 120.400 0.012 0.000 2.310 129 K HA 0.245 4.564 4.320 -0.001 0.000 0.290 129 K C -0.718 175.886 176.600 0.007 0.000 1.077 129 K CA -0.239 56.052 56.287 0.007 0.000 0.922 129 K CB 0.873 33.382 32.500 0.015 0.000 1.057 129 K HN 0.427 nan 8.250 nan 0.000 0.479 130 C N 4.865 124.157 119.300 -0.014 0.000 2.319 130 C HA 0.468 4.928 4.460 -0.001 0.000 0.335 130 C C -0.318 174.640 174.990 -0.053 0.000 1.274 130 C CA -0.747 58.254 59.018 -0.027 0.000 1.806 130 C CB -0.326 27.389 27.740 -0.042 0.000 2.329 130 C HN 0.949 nan 8.230 nan 0.000 0.524 131 R N 6.106 126.565 120.500 -0.068 0.000 2.439 131 R HA 0.810 5.149 4.340 -0.001 0.000 0.310 131 R C -1.548 174.625 176.300 -0.211 0.000 0.955 131 R CA -0.621 55.390 56.100 -0.149 0.000 0.853 131 R CB 0.773 30.988 30.300 -0.142 0.000 1.171 131 R HN 0.690 nan 8.270 nan 0.000 0.449 132 I N 3.002 123.413 120.570 -0.264 0.000 2.646 132 I HA 0.437 4.607 4.170 -0.001 0.000 0.299 132 I C -0.778 175.152 176.117 -0.312 0.000 1.036 132 I CA -1.323 59.851 61.300 -0.209 0.000 1.074 132 I CB 1.602 39.542 38.000 -0.100 0.000 1.258 132 I HN 0.537 nan 8.210 nan 0.000 0.430 146 V N 1.171 121.139 119.914 0.089 0.000 2.392 146 V HA -0.175 3.945 4.120 -0.001 0.000 0.249 146 V C 2.047 178.227 176.094 0.144 0.000 1.059 146 V CA 1.643 63.997 62.300 0.090 0.000 1.051 146 V CB -0.617 31.257 31.823 0.085 0.000 0.658 146 V HN 0.200 nan 8.190 nan 0.000 0.455 147 F N 1.770 121.719 119.950 -0.001 0.000 2.206 147 F HA -0.069 4.457 4.527 -0.001 0.000 0.298 147 F C 2.573 178.373 175.800 -0.000 0.000 1.090 147 F CA 1.734 59.734 58.000 0.000 0.000 1.323 147 F CB -0.736 38.266 39.000 0.004 0.000 1.028 147 F HN 0.088 nan 8.300 nan 0.000 0.492 148 R N 0.456 120.951 120.500 -0.009 0.000 2.096 148 R HA -0.146 4.194 4.340 -0.001 0.000 0.235 148 R C 2.129 178.357 176.300 -0.119 0.000 1.127 148 R CA 2.032 58.069 56.100 -0.105 0.000 0.968 148 R CB -1.517 28.770 30.300 -0.022 0.000 0.861 148 R HN 0.489 nan 8.270 nan 0.000 0.440 149 M N 0.057 119.617 119.600 -0.067 0.000 2.132 149 M HA -0.097 4.383 4.480 -0.001 0.000 0.263 149 M C 3.126 179.374 176.300 -0.086 0.000 1.065 149 M CA 2.265 57.525 55.300 -0.068 0.000 1.122 149 M CB -0.226 32.348 32.600 -0.043 0.000 1.365 149 M HN 0.565 nan 8.290 nan 0.000 0.411 150 R N 0.701 121.148 120.500 -0.088 0.000 2.092 150 R HA -0.010 4.330 4.340 -0.001 0.000 0.231 150 R C 1.773 177.973 176.300 -0.167 0.000 1.119 150 R CA 1.341 57.387 56.100 -0.090 0.000 0.970 150 R CB -1.872 28.416 30.300 -0.019 0.000 0.864 150 R HN 0.428 nan 8.270 nan 0.000 0.440 151 L N -0.116 120.919 121.223 -0.314 0.000 2.187 151 L HA -0.026 4.314 4.340 -0.001 0.000 0.213 151 L C 2.166 178.930 176.870 -0.176 0.000 1.100 151 L CA 1.244 55.879 54.840 -0.342 0.000 0.765 151 L CB -0.159 41.602 42.059 -0.498 0.000 0.904 151 L HN 0.387 nan 8.230 nan 0.000 0.437 152 M N -1.136 118.386 119.600 -0.130 0.000 2.549 152 M HA 0.208 4.688 4.480 -0.001 0.000 0.273 152 M C 1.271 177.535 176.300 -0.059 0.000 1.213 152 M CA 0.449 55.705 55.300 -0.074 0.000 0.976 152 M CB 0.588 33.156 32.600 -0.053 0.000 1.457 152 M HN 0.313 nan 8.290 nan 0.000 0.485 153 G N 0.821 109.582 108.800 -0.066 0.000 2.212 153 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.266 153 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.266 153 G C 0.287 175.159 174.900 -0.047 0.000 0.978 153 G CA 0.181 45.252 45.100 -0.048 0.000 0.632 153 G HN 0.693 nan 8.290 nan 0.000 0.537 154 A N 0.326 123.112 122.820 -0.056 0.000 2.488 154 A HA 0.532 4.852 4.320 -0.001 0.000 0.249 154 A C 0.523 178.071 177.584 -0.059 0.000 1.083 154 A CA 0.707 52.708 52.037 -0.059 0.000 0.768 154 A CB 0.325 19.284 19.000 -0.068 0.000 1.017 154 A HN 0.628 nan 8.150 nan 0.000 0.496 155 E N 2.838 122.997 120.200 -0.067 0.000 2.089 155 E HA 0.385 4.735 4.350 -0.001 0.000 0.284 155 E C -1.188 175.349 176.600 -0.105 0.000 1.023 155 E CA -0.404 55.953 56.400 -0.072 0.000 0.819 155 E CB 0.610 30.267 29.700 -0.072 0.000 1.076 155 E HN 0.388 nan 8.360 nan 0.000 0.396 156 V N 7.300 127.170 119.914 -0.074 0.000 2.368 156 V HA 0.225 4.344 4.120 -0.001 0.000 0.266 156 V C 0.590 176.641 176.094 -0.072 0.000 1.045 156 V CA -0.218 62.036 62.300 -0.075 0.000 0.899 156 V CB 0.326 32.136 31.823 -0.022 0.000 1.006 156 V HN 0.642 nan 8.190 nan 0.000 0.470 174 L N 0.862 121.935 121.223 -0.249 0.000 2.131 174 L HA -0.122 4.218 4.340 -0.001 0.000 0.210 174 L C 3.285 180.172 176.870 0.029 0.000 1.092 174 L CA 1.875 56.632 54.840 -0.139 0.000 0.759 174 L CB -0.686 41.324 42.059 -0.081 0.000 0.903 174 L HN 0.733 nan 8.230 nan 0.000 0.435 175 R N 0.204 120.695 120.500 -0.016 0.000 2.073 175 R HA -0.250 4.090 4.340 -0.001 0.000 0.234 175 R C 1.881 178.220 176.300 0.064 0.000 1.134 175 R CA 2.061 58.168 56.100 0.012 0.000 0.952 175 R CB -1.573 28.711 30.300 -0.027 0.000 0.850 175 R HN 0.447 nan 8.270 nan 0.000 0.433 176 D N -1.220 119.230 120.400 0.083 0.000 2.144 176 D HA -0.174 4.465 4.640 -0.001 0.000 0.199 176 D C 1.734 178.182 176.300 0.246 0.000 0.984 176 D CA 1.164 55.260 54.000 0.161 0.000 0.834 176 D CB -0.432 40.505 40.800 0.228 0.000 0.955 176 D HN 0.621 nan 8.370 nan 0.000 0.465 177 W N 1.205 122.526 121.300 0.034 0.000 2.425 177 W HA -0.001 4.659 4.660 -0.000 0.000 0.277 177 W C 2.411 179.036 176.519 0.176 0.000 1.231 177 W CA 1.292 58.689 57.345 0.087 0.000 1.248 177 W CB -0.508 28.940 29.460 -0.020 0.000 1.117 177 W HN -0.112 nan 8.180 nan 0.000 0.568 178 S N -0.482 115.304 115.700 0.142 0.000 2.370 178 S HA -0.117 4.353 4.470 -0.001 0.000 0.226 178 S C 1.652 176.336 174.600 0.141 0.000 1.033 178 S CA 1.541 59.774 58.200 0.055 0.000 1.011 178 S CB -0.886 62.336 63.200 0.037 0.000 0.852 178 S HN 0.357 nan 8.310 nan 0.000 0.457 179 G N 0.215 109.072 108.800 0.094 0.000 4.291 179 G HA2 0.441 4.401 3.960 -0.001 0.000 0.304 179 G HA3 0.441 4.401 3.960 -0.001 0.000 0.304 179 G C 0.329 175.224 174.900 -0.008 0.000 1.264 179 G CA 0.295 45.412 45.100 0.028 0.000 1.039 179 G HN 0.497 nan 8.290 nan 0.000 0.578 180 S N -1.556 114.137 115.700 -0.011 0.000 2.671 180 S HA -0.050 4.420 4.470 -0.001 0.000 0.231 180 S C 1.232 175.857 174.600 0.042 0.000 0.882 180 S CA 0.047 58.249 58.200 0.004 0.000 1.476 180 S CB -1.173 62.096 63.200 0.116 0.000 1.257 180 S HN 0.531 nan 8.310 nan 0.000 0.633 181 Y N 2.948 123.232 120.300 -0.027 0.000 2.639 181 Y HA 0.200 4.750 4.550 -0.001 0.000 0.297 181 Y C 1.759 177.692 175.900 0.055 0.000 1.151 181 Y CA 0.902 58.971 58.100 -0.051 0.000 1.335 181 Y CB -0.760 37.283 38.460 -0.695 0.000 0.994 181 Y HN 0.598 nan 8.280 nan 0.000 0.548 182 E N 0.834 120.812 120.200 -0.371 0.000 2.285 182 E HA -0.085 4.265 4.350 -0.001 0.000 0.194 182 E C 1.315 177.909 176.600 -0.010 0.000 0.997 182 E CA 1.396 57.672 56.400 -0.208 0.000 0.845 182 E CB -0.368 29.148 29.700 -0.306 0.000 0.782 182 E HN 0.517 nan 8.360 nan 0.000 0.491 183 T N -2.652 111.921 114.554 0.033 0.000 3.043 183 T HA 0.579 4.929 4.350 -0.001 0.000 0.272 183 T C 0.288 175.081 174.700 0.154 0.000 0.990 183 T CA -0.107 62.041 62.100 0.079 0.000 0.897 183 T CB 0.978 69.871 68.868 0.042 0.000 1.111 183 T HN 0.266 nan 8.240 nan 0.000 0.529 184 A N 1.071 124.041 122.820 0.249 0.000 2.414 184 A HA 0.723 5.043 4.320 -0.001 0.000 0.306 184 A C -1.403 176.500 177.584 0.532 0.000 1.054 184 A CA -0.771 51.464 52.037 0.330 0.000 0.724 184 A CB 1.219 20.403 19.000 0.307 0.000 1.267 184 A HN 0.535 nan 8.150 nan 0.000 0.418 185 H N 0.597 119.849 119.070 0.304 0.000 2.469 185 H HA 0.550 5.105 4.556 -0.001 0.000 0.342 185 H C -1.653 173.677 175.328 0.004 0.000 1.115 185 H CA -0.534 55.678 56.048 0.272 0.000 1.204 185 H CB 0.962 30.838 29.762 0.190 0.000 1.492 185 H HN 0.592 nan 8.280 nan 0.000 0.499 186 Y N 5.669 125.194 120.300 -1.291 0.000 2.452 186 Y HA 0.209 4.759 4.550 -0.000 0.000 0.348 186 Y C -0.469 174.835 175.900 -0.995 0.000 0.985 186 Y CA -0.958 56.399 58.100 -1.238 0.000 1.214 186 Y CB 0.404 37.705 38.460 -1.932 0.000 1.136 186 Y HN 0.745 nan 8.280 nan 0.000 0.523 187 M N 8.793 127.914 119.600 -0.798 0.000 2.664 187 M HA 0.261 4.741 4.480 -0.001 0.000 0.332 187 M C -1.207 174.714 176.300 -0.631 0.000 1.354 187 M CA -0.365 54.656 55.300 -0.466 0.000 1.399 187 M CB -0.174 32.372 32.600 -0.091 0.000 1.224 187 M HN 0.715 nan 8.290 nan 0.000 0.479 188 L N 2.988 123.633 121.223 -0.964 0.000 2.485 188 L HA 0.169 4.509 4.340 -0.001 0.000 0.275 188 L C 1.269 177.788 176.870 -0.585 0.000 1.207 188 L CA 0.208 54.484 54.840 -0.941 0.000 0.855 188 L CB 0.986 42.344 42.059 -1.168 0.000 1.114 188 L HN 0.824 nan 8.230 nan 0.000 0.485 189 G N 1.808 110.108 108.800 -0.833 0.000 3.042 189 G HA2 0.071 4.031 3.960 -0.001 0.000 0.212 189 G HA3 0.071 4.031 3.960 -0.001 0.000 0.212 189 G C 0.336 174.949 174.900 -0.479 0.000 1.166 189 G CA 0.384 44.864 45.100 -1.033 0.000 0.767 189 G HN 0.570 nan 8.290 nan 0.000 0.546 190 T N -1.728 112.613 114.554 -0.355 0.000 2.787 190 T HA 0.520 4.870 4.350 -0.001 0.000 0.297 190 T C -0.369 174.249 174.700 -0.136 0.000 1.221 190 T CA 0.234 62.198 62.100 -0.227 0.000 1.006 190 T CB 1.293 69.960 68.868 -0.335 0.000 1.328 190 T HN 0.181 nan 8.240 nan 0.000 0.509 191 A N 1.161 123.946 122.820 -0.059 0.000 2.916 191 A HA 0.684 5.003 4.320 -0.001 0.000 0.254 191 A C 0.598 178.185 177.584 0.005 0.000 1.544 191 A CA 0.425 52.455 52.037 -0.012 0.000 1.224 191 A CB -1.505 17.509 19.000 0.023 0.000 1.012 191 A HN 1.076 nan 8.150 nan 0.000 0.636 192 A N -1.004 121.803 122.820 -0.022 0.000 2.504 192 A HA 0.968 5.287 4.320 -0.001 0.000 0.285 192 A C 0.521 178.052 177.584 -0.088 0.000 1.261 192 A CA -0.123 51.944 52.037 0.049 0.000 0.741 192 A CB 0.345 19.459 19.000 0.190 0.000 1.327 192 A HN 2.241 nan 8.150 nan 0.000 0.441 193 G N -1.308 107.384 108.800 -0.181 0.000 2.660 193 G HA2 0.059 4.019 3.960 -0.001 0.000 0.247 193 G HA3 0.059 4.019 3.960 -0.001 0.000 0.247 193 G C -3.076 171.684 174.900 -0.232 0.000 1.328 193 G CA -0.262 44.432 45.100 -0.678 0.000 0.884 193 G HN 0.963 nan 8.290 nan 0.000 0.531 194 P HA 0.266 nan 4.420 nan 0.000 0.274 194 P C -0.104 177.249 177.300 0.088 0.000 1.231 194 P CA -0.034 63.068 63.100 0.004 0.000 0.790 194 P CB 0.738 32.450 31.700 0.020 0.000 0.951 195 H N 4.435 123.470 119.070 -0.058 0.000 2.948 195 H HA 0.026 4.582 4.556 -0.001 0.000 0.351 195 H C -1.441 173.808 175.328 -0.132 0.000 1.079 195 H CA -0.550 55.440 56.048 -0.098 0.000 1.407 195 H CB 0.219 29.889 29.762 -0.154 0.000 1.373 195 H HN 0.269 nan 8.280 nan 0.000 0.605 196 P HA -0.015 nan 4.420 nan 0.000 0.254 196 P C 0.245 177.193 177.300 -0.587 0.000 1.494 196 P CA 0.212 62.668 63.100 -1.074 0.000 0.961 196 P CB -0.076 30.918 31.700 -1.177 0.000 1.493 197 Y N 1.749 121.879 120.300 -0.284 0.000 2.128 197 Y HA -0.115 4.435 4.550 -0.001 0.000 0.284 197 Y C -0.225 175.558 175.900 -0.196 0.000 1.154 197 Y CA 2.091 60.046 58.100 -0.242 0.000 1.149 197 Y CB -2.420 35.914 38.460 -0.209 0.000 0.976 197 Y HN 0.180 nan 8.280 nan 0.000 0.505 198 P HA -0.146 nan 4.420 nan 0.000 0.215 198 P C 1.544 178.860 177.300 0.026 0.000 1.153 198 P CA 2.496 65.630 63.100 0.057 0.000 0.853 198 P CB -0.092 31.702 31.700 0.157 0.000 0.788 199 T N -0.986 113.589 114.554 0.035 0.000 2.857 199 T HA -0.024 4.326 4.350 -0.001 0.000 0.266 199 T C 1.759 176.262 174.700 -0.328 0.000 1.048 199 T CA 0.930 63.019 62.100 -0.018 0.000 1.139 199 T CB -0.738 68.137 68.868 0.012 0.000 0.874 199 T HN 0.061 nan 8.240 nan 0.000 0.455 200 I N 0.771 120.961 120.570 -0.634 0.000 2.286 200 I HA -0.107 4.063 4.170 -0.001 0.000 0.245 200 I C 2.406 178.187 176.117 -0.560 0.000 1.104 200 I CA 0.804 61.486 61.300 -1.030 0.000 1.397 200 I CB -0.345 37.010 38.000 -1.075 0.000 1.072 200 I HN 0.061 nan 8.210 nan 0.000 0.417 201 V N 1.056 120.836 119.914 -0.224 0.000 2.490 201 V HA -0.274 3.846 4.120 -0.001 0.000 0.250 201 V C 2.613 178.732 176.094 0.042 0.000 1.061 201 V CA 1.860 64.150 62.300 -0.017 0.000 1.064 201 V CB -0.851 30.981 31.823 0.015 0.000 0.670 201 V HN 0.434 nan 8.190 nan 0.000 0.461 202 R N 0.086 120.582 120.500 -0.006 0.000 2.066 202 R HA -0.145 4.194 4.340 -0.001 0.000 0.232 202 R C 2.295 178.661 176.300 0.111 0.000 1.131 202 R CA 1.526 57.658 56.100 0.053 0.000 0.955 202 R CB -0.165 30.156 30.300 0.036 0.000 0.851 202 R HN 0.438 nan 8.270 nan 0.000 0.432 203 E N 0.138 120.380 120.200 0.070 0.000 2.153 203 E HA -0.161 4.189 4.350 -0.001 0.000 0.194 203 E C 1.564 178.411 176.600 0.410 0.000 0.988 203 E CA 0.918 57.434 56.400 0.193 0.000 0.811 203 E CB -0.127 29.704 29.700 0.218 0.000 0.746 203 E HN 0.340 nan 8.360 nan 0.000 0.466 204 F N 0.468 120.579 119.950 0.269 0.000 2.811 204 F HA 0.083 4.610 4.527 -0.001 0.000 0.301 204 F C 1.805 177.795 175.800 0.316 0.000 1.151 204 F CA 0.428 58.652 58.000 0.373 0.000 1.412 204 F CB 0.184 39.345 39.000 0.269 0.000 1.113 204 F HN -0.047 nan 8.300 nan 0.000 0.579 205 Q N -0.602 119.428 119.800 0.383 0.000 2.185 205 Q HA 0.096 4.436 4.340 -0.001 0.000 0.234 205 Q C 2.010 178.127 176.000 0.196 0.000 0.819 205 Q CA 0.015 55.978 55.803 0.268 0.000 0.961 205 Q CB 0.384 29.260 28.738 0.229 0.000 1.140 205 Q HN 0.487 nan 8.270 nan 0.000 0.492 206 R N 0.854 121.473 120.500 0.199 0.000 2.285 206 R HA -0.029 4.311 4.340 -0.001 0.000 0.213 206 R C 1.965 178.324 176.300 0.098 0.000 1.068 206 R CA 1.057 57.241 56.100 0.139 0.000 1.004 206 R CB -0.444 29.938 30.300 0.137 0.000 0.873 206 R HN 0.079 nan 8.270 nan 0.000 0.467 207 M N 0.167 119.828 119.600 0.102 0.000 2.374 207 M HA -0.029 4.450 4.480 -0.001 0.000 0.264 207 M C 1.673 177.999 176.300 0.043 0.000 1.067 207 M CA 1.466 56.793 55.300 0.046 0.000 1.103 207 M CB -0.697 31.906 32.600 0.005 0.000 1.402 207 M HN 0.206 nan 8.290 nan 0.000 0.444 208 I N 1.633 122.248 120.570 0.074 0.000 2.127 208 I HA -0.193 3.977 4.170 -0.001 0.000 0.241 208 I C 2.822 178.991 176.117 0.086 0.000 1.075 208 I CA 1.661 63.009 61.300 0.081 0.000 1.334 208 I CB -1.063 36.993 38.000 0.094 0.000 1.040 208 I HN 0.434 nan 8.210 nan 0.000 0.405 209 G N 0.111 108.962 108.800 0.084 0.000 2.408 209 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.217 209 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.217 209 G C 1.485 176.311 174.900 -0.123 0.000 1.150 209 G CA 0.473 45.607 45.100 0.057 0.000 0.776 209 G HN 0.425 nan 8.290 nan 0.000 0.542 210 E N 0.471 120.613 120.200 -0.097 0.000 2.077 210 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 210 E C 2.373 178.933 176.600 -0.066 0.000 0.989 210 E CA 1.125 57.456 56.400 -0.115 0.000 0.800 210 E CB -0.113 29.555 29.700 -0.054 0.000 0.746 210 E HN 0.551 nan 8.360 nan 0.000 0.452 211 E N 0.236 120.426 120.200 -0.017 0.000 2.047 211 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 211 E C 2.202 178.818 176.600 0.026 0.000 0.987 211 E CA 1.432 57.834 56.400 0.003 0.000 0.799 211 E CB -0.047 29.662 29.700 0.015 0.000 0.752 211 E HN 0.147 nan 8.360 nan 0.000 0.449 212 T N 1.323 115.918 114.554 0.069 0.000 2.699 212 T HA -0.233 4.116 4.350 -0.001 0.000 0.268 212 T C 1.796 176.598 174.700 0.170 0.000 1.036 212 T CA 1.615 63.797 62.100 0.136 0.000 1.147 212 T CB -0.139 68.884 68.868 0.259 0.000 0.862 212 T HN 0.133 nan 8.240 nan 0.000 0.446 213 K N 0.952 121.433 120.400 0.135 0.000 2.025 213 K HA 0.004 4.324 4.320 -0.001 0.000 0.207 213 K C 2.562 179.191 176.600 0.048 0.000 1.049 213 K CA 1.213 57.576 56.287 0.127 0.000 0.933 213 K CB -0.337 32.049 32.500 -0.190 0.000 0.714 213 K HN 0.269 nan 8.250 nan 0.000 0.438 214 A N 1.097 123.917 122.820 0.000 0.000 1.933 214 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 214 A C 2.027 179.606 177.584 -0.008 0.000 1.175 214 A CA 1.537 53.570 52.037 -0.006 0.000 0.628 214 A CB -0.504 18.488 19.000 -0.013 0.000 0.814 214 A HN 0.502 nan 8.150 nan 0.000 0.444 215 Q N -1.294 118.500 119.800 -0.009 0.000 2.079 215 Q HA -0.094 4.246 4.340 -0.001 0.000 0.200 215 Q C 2.013 177.957 176.000 -0.093 0.000 0.974 215 Q CA 1.362 57.145 55.803 -0.034 0.000 0.840 215 Q CB -0.267 28.458 28.738 -0.023 0.000 0.898 215 Q HN 0.639 nan 8.270 nan 0.000 0.430 216 I N 0.534 121.040 120.570 -0.107 0.000 2.315 216 I HA -0.215 3.955 4.170 -0.001 0.000 0.248 216 I C 1.765 177.818 176.117 -0.107 0.000 1.117 216 I CA 1.195 62.376 61.300 -0.198 0.000 1.404 216 I CB -0.025 37.889 38.000 -0.144 0.000 1.071 216 I HN 0.157 nan 8.210 nan 0.000 0.419 217 L N -0.111 121.091 121.223 -0.034 0.000 2.131 217 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 217 L C 2.099 178.957 176.870 -0.019 0.000 1.092 217 L CA 1.717 56.549 54.840 -0.013 0.000 0.759 217 L CB -0.700 41.364 42.059 0.009 0.000 0.903 217 L HN 0.303 nan 8.230 nan 0.000 0.435 218 D N -0.234 120.151 120.400 -0.026 0.000 2.149 218 D HA -0.151 4.488 4.640 -0.001 0.000 0.201 218 D C 2.165 178.457 176.300 -0.013 0.000 0.972 218 D CA 1.077 55.068 54.000 -0.015 0.000 0.835 218 D CB 0.304 41.097 40.800 -0.011 0.000 0.966 218 D HN -0.018 nan 8.370 nan 0.000 0.476 219 K N -0.133 120.244 120.400 -0.038 0.000 2.166 219 K HA 0.060 4.380 4.320 -0.001 0.000 0.201 219 K C 1.472 178.078 176.600 0.010 0.000 1.052 219 K CA 0.725 57.007 56.287 -0.008 0.000 0.969 219 K CB 0.241 32.720 32.500 -0.035 0.000 0.761 219 K HN 0.220 nan 8.250 nan 0.000 0.459 220 E N -0.768 119.413 120.200 -0.032 0.000 2.490 220 E HA 0.097 4.447 4.350 -0.001 0.000 0.209 220 E C 0.747 177.348 176.600 0.002 0.000 0.971 220 E CA 0.430 56.831 56.400 0.002 0.000 0.988 220 E CB 0.864 30.557 29.700 -0.012 0.000 1.029 220 E HN 0.387 nan 8.360 nan 0.000 0.496 221 G N 2.832 111.628 108.800 -0.007 0.000 2.160 221 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.251 221 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.251 221 G C 0.267 175.170 174.900 0.004 0.000 1.008 221 G CA 1.034 46.135 45.100 0.002 0.000 0.724 221 G HN 0.360 nan 8.290 nan 0.000 0.514 222 R N -1.988 118.512 120.500 0.000 0.000 2.747 222 R HA 0.777 5.117 4.340 -0.001 0.000 0.272 222 R C -0.472 175.832 176.300 0.007 0.000 1.032 222 R CA -1.337 54.767 56.100 0.007 0.000 0.896 222 R CB 0.773 31.075 30.300 0.004 0.000 1.253 222 R HN 0.123 nan 8.270 nan 0.000 0.461 223 L N 0.554 121.788 121.223 0.018 0.000 2.439 223 L HA 0.523 4.863 4.340 -0.001 0.000 0.259 223 L C -2.031 174.810 176.870 -0.049 0.000 1.129 223 L CA -2.289 52.565 54.840 0.024 0.000 0.803 223 L CB 0.900 42.997 42.059 0.062 0.000 1.161 223 L HN 0.412 nan 8.230 nan 0.000 0.462 224 P HA 0.070 nan 4.420 nan 0.000 0.274 224 P C -0.350 176.863 177.300 -0.145 0.000 1.231 224 P CA -0.305 62.702 63.100 -0.154 0.000 0.790 224 P CB 0.671 32.216 31.700 -0.258 0.000 0.951 225 D N 0.138 120.480 120.400 -0.096 0.000 2.194 225 D HA 0.096 4.736 4.640 -0.001 0.000 0.204 225 D C 0.435 176.666 176.300 -0.116 0.000 0.964 225 D CA 1.212 55.162 54.000 -0.084 0.000 0.846 225 D CB 0.293 41.063 40.800 -0.049 0.000 0.962 225 D HN 0.403 nan 8.370 nan 0.000 0.490 226 A N -0.017 122.723 122.820 -0.133 0.000 2.594 226 A HA 0.471 4.791 4.320 -0.001 0.000 0.296 226 A C -1.076 176.423 177.584 -0.143 0.000 1.056 226 A CA -0.758 51.190 52.037 -0.150 0.000 0.693 226 A CB 1.349 20.296 19.000 -0.089 0.000 1.278 226 A HN -0.051 nan 8.150 nan 0.000 0.408 227 V N -0.230 119.589 119.914 -0.160 0.000 2.555 227 V HA 0.907 5.026 4.120 -0.001 0.000 0.302 227 V C -0.565 175.579 176.094 0.084 0.000 1.038 227 V CA -0.662 61.608 62.300 -0.049 0.000 0.887 227 V CB 1.075 32.860 31.823 -0.063 0.000 0.991 227 V HN 0.706 nan 8.190 nan 0.000 0.434 228 I N 3.963 124.609 120.570 0.127 0.000 2.498 228 I HA 0.916 5.086 4.170 -0.001 0.000 0.290 228 I C 0.104 176.304 176.117 0.139 0.000 1.032 228 I CA -0.741 60.652 61.300 0.154 0.000 1.073 228 I CB 1.927 40.006 38.000 0.131 0.000 1.251 228 I HN 0.992 nan 8.210 nan 0.000 0.426 229 A N 4.070 126.964 122.820 0.123 0.000 2.549 229 A HA 0.699 5.019 4.320 -0.001 0.000 0.297 229 A C -0.443 177.128 177.584 -0.021 0.000 1.061 229 A CA -0.704 51.338 52.037 0.009 0.000 0.690 229 A CB 1.220 20.154 19.000 -0.110 0.000 1.287 229 A HN 0.958 nan 8.150 nan 0.000 0.402 230 C N 0.541 119.819 119.300 -0.036 0.000 2.657 230 C HA 0.710 5.169 4.460 -0.001 0.000 0.404 230 C C 0.193 175.117 174.990 -0.110 0.000 1.291 230 C CA -0.543 58.450 59.018 -0.041 0.000 2.218 230 C CB -0.321 27.402 27.740 -0.027 0.000 2.687 230 C HN 0.655 nan 8.230 nan 0.000 0.634 231 V N 4.270 124.121 119.914 -0.104 0.000 2.325 231 V HA 0.560 4.680 4.120 -0.001 0.000 0.280 231 V C 0.880 176.910 176.094 -0.107 0.000 1.016 231 V CA 0.763 62.971 62.300 -0.153 0.000 0.818 231 V CB 0.625 32.354 31.823 -0.157 0.000 1.019 231 V HN 1.270 nan 8.190 nan 0.000 0.434 232 G N 3.266 112.018 108.800 -0.081 0.000 2.729 232 G HA2 0.238 4.198 3.960 -0.001 0.000 0.211 232 G HA3 0.238 4.198 3.960 -0.001 0.000 0.211 232 G C 1.221 176.175 174.900 0.090 0.000 1.182 232 G CA 0.913 46.007 45.100 -0.009 0.000 0.851 232 G HN 0.772 nan 8.290 nan 0.000 0.607 233 G N -1.149 107.650 108.800 -0.002 0.000 2.743 233 G HA2 0.398 4.358 3.960 -0.001 0.000 0.206 233 G HA3 0.398 4.358 3.960 -0.001 0.000 0.206 233 G C 1.103 175.994 174.900 -0.015 0.000 1.115 233 G CA 0.894 45.969 45.100 -0.040 0.000 0.782 233 G HN 1.632 nan 8.290 nan 0.000 0.524 234 G N 0.063 108.813 108.800 -0.084 0.000 2.192 234 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.193 234 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.193 234 G C 1.569 176.513 174.900 0.073 0.000 0.999 234 G CA 1.110 46.132 45.100 -0.130 0.000 0.659 234 G HN 1.231 nan 8.290 nan 0.000 0.503 235 S N 1.511 117.231 115.700 0.035 0.000 2.345 235 S HA -0.158 4.312 4.470 -0.001 0.000 0.220 235 S C 2.203 176.825 174.600 0.037 0.000 1.031 235 S CA 1.784 60.034 58.200 0.084 0.000 0.996 235 S CB -0.605 62.675 63.200 0.134 0.000 0.882 235 S HN 0.988 nan 8.310 nan 0.000 0.445 236 N N 2.881 121.493 118.700 -0.146 0.000 2.244 236 N HA -0.043 4.697 4.740 -0.001 0.000 0.183 236 N C 1.927 177.266 175.510 -0.286 0.000 1.016 236 N CA 1.322 54.096 53.050 -0.461 0.000 0.866 236 N CB -0.606 37.160 38.487 -1.201 0.000 0.980 236 N HN 0.567 nan 8.380 nan 0.000 0.430 237 A N 1.347 123.986 122.820 -0.301 0.000 1.873 237 A HA -0.013 4.306 4.320 -0.001 0.000 0.215 237 A C 2.229 179.444 177.584 -0.615 0.000 1.186 237 A CA 0.885 52.604 52.037 -0.529 0.000 0.616 237 A CB -0.634 18.029 19.000 -0.561 0.000 0.823 237 A HN 0.286 nan 8.150 nan 0.000 0.442 238 I N 0.139 120.614 120.570 -0.159 0.000 2.546 238 I HA -0.050 4.120 4.170 -0.001 0.000 0.255 238 I C 2.244 178.363 176.117 0.002 0.000 1.163 238 I CA 1.223 62.469 61.300 -0.089 0.000 1.457 238 I CB -0.427 37.531 38.000 -0.071 0.000 1.092 238 I HN 0.231 nan 8.210 nan 0.000 0.434 239 G N 0.119 108.923 108.800 0.005 0.000 2.408 239 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 239 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 239 G C 1.592 176.550 174.900 0.098 0.000 1.150 239 G CA 1.048 46.192 45.100 0.073 0.000 0.776 239 G HN 0.405 nan 8.290 nan 0.000 0.542 240 M N -0.327 119.316 119.600 0.073 0.000 2.236 240 M HA 0.298 4.778 4.480 -0.001 0.000 0.266 240 M C 1.887 178.468 176.300 0.469 0.000 1.070 240 M CA 0.893 56.324 55.300 0.218 0.000 1.137 240 M CB -0.320 32.378 32.600 0.163 0.000 1.378 240 M HN 0.069 nan 8.290 nan 0.000 0.426 241 F N 0.771 120.840 119.950 0.199 0.000 2.113 241 F HA 0.133 4.659 4.527 -0.001 0.000 0.297 241 F C 2.578 178.489 175.800 0.184 0.000 1.103 241 F CA 0.682 58.809 58.000 0.212 0.000 1.248 241 F CB -1.978 37.108 39.000 0.143 0.000 0.999 241 F HN 0.285 nan 8.300 nan 0.000 0.475 242 A N 0.465 123.476 122.820 0.320 0.000 1.893 242 A HA -0.376 3.944 4.320 -0.001 0.000 0.222 242 A C 1.972 179.623 177.584 0.112 0.000 1.309 242 A CA 2.715 54.862 52.037 0.185 0.000 0.681 242 A CB -1.480 17.599 19.000 0.133 0.000 0.842 242 A HN 0.354 nan 8.150 nan 0.000 0.468 243 D N -2.505 117.899 120.400 0.007 0.000 2.350 243 D HA -0.002 4.638 4.640 -0.001 0.000 0.216 243 D C 1.031 177.173 176.300 -0.264 0.000 0.968 243 D CA 0.696 54.593 54.000 -0.172 0.000 0.894 243 D CB -0.136 40.465 40.800 -0.330 0.000 0.909 243 D HN 0.450 nan 8.370 nan 0.000 0.520 244 F N -0.588 119.410 119.950 0.080 0.000 2.721 244 F HA 0.309 4.835 4.527 -0.000 0.000 0.301 244 F C 1.766 177.580 175.800 0.023 0.000 1.096 244 F CA -0.246 57.780 58.000 0.042 0.000 1.308 244 F CB -0.058 38.960 39.000 0.030 0.000 1.086 244 F HN -0.041 nan 8.300 nan 0.000 0.587 245 I N 0.402 121.087 120.570 0.190 0.000 2.185 245 I HA -0.392 3.777 4.170 -0.001 0.000 0.246 245 I C 1.521 177.698 176.117 0.100 0.000 1.088 245 I CA 1.827 63.204 61.300 0.127 0.000 1.347 245 I CB -0.499 37.584 38.000 0.137 0.000 1.041 245 I HN 0.225 nan 8.210 nan 0.000 0.415 246 N N 0.037 118.794 118.700 0.095 0.000 2.467 246 N HA -0.058 4.681 4.740 -0.001 0.000 0.184 246 N C -0.239 175.316 175.510 0.075 0.000 1.106 246 N CA 0.118 53.213 53.050 0.075 0.000 0.892 246 N CB 0.186 38.709 38.487 0.061 0.000 0.969 246 N HN 0.268 nan 8.380 nan 0.000 0.454 247 D N 0.835 121.299 120.400 0.106 0.000 2.522 247 D HA -0.002 4.638 4.640 -0.001 0.000 0.218 247 D C 1.325 177.665 176.300 0.067 0.000 1.149 247 D CA 0.147 54.212 54.000 0.108 0.000 0.981 247 D CB 0.846 41.769 40.800 0.204 0.000 1.041 247 D HN 0.280 nan 8.370 nan 0.000 0.518 248 T N -1.523 113.055 114.554 0.040 0.000 2.760 248 T HA -0.279 4.070 4.350 -0.001 0.000 0.269 248 T C 1.954 176.650 174.700 -0.007 0.000 1.047 248 T CA 1.772 63.880 62.100 0.013 0.000 1.139 248 T CB -0.157 68.718 68.868 0.012 0.000 0.855 248 T HN 0.256 nan 8.240 nan 0.000 0.471 249 S N 0.456 116.155 115.700 -0.000 0.000 2.481 249 S HA 0.114 4.583 4.470 -0.001 0.000 0.231 249 S C 0.741 175.313 174.600 -0.047 0.000 0.996 249 S CA -0.084 58.106 58.200 -0.018 0.000 0.942 249 S CB -0.658 62.538 63.200 -0.006 0.000 0.768 249 S HN 0.430 nan 8.310 nan 0.000 0.520 250 V N 2.420 122.302 119.914 -0.055 0.000 2.432 250 V HA 0.597 4.716 4.120 -0.001 0.000 0.271 250 V C 1.039 177.035 176.094 -0.163 0.000 1.046 250 V CA -0.374 61.847 62.300 -0.132 0.000 0.945 250 V CB 0.527 32.240 31.823 -0.182 0.000 0.992 250 V HN 0.444 nan 8.190 nan 0.000 0.471 251 G N 5.251 113.942 108.800 -0.182 0.000 2.390 251 G HA2 0.550 4.510 3.960 -0.001 0.000 0.270 251 G HA3 0.550 4.510 3.960 -0.001 0.000 0.270 251 G C -0.651 174.066 174.900 -0.304 0.000 1.211 251 G CA -0.530 44.449 45.100 -0.202 0.000 0.842 251 G HN 0.639 nan 8.290 nan 0.000 0.519 252 L N 2.755 123.720 121.223 -0.431 0.000 2.298 252 L HA 0.488 4.828 4.340 -0.001 0.000 0.284 252 L C -0.340 176.140 176.870 -0.650 0.000 1.013 252 L CA -0.509 53.842 54.840 -0.816 0.000 0.824 252 L CB 1.570 42.830 42.059 -1.332 0.000 1.221 252 L HN 0.313 nan 8.230 nan 0.000 0.418 253 I N 2.588 122.949 120.570 -0.348 0.000 2.410 253 I HA 0.452 4.621 4.170 -0.001 0.000 0.286 253 I C 0.471 176.604 176.117 0.026 0.000 1.009 253 I CA -0.388 60.781 61.300 -0.219 0.000 1.111 253 I CB 1.975 39.901 38.000 -0.122 0.000 1.262 253 I HN 0.621 nan 8.210 nan 0.000 0.443 254 G N 5.484 114.164 108.800 -0.200 0.000 2.356 254 G HA2 0.582 4.542 3.960 -0.001 0.000 0.322 254 G HA3 0.582 4.542 3.960 -0.001 0.000 0.322 254 G C -0.791 174.130 174.900 0.035 0.000 1.125 254 G CA -0.344 44.787 45.100 0.053 0.000 0.885 254 G HN 0.333 nan 8.290 nan 0.000 0.467 255 V N 2.982 122.921 119.914 0.041 0.000 2.326 255 V HA 0.284 4.403 4.120 -0.001 0.000 0.281 255 V C 0.093 176.204 176.094 0.028 0.000 1.015 255 V CA -0.720 61.593 62.300 0.021 0.000 0.823 255 V CB 0.963 32.811 31.823 0.042 0.000 1.009 255 V HN 0.784 nan 8.190 nan 0.000 0.436 256 E N 6.415 126.639 120.200 0.040 0.000 2.318 256 E HA 0.353 4.703 4.350 -0.001 0.000 0.265 256 E C -2.437 174.164 176.600 0.001 0.000 1.069 256 E CA -1.904 54.496 56.400 0.001 0.000 0.893 256 E CB 1.404 31.117 29.700 0.021 0.000 1.076 256 E HN 0.424 nan 8.360 nan 0.000 0.414 257 P HA 0.035 nan 4.420 nan 0.000 0.281 257 P C -0.035 177.309 177.300 0.074 0.000 1.252 257 P CA -0.031 63.039 63.100 -0.051 0.000 0.778 257 P CB 1.150 32.712 31.700 -0.231 0.000 0.895 258 G N 2.096 110.978 108.800 0.136 0.000 2.986 258 G HA2 0.293 4.253 3.960 -0.001 0.000 0.213 258 G HA3 0.293 4.253 3.960 -0.001 0.000 0.213 258 G C 0.937 175.935 174.900 0.162 0.000 1.156 258 G CA 0.506 45.669 45.100 0.105 0.000 0.763 258 G HN 0.810 nan 8.290 nan 0.000 0.547 259 G N 0.803 109.688 108.800 0.141 0.000 2.622 259 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.307 259 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.307 259 G C 0.757 175.783 174.900 0.209 0.000 1.226 259 G CA 0.775 45.950 45.100 0.125 0.000 0.997 259 G HN 0.563 nan 8.290 nan 0.000 0.551 260 H N 1.771 121.022 119.070 0.301 0.000 2.551 260 H HA 0.418 4.973 4.556 -0.000 0.000 0.266 260 H C 1.306 176.698 175.328 0.106 0.000 0.977 260 H CA 0.494 56.642 56.048 0.165 0.000 1.163 260 H CB 0.136 29.948 29.762 0.083 0.000 1.381 260 H HN 1.436 nan 8.280 nan 0.000 0.581 261 G N 0.179 109.108 108.800 0.215 0.000 2.634 261 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.568 261 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.568 261 G C 0.214 175.173 174.900 0.099 0.000 1.495 261 G CA -0.695 44.477 45.100 0.120 0.000 0.903 261 G HN -0.008 nan 8.290 nan 0.000 0.646 262 I N 1.622 122.175 120.570 -0.028 0.000 2.113 262 I HA -0.212 3.958 4.170 -0.001 0.000 0.242 262 I C 2.887 179.003 176.117 -0.002 0.000 1.064 262 I CA 2.483 63.683 61.300 -0.167 0.000 1.320 262 I CB -0.793 36.888 38.000 -0.532 0.000 1.028 262 I HN 0.868 nan 8.210 nan 0.000 0.406 263 E N 1.152 121.339 120.200 -0.021 0.000 2.333 263 E HA -0.209 4.140 4.350 -0.001 0.000 0.198 263 E C 1.756 178.382 176.600 0.043 0.000 1.007 263 E CA 1.738 58.143 56.400 0.009 0.000 0.845 263 E CB -1.142 28.559 29.700 0.001 0.000 0.766 263 E HN 0.635 nan 8.360 nan 0.000 0.507 264 T N -3.392 111.205 114.554 0.072 0.000 3.088 264 T HA 0.281 4.631 4.350 -0.001 0.000 0.259 264 T C 1.656 176.391 174.700 0.059 0.000 1.122 264 T CA 1.175 63.315 62.100 0.067 0.000 1.095 264 T CB -0.171 68.755 68.868 0.097 0.000 0.930 264 T HN 0.391 nan 8.240 nan 0.000 0.508 265 G N 1.342 110.200 108.800 0.096 0.000 2.304 265 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.252 265 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.252 265 G C 0.030 174.843 174.900 -0.145 0.000 1.014 265 G CA 0.171 45.272 45.100 0.002 0.000 0.619 265 G HN 0.634 nan 8.290 nan 0.000 0.525 266 E N 1.582 121.771 120.200 -0.017 0.000 1.861 266 E HA 0.508 4.858 4.350 -0.001 0.000 0.263 266 E C 0.383 177.048 176.600 0.108 0.000 1.137 266 E CA 0.074 56.460 56.400 -0.023 0.000 0.944 266 E CB 0.031 29.718 29.700 -0.022 0.000 1.092 266 E HN 0.886 nan 8.360 nan 0.000 0.420 267 H N -1.406 117.716 119.070 0.087 0.000 2.928 267 H HA 0.660 5.216 4.556 -0.001 0.000 0.285 267 H C 0.056 175.395 175.328 0.018 0.000 1.438 267 H CA -1.339 54.745 56.048 0.059 0.000 1.176 267 H CB 0.930 30.709 29.762 0.028 0.000 1.864 267 H HN 0.148 nan 8.280 nan 0.000 0.567 268 G N -1.056 107.914 108.800 0.283 0.000 4.885 268 G HA2 0.535 4.495 3.960 -0.001 0.000 0.263 268 G HA3 0.535 4.495 3.960 -0.001 0.000 0.263 268 G C -0.560 174.441 174.900 0.169 0.000 1.168 268 G CA -0.003 45.185 45.100 0.147 0.000 0.906 268 G HN 0.844 nan 8.290 nan 0.000 0.575 269 A N 1.775 124.797 122.820 0.336 0.000 3.150 269 A HA 0.660 4.980 4.320 -0.001 0.000 0.328 269 A C -0.969 176.696 177.584 0.135 0.000 1.104 269 A CA -1.238 50.879 52.037 0.135 0.000 0.937 269 A CB 0.924 19.964 19.000 0.067 0.000 1.073 269 A HN 0.186 nan 8.150 nan 0.000 0.497 270 P HA -0.155 nan 4.420 nan 0.000 0.219 270 P C 1.644 178.911 177.300 -0.055 0.000 1.150 270 P CA 0.472 63.584 63.100 0.020 0.000 0.814 270 P CB 0.286 31.957 31.700 -0.048 0.000 0.787 271 L N -0.460 120.692 121.223 -0.118 0.000 2.012 271 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 271 L C 2.253 179.001 176.870 -0.204 0.000 1.073 271 L CA 1.867 56.581 54.840 -0.210 0.000 0.748 271 L CB -0.250 41.603 42.059 -0.344 0.000 0.891 271 L HN -0.108 nan 8.230 nan 0.000 0.431 272 K N -1.713 118.542 120.400 -0.241 0.000 2.334 272 K HA 0.104 4.424 4.320 -0.001 0.000 0.195 272 K C 0.803 177.020 176.600 -0.639 0.000 1.045 272 K CA 0.574 56.608 56.287 -0.422 0.000 1.004 272 K CB 0.260 32.455 32.500 -0.508 0.000 0.837 272 K HN 0.468 nan 8.250 nan 0.000 0.510 273 H N -0.709 118.341 119.070 -0.033 0.000 2.649 273 H HA 0.313 4.869 4.556 -0.001 0.000 0.258 273 H C 0.682 176.052 175.328 0.068 0.000 1.165 273 H CA -0.068 55.980 56.048 -0.001 0.000 1.006 273 H CB 0.911 30.612 29.762 -0.103 0.000 1.743 273 H HN 0.077 nan 8.280 nan 0.000 0.609 274 G N 0.319 109.168 108.800 0.082 0.000 2.971 274 G HA2 0.558 4.518 3.960 -0.001 0.000 0.235 274 G HA3 0.558 4.518 3.960 -0.001 0.000 0.235 274 G C -0.709 174.212 174.900 0.034 0.000 1.351 274 G CA -0.756 44.380 45.100 0.061 0.000 1.039 274 G HN 0.161 nan 8.290 nan 0.000 0.563 275 R N -1.075 119.438 120.500 0.022 0.000 2.621 275 R HA 0.493 4.833 4.340 -0.001 0.000 0.284 275 R C -1.014 175.311 176.300 0.043 0.000 0.998 275 R CA -0.579 55.540 56.100 0.032 0.000 0.895 275 R CB 2.164 32.479 30.300 0.025 0.000 1.195 275 R HN 0.359 nan 8.270 nan 0.000 0.450 276 V N 3.473 123.435 119.914 0.079 0.000 2.599 276 V HA 0.408 4.528 4.120 -0.001 0.000 0.300 276 V C 0.919 177.056 176.094 0.071 0.000 1.034 276 V CA 0.923 63.293 62.300 0.118 0.000 1.115 276 V CB 0.718 32.648 31.823 0.179 0.000 0.934 276 V HN 0.967 nan 8.190 nan 0.000 0.485 277 G N 4.146 112.989 108.800 0.072 0.000 2.749 277 G HA2 0.720 4.679 3.960 -0.001 0.000 0.300 277 G HA3 0.720 4.679 3.960 -0.001 0.000 0.300 277 G C -1.472 173.442 174.900 0.024 0.000 1.352 277 G CA -0.847 44.273 45.100 0.033 0.000 0.789 277 G HN 0.542 nan 8.290 nan 0.000 0.509 278 I N 0.967 121.529 120.570 -0.012 0.000 2.410 278 I HA 0.518 4.688 4.170 -0.001 0.000 0.286 278 I C -1.192 174.991 176.117 0.110 0.000 1.009 278 I CA -0.689 60.565 61.300 -0.078 0.000 1.111 278 I CB 1.692 39.498 38.000 -0.323 0.000 1.262 278 I HN 0.632 nan 8.210 nan 0.000 0.443 279 Y N 7.157 127.475 120.300 0.031 0.000 2.604 279 Y HA 0.364 4.913 4.550 -0.000 0.000 0.331 279 Y C -0.301 175.761 175.900 0.269 0.000 1.158 279 Y CA -1.190 56.978 58.100 0.114 0.000 1.056 279 Y CB 1.042 39.541 38.460 0.064 0.000 1.330 279 Y HN 0.462 nan 8.280 nan 0.000 0.457 280 F N 4.208 123.703 119.950 -0.758 0.000 3.091 280 F HA -0.127 4.399 4.527 -0.000 0.000 0.288 280 F C 1.014 176.709 175.800 -0.174 0.000 0.907 280 F CA 2.024 59.639 58.000 -0.640 0.000 1.028 280 F CB -1.050 37.364 39.000 -0.977 0.000 1.022 280 F HN 1.677 nan 8.300 nan 0.000 0.665 281 G N 1.111 109.902 108.800 -0.016 0.000 2.153 281 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.252 281 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.252 281 G C 0.206 175.183 174.900 0.129 0.000 0.994 281 G CA 0.779 45.900 45.100 0.034 0.000 0.698 281 G HN 1.574 nan 8.290 nan 0.000 0.521 282 M N -2.582 117.116 119.600 0.164 0.000 2.644 282 M HA 0.751 5.230 4.480 -0.001 0.000 0.273 282 M C -0.956 175.448 176.300 0.173 0.000 1.253 282 M CA -1.245 54.197 55.300 0.236 0.000 0.852 282 M CB 1.744 34.437 32.600 0.156 0.000 1.708 282 M HN 0.001 nan 8.290 nan 0.000 0.471 283 K N 1.613 122.149 120.400 0.225 0.000 2.293 283 K HA 0.851 5.171 4.320 -0.001 0.000 0.267 283 K C -1.618 175.188 176.600 0.344 0.000 1.010 283 K CA -0.149 56.244 56.287 0.175 0.000 0.875 283 K CB 1.316 33.938 32.500 0.204 0.000 1.106 283 K HN 0.891 nan 8.250 nan 0.000 0.450 284 A N 4.789 127.787 122.820 0.297 0.000 2.564 284 A HA 0.530 4.850 4.320 -0.001 0.000 0.291 284 A C -2.986 174.700 177.584 0.171 0.000 1.102 284 A CA -1.370 50.845 52.037 0.296 0.000 0.660 284 A CB 1.225 20.346 19.000 0.201 0.000 1.283 284 A HN 0.528 nan 8.150 nan 0.000 0.430 285 P HA 0.423 nan 4.420 nan 0.000 0.265 285 P C -0.674 176.619 177.300 -0.013 0.000 1.193 285 P CA 0.751 63.854 63.100 0.005 0.000 0.765 285 P CB 0.321 31.964 31.700 -0.096 0.000 0.823 286 M N 2.028 121.615 119.600 -0.022 0.000 2.569 286 M HA 0.409 4.889 4.480 -0.001 0.000 0.279 286 M C -0.533 175.713 176.300 -0.090 0.000 1.253 286 M CA -0.578 54.671 55.300 -0.086 0.000 0.867 286 M CB 2.319 34.866 32.600 -0.089 0.000 1.727 286 M HN 0.129 nan 8.290 nan 0.000 0.467 287 M N 3.163 122.675 119.600 -0.146 0.000 2.111 287 M HA 0.308 4.788 4.480 -0.001 0.000 0.351 287 M C -0.782 175.430 176.300 -0.147 0.000 1.214 287 M CA -0.203 55.027 55.300 -0.116 0.000 1.120 287 M CB 0.445 32.967 32.600 -0.129 0.000 1.443 287 M HN 0.556 nan 8.290 nan 0.000 0.429 288 Q N 1.453 121.194 119.800 -0.100 0.000 2.495 288 Q HA 0.670 5.010 4.340 -0.001 0.000 0.287 288 Q C -0.531 175.431 176.000 -0.062 0.000 1.078 288 Q CA -1.135 54.610 55.803 -0.098 0.000 0.793 288 Q CB 1.372 30.057 28.738 -0.089 0.000 1.459 288 Q HN 0.568 nan 8.270 nan 0.000 0.422 289 T N -2.104 112.415 114.554 -0.058 0.000 2.766 289 T HA 0.407 4.757 4.350 -0.001 0.000 0.295 289 T C 1.205 175.890 174.700 -0.025 0.000 1.024 289 T CA -0.061 62.015 62.100 -0.039 0.000 1.018 289 T CB 0.902 69.748 68.868 -0.037 0.000 1.002 289 T HN 0.774 nan 8.240 nan 0.000 0.532 290 A N 0.295 123.105 122.820 -0.016 0.000 2.076 290 A HA -0.063 4.257 4.320 -0.001 0.000 0.220 290 A C 1.973 179.552 177.584 -0.008 0.000 1.160 290 A CA 1.607 53.639 52.037 -0.008 0.000 0.653 290 A CB -0.946 18.051 19.000 -0.004 0.000 0.801 290 A HN 0.889 nan 8.150 nan 0.000 0.455 291 D N -1.746 118.647 120.400 -0.012 0.000 2.277 291 D HA 0.205 4.845 4.640 -0.001 0.000 0.208 291 D C 1.344 177.638 176.300 -0.011 0.000 0.962 291 D CA 1.431 55.425 54.000 -0.010 0.000 0.865 291 D CB 0.111 40.904 40.800 -0.011 0.000 0.939 291 D HN 0.574 nan 8.370 nan 0.000 0.510 292 G N 0.016 108.805 108.800 -0.018 0.000 2.143 292 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.175 292 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.175 292 G C -0.169 174.713 174.900 -0.029 0.000 1.004 292 G CA -0.474 44.615 45.100 -0.019 0.000 0.671 292 G HN 0.155 nan 8.290 nan 0.000 0.512 293 Q N 0.907 120.683 119.800 -0.039 0.000 2.331 293 Q HA 0.405 4.745 4.340 -0.001 0.000 0.257 293 Q C 0.875 176.822 176.000 -0.089 0.000 0.957 293 Q CA -0.672 55.101 55.803 -0.051 0.000 0.923 293 Q CB 1.526 30.240 28.738 -0.040 0.000 1.212 293 Q HN 0.378 nan 8.270 nan 0.000 0.443 294 I N 2.504 122.997 120.570 -0.129 0.000 2.826 294 I HA -0.113 4.056 4.170 -0.001 0.000 0.295 294 I C 1.105 177.108 176.117 -0.189 0.000 1.213 294 I CA 0.893 62.057 61.300 -0.226 0.000 1.436 294 I CB -0.312 37.455 38.000 -0.389 0.000 1.348 294 I HN 0.492 nan 8.210 nan 0.000 0.570 295 E N 5.305 125.390 120.200 -0.191 0.000 2.446 295 E HA 0.443 4.792 4.350 -0.001 0.000 0.251 295 E C -0.558 175.942 176.600 -0.166 0.000 1.087 295 E CA -0.856 55.454 56.400 -0.150 0.000 0.937 295 E CB 1.089 30.713 29.700 -0.127 0.000 1.254 295 E HN 0.493 nan 8.360 nan 0.000 0.479 296 E N 0.277 120.403 120.200 -0.123 0.000 2.214 296 E HA 0.343 4.693 4.350 -0.001 0.000 0.274 296 E C -1.114 175.428 176.600 -0.097 0.000 0.977 296 E CA -0.466 55.873 56.400 -0.102 0.000 0.827 296 E CB 1.776 31.443 29.700 -0.054 0.000 1.130 296 E HN 0.150 nan 8.360 nan 0.000 0.394 297 S N 1.575 117.227 115.700 -0.080 0.000 2.437 297 S HA 0.238 4.708 4.470 -0.001 0.000 0.305 297 S C -1.204 173.392 174.600 -0.006 0.000 1.109 297 S CA -0.577 57.585 58.200 -0.064 0.000 1.099 297 S CB 0.356 63.514 63.200 -0.070 0.000 1.004 297 S HN 0.389 nan 8.310 nan 0.000 0.475 298 Y N 2.364 122.598 120.300 -0.109 0.000 2.387 298 Y HA 0.697 5.247 4.550 -0.001 0.000 0.330 298 Y C 0.007 175.854 175.900 -0.089 0.000 1.133 298 Y CA -0.289 57.746 58.100 -0.108 0.000 1.152 298 Y CB 1.350 39.714 38.460 -0.161 0.000 1.215 298 Y HN 0.620 nan 8.280 nan 0.000 0.466 299 S N 5.912 120.819 115.700 -1.323 0.000 2.580 299 S HA 0.236 4.706 4.470 -0.001 0.000 0.281 299 S C -0.064 174.012 174.600 -0.873 0.000 1.129 299 S CA -0.777 56.877 58.200 -0.911 0.000 0.862 299 S CB 0.722 63.698 63.200 -0.373 0.000 1.090 299 S HN 0.862 nan 8.310 nan 0.000 0.451 300 I N 3.179 123.477 120.570 -0.454 0.000 2.423 300 I HA -0.001 4.168 4.170 -0.001 0.000 0.254 300 I C 0.855 176.913 176.117 -0.099 0.000 1.151 300 I CA 1.708 62.904 61.300 -0.174 0.000 1.421 300 I CB -0.761 37.230 38.000 -0.015 0.000 1.079 300 I HN 0.751 nan 8.210 nan 0.000 0.431 301 S N 0.226 115.883 115.700 -0.072 0.000 2.420 301 S HA 0.551 5.021 4.470 -0.001 0.000 0.313 301 S C 1.098 175.651 174.600 -0.079 0.000 1.079 301 S CA -0.170 58.014 58.200 -0.027 0.000 1.104 301 S CB 1.615 64.846 63.200 0.052 0.000 0.969 301 S HN 0.287 nan 8.310 nan 0.000 0.471 302 A N 4.073 126.865 122.820 -0.046 0.000 2.024 302 A HA 0.086 4.406 4.320 -0.001 0.000 0.220 302 A C 2.104 179.675 177.584 -0.022 0.000 1.164 302 A CA 1.609 53.625 52.037 -0.035 0.000 0.643 302 A CB -1.413 17.588 19.000 0.000 0.000 0.806 302 A HN 1.154 nan 8.150 nan 0.000 0.451 303 G N -0.788 108.005 108.800 -0.010 0.000 2.535 303 G HA2 0.036 3.996 3.960 -0.001 0.000 0.218 303 G HA3 0.036 3.996 3.960 -0.001 0.000 0.218 303 G C 0.974 175.862 174.900 -0.020 0.000 1.122 303 G CA 0.761 45.861 45.100 -0.001 0.000 0.769 303 G HN 0.479 nan 8.290 nan 0.000 0.549 304 L N -0.013 121.175 121.223 -0.059 0.000 3.062 304 L HA 0.322 4.662 4.340 -0.001 0.000 0.255 304 L C 0.714 177.556 176.870 -0.046 0.000 1.274 304 L CA -0.172 54.622 54.840 -0.076 0.000 1.047 304 L CB 0.805 42.746 42.059 -0.197 0.000 1.402 304 L HN -0.052 nan 8.230 nan 0.000 0.550 305 D N 0.139 120.534 120.400 -0.008 0.000 2.349 305 D HA -0.041 4.598 4.640 -0.001 0.000 0.224 305 D C 0.462 176.811 176.300 0.081 0.000 1.029 305 D CA 0.102 54.104 54.000 0.004 0.000 0.879 305 D CB 0.223 41.023 40.800 -0.000 0.000 0.906 305 D HN 0.064 nan 8.370 nan 0.000 0.528 306 F N 2.057 121.973 119.950 -0.056 0.000 2.557 306 F HA 0.131 4.658 4.527 -0.001 0.000 0.384 306 F C -1.381 174.402 175.800 -0.028 0.000 1.057 306 F CA -2.476 55.503 58.000 -0.034 0.000 1.169 306 F CB 0.866 39.854 39.000 -0.020 0.000 1.070 306 F HN 0.013 nan 8.300 nan 0.000 0.554 307 P HA -0.065 nan 4.420 nan 0.000 0.239 307 P C 0.154 177.122 177.300 -0.553 0.000 1.184 307 P CA 0.660 63.499 63.100 -0.435 0.000 0.760 307 P CB 0.431 31.878 31.700 -0.421 0.000 0.884 308 S N -1.681 113.442 115.700 -0.960 0.000 2.971 308 S HA 0.667 5.136 4.470 -0.001 0.000 0.320 308 S C -1.283 173.194 174.600 -0.206 0.000 1.111 308 S CA -0.646 57.220 58.200 -0.557 0.000 0.870 308 S CB 1.430 64.391 63.200 -0.399 0.000 1.331 308 S HN -0.119 nan 8.310 nan 0.000 0.635 309 V N 0.165 120.138 119.914 0.099 0.000 3.147 309 V HA 0.705 4.825 4.120 -0.001 0.000 0.299 309 V C 0.110 176.339 176.094 0.225 0.000 1.302 309 V CA 0.006 62.430 62.300 0.206 0.000 1.015 309 V CB 1.370 33.176 31.823 -0.027 0.000 1.086 309 V HN 1.159 nan 8.190 nan 0.000 0.437 310 G N 4.551 113.475 108.800 0.206 0.000 2.414 310 G HA2 0.314 4.274 3.960 -0.001 0.000 0.236 310 G HA3 0.314 4.274 3.960 -0.001 0.000 0.236 310 G C -1.225 173.708 174.900 0.055 0.000 1.293 310 G CA -0.001 45.195 45.100 0.159 0.000 0.869 310 G HN 0.695 nan 8.290 nan 0.000 0.556 311 P HA -0.190 nan 4.420 nan 0.000 0.217 311 P C 1.439 178.664 177.300 -0.125 0.000 1.150 311 P CA 1.171 64.307 63.100 0.061 0.000 0.832 311 P CB 0.243 32.111 31.700 0.279 0.000 0.787 312 Q N -0.964 118.487 119.800 -0.582 0.000 2.124 312 Q HA -0.194 4.146 4.340 -0.001 0.000 0.202 312 Q C 2.370 178.221 176.000 -0.248 0.000 0.977 312 Q CA 1.288 56.632 55.803 -0.765 0.000 0.850 312 Q CB -0.352 27.706 28.738 -1.134 0.000 0.901 312 Q HN 0.364 nan 8.270 nan 0.000 0.429 313 H N -0.662 118.323 119.070 -0.142 0.000 2.357 313 H HA -0.048 4.508 4.556 -0.001 0.000 0.301 313 H C 1.981 177.140 175.328 -0.281 0.000 1.082 313 H CA 1.325 57.313 56.048 -0.100 0.000 1.342 313 H CB -0.162 29.491 29.762 -0.182 0.000 1.389 313 H HN 0.449 nan 8.280 nan 0.000 0.511 314 A N 0.958 123.592 122.820 -0.310 0.000 1.908 314 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 314 A C 2.313 179.626 177.584 -0.451 0.000 1.181 314 A CA 1.732 53.351 52.037 -0.696 0.000 0.627 314 A CB -1.040 17.093 19.000 -1.445 0.000 0.818 314 A HN 0.478 nan 8.150 nan 0.000 0.445 315 Y N 0.466 120.671 120.300 -0.159 0.000 2.163 315 Y HA -0.115 4.434 4.550 -0.000 0.000 0.288 315 Y C 1.949 177.960 175.900 0.184 0.000 1.136 315 Y CA 1.724 59.983 58.100 0.265 0.000 1.147 315 Y CB -0.406 38.302 38.460 0.413 0.000 0.987 315 Y HN 0.202 nan 8.280 nan 0.000 0.509 316 L N 0.341 121.564 121.223 -0.000 0.000 2.127 316 L HA -0.246 4.094 4.340 -0.001 0.000 0.211 316 L C 2.248 179.131 176.870 0.022 0.000 1.089 316 L CA 1.787 56.611 54.840 -0.027 0.000 0.757 316 L CB -0.688 41.469 42.059 0.165 0.000 0.899 316 L HN 0.314 nan 8.230 nan 0.000 0.434 317 N N -0.114 118.651 118.700 0.108 0.000 2.171 317 N HA -0.184 4.555 4.740 -0.001 0.000 0.184 317 N C 2.064 177.594 175.510 0.034 0.000 1.021 317 N CA 1.507 54.645 53.050 0.146 0.000 0.854 317 N CB -0.048 38.479 38.487 0.067 0.000 0.994 317 N HN 0.300 nan 8.380 nan 0.000 0.426 318 S N 0.677 116.384 115.700 0.012 0.000 2.383 318 S HA -0.184 4.286 4.470 -0.001 0.000 0.229 318 S C 1.982 176.574 174.600 -0.014 0.000 1.030 318 S CA 1.380 59.616 58.200 0.061 0.000 1.002 318 S CB -1.013 62.328 63.200 0.235 0.000 0.829 318 S HN 0.590 nan 8.310 nan 0.000 0.467 319 I N -2.384 118.107 120.570 -0.132 0.000 3.793 319 I HA 0.494 4.664 4.170 -0.001 0.000 0.315 319 I C 1.488 177.562 176.117 -0.072 0.000 1.275 319 I CA 0.284 61.510 61.300 -0.124 0.000 1.214 319 I CB -0.742 37.112 38.000 -0.243 0.000 1.018 319 I HN 0.432 nan 8.210 nan 0.000 0.439 320 G N 2.484 111.255 108.800 -0.049 0.000 2.143 320 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.248 320 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.248 320 G C 0.918 175.789 174.900 -0.048 0.000 0.991 320 G CA 0.616 45.697 45.100 -0.031 0.000 0.689 320 G HN 0.515 nan 8.290 nan 0.000 0.522 321 R N 0.543 121.006 120.500 -0.062 0.000 2.093 321 R HA 0.565 4.905 4.340 -0.001 0.000 0.224 321 R C 1.422 177.654 176.300 -0.114 0.000 1.101 321 R CA 2.137 58.195 56.100 -0.070 0.000 0.979 321 R CB -0.260 30.009 30.300 -0.052 0.000 0.877 321 R HN 1.122 nan 8.270 nan 0.000 0.441 322 A N 0.111 122.878 122.820 -0.090 0.000 2.355 322 A HA 0.571 4.891 4.320 -0.001 0.000 0.324 322 A C -1.433 176.018 177.584 -0.221 0.000 1.117 322 A CA -0.835 51.067 52.037 -0.225 0.000 0.785 322 A CB 1.055 19.969 19.000 -0.144 0.000 1.254 322 A HN 0.290 nan 8.150 nan 0.000 0.453 323 D N 0.236 120.376 120.400 -0.433 0.000 2.350 323 D HA 0.544 5.184 4.640 -0.001 0.000 0.245 323 D C -1.506 174.420 176.300 -0.623 0.000 1.036 323 D CA 0.432 54.240 54.000 -0.319 0.000 0.848 323 D CB 1.523 42.206 40.800 -0.195 0.000 1.307 323 D HN 0.419 nan 8.370 nan 0.000 0.469 324 Y N -0.116 120.151 120.300 -0.055 0.000 2.446 324 Y HA 0.469 5.019 4.550 -0.000 0.000 0.345 324 Y C 0.443 176.284 175.900 -0.098 0.000 0.984 324 Y CA -0.921 57.139 58.100 -0.066 0.000 1.058 324 Y CB 1.942 40.370 38.460 -0.052 0.000 1.220 324 Y HN 0.141 nan 8.280 nan 0.000 0.455 325 V N -1.145 118.752 119.914 -0.027 0.000 3.167 325 V HA 0.954 5.074 4.120 -0.001 0.000 0.310 325 V C -0.664 175.435 176.094 0.008 0.000 1.207 325 V CA -1.065 61.203 62.300 -0.053 0.000 1.059 325 V CB 1.742 33.416 31.823 -0.247 0.000 1.079 325 V HN 0.774 nan 8.190 nan 0.000 0.446 326 S N 1.007 116.739 115.700 0.053 0.000 2.568 326 S HA 0.882 5.351 4.470 -0.001 0.000 0.293 326 S C -1.106 173.562 174.600 0.112 0.000 1.089 326 S CA -0.741 57.509 58.200 0.083 0.000 0.945 326 S CB 1.916 65.161 63.200 0.076 0.000 1.077 326 S HN 0.875 nan 8.310 nan 0.000 0.485 327 I N 2.697 123.363 120.570 0.161 0.000 2.533 327 I HA 0.370 4.540 4.170 -0.001 0.000 0.290 327 I C 0.787 177.003 176.117 0.166 0.000 1.056 327 I CA -0.188 61.209 61.300 0.162 0.000 1.057 327 I CB 1.989 40.097 38.000 0.180 0.000 1.240 327 I HN 1.065 nan 8.210 nan 0.000 0.423 328 T N 0.817 115.425 114.554 0.091 0.000 2.754 328 T HA 0.193 4.542 4.350 -0.001 0.000 0.286 328 T C 0.891 175.610 174.700 0.032 0.000 0.997 328 T CA -0.420 61.736 62.100 0.093 0.000 0.982 328 T CB 1.186 70.107 68.868 0.089 0.000 1.027 328 T HN 0.461 nan 8.240 nan 0.000 0.529 329 D N 0.461 120.909 120.400 0.080 0.000 2.117 329 D HA -0.093 4.546 4.640 -0.001 0.000 0.197 329 D C 1.703 178.002 176.300 -0.002 0.000 0.987 329 D CA 1.229 55.250 54.000 0.035 0.000 0.829 329 D CB -0.325 40.552 40.800 0.129 0.000 0.961 329 D HN 0.588 nan 8.370 nan 0.000 0.460 330 D N 0.799 121.223 120.400 0.041 0.000 2.117 330 D HA -0.113 4.526 4.640 -0.001 0.000 0.197 330 D C 1.982 178.283 176.300 0.002 0.000 0.987 330 D CA 0.760 54.776 54.000 0.027 0.000 0.829 330 D CB -0.195 40.631 40.800 0.042 0.000 0.961 330 D HN 0.400 nan 8.370 nan 0.000 0.460 331 E N 0.606 120.800 120.200 -0.009 0.000 2.072 331 E HA -0.087 4.263 4.350 -0.001 0.000 0.191 331 E C 2.130 178.695 176.600 -0.058 0.000 0.985 331 E CA 0.945 57.334 56.400 -0.017 0.000 0.801 331 E CB -0.041 29.658 29.700 -0.001 0.000 0.750 331 E HN 0.182 nan 8.360 nan 0.000 0.452 332 A N 1.309 124.027 122.820 -0.169 0.000 1.877 332 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 332 A C 2.213 179.756 177.584 -0.069 0.000 1.186 332 A CA 1.084 52.963 52.037 -0.263 0.000 0.620 332 A CB -0.717 17.814 19.000 -0.783 0.000 0.822 332 A HN 0.133 nan 8.150 nan 0.000 0.443 333 L N -0.607 120.584 121.223 -0.053 0.000 2.042 333 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 333 L C 2.791 179.717 176.870 0.094 0.000 1.076 333 L CA 1.765 56.607 54.840 0.003 0.000 0.749 333 L CB -0.467 41.578 42.059 -0.024 0.000 0.893 333 L HN 0.514 nan 8.230 nan 0.000 0.432 334 E N 0.536 120.771 120.200 0.058 0.000 2.110 334 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 334 E C 2.117 178.769 176.600 0.087 0.000 0.988 334 E CA 1.412 57.854 56.400 0.070 0.000 0.804 334 E CB 0.111 29.835 29.700 0.040 0.000 0.745 334 E HN 0.452 nan 8.360 nan 0.000 0.458 335 A N 0.460 123.325 122.820 0.074 0.000 1.930 335 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 335 A C 2.044 179.686 177.584 0.097 0.000 1.175 335 A CA 1.100 53.177 52.037 0.066 0.000 0.627 335 A CB -0.855 18.171 19.000 0.043 0.000 0.815 335 A HN 0.410 nan 8.150 nan 0.000 0.443 336 F N 0.934 120.879 119.950 -0.010 0.000 2.102 336 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 336 F C 2.106 177.906 175.800 -0.000 0.000 1.105 336 F CA 2.228 60.226 58.000 -0.003 0.000 1.239 336 F CB -0.174 38.821 39.000 -0.008 0.000 0.991 336 F HN 0.126 nan 8.300 nan 0.000 0.474 337 K N -0.639 119.931 120.400 0.283 0.000 2.097 337 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 337 K C 1.958 178.583 176.600 0.042 0.000 1.050 337 K CA 1.814 58.196 56.287 0.158 0.000 0.938 337 K CB -0.555 32.042 32.500 0.163 0.000 0.718 337 K HN 0.231 nan 8.250 nan 0.000 0.442 338 T N 1.765 116.365 114.554 0.076 0.000 2.788 338 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 338 T C 1.701 176.467 174.700 0.111 0.000 1.044 338 T CA 0.933 63.118 62.100 0.142 0.000 1.139 338 T CB -0.127 68.812 68.868 0.119 0.000 0.867 338 T HN 0.063 nan 8.240 nan 0.000 0.454 339 L N 0.537 121.755 121.223 -0.008 0.000 2.156 339 L HA 0.040 4.380 4.340 -0.001 0.000 0.208 339 L C 2.418 179.225 176.870 -0.105 0.000 1.095 339 L CA 1.306 56.116 54.840 -0.050 0.000 0.770 339 L CB -0.646 41.351 42.059 -0.102 0.000 0.914 339 L HN 0.295 nan 8.230 nan 0.000 0.439 340 C N -0.396 118.795 119.300 -0.181 0.000 2.429 340 C HA -0.121 4.339 4.460 -0.001 0.000 0.277 340 C C 2.768 177.667 174.990 -0.151 0.000 1.262 340 C CA 0.871 59.772 59.018 -0.195 0.000 1.733 340 C CB -1.008 26.594 27.740 -0.230 0.000 2.010 340 C HN 0.490 nan 8.230 nan 0.000 0.483 341 R N -0.734 119.661 120.500 -0.176 0.000 2.161 341 R HA 0.002 4.342 4.340 -0.001 0.000 0.213 341 R C 1.811 177.873 176.300 -0.396 0.000 1.055 341 R CA 0.768 56.693 56.100 -0.292 0.000 0.996 341 R CB -0.261 29.809 30.300 -0.384 0.000 0.901 341 R HN 0.681 nan 8.270 nan 0.000 0.456 342 H N -0.455 118.582 119.070 -0.055 0.000 2.595 342 H HA 0.178 4.734 4.556 -0.001 0.000 0.265 342 H C 0.860 176.154 175.328 -0.056 0.000 0.953 342 H CA 0.576 56.594 56.048 -0.050 0.000 1.197 342 H CB 0.986 30.719 29.762 -0.047 0.000 1.438 342 H HN 0.127 nan 8.280 nan 0.000 0.531 343 E N -0.615 119.594 120.200 0.015 0.000 2.639 343 E HA 0.145 4.495 4.350 -0.001 0.000 0.225 343 E C 1.192 177.766 176.600 -0.044 0.000 0.921 343 E CA 0.484 56.876 56.400 -0.014 0.000 1.184 343 E CB 1.245 30.934 29.700 -0.019 0.000 1.160 343 E HN 0.434 nan 8.360 nan 0.000 0.547 344 G N 2.255 111.015 108.800 -0.067 0.000 2.160 344 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.251 344 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.251 344 G C 0.229 175.080 174.900 -0.082 0.000 1.008 344 G CA 0.602 45.657 45.100 -0.075 0.000 0.724 344 G HN 0.245 nan 8.290 nan 0.000 0.514 345 I N 0.346 120.857 120.570 -0.098 0.000 2.433 345 I HA 0.457 4.627 4.170 -0.001 0.000 0.292 345 I C 0.355 176.364 176.117 -0.180 0.000 1.001 345 I CA -1.103 60.134 61.300 -0.106 0.000 1.119 345 I CB 1.818 39.772 38.000 -0.076 0.000 1.289 345 I HN -0.079 nan 8.210 nan 0.000 0.438 346 I N 8.309 128.766 120.570 -0.188 0.000 2.307 346 I HA 0.271 4.440 4.170 -0.001 0.000 0.287 346 I C -2.122 173.860 176.117 -0.226 0.000 1.054 346 I CA -1.688 59.426 61.300 -0.309 0.000 1.218 346 I CB 0.743 38.616 38.000 -0.211 0.000 1.398 346 I HN 0.252 nan 8.210 nan 0.000 0.475 347 P HA 0.247 nan 4.420 nan 0.000 0.279 347 P C -0.510 176.841 177.300 0.086 0.000 1.252 347 P CA -0.416 62.639 63.100 -0.075 0.000 0.811 347 P CB 1.399 33.061 31.700 -0.063 0.000 1.035 348 A N 2.256 125.156 122.820 0.134 0.000 2.407 348 A HA 0.149 4.469 4.320 -0.001 0.000 0.248 348 A C 1.740 179.476 177.584 0.254 0.000 1.082 348 A CA -0.400 51.754 52.037 0.195 0.000 0.785 348 A CB -0.640 18.441 19.000 0.135 0.000 1.020 348 A HN 0.615 nan 8.150 nan 0.000 0.489 349 L N 0.834 122.212 121.223 0.257 0.000 2.129 349 L HA -0.240 4.100 4.340 -0.001 0.000 0.212 349 L C 2.275 179.321 176.870 0.292 0.000 1.087 349 L CA 1.748 56.727 54.840 0.230 0.000 0.757 349 L CB -0.476 41.644 42.059 0.102 0.000 0.896 349 L HN 0.850 nan 8.230 nan 0.000 0.434 350 E N -0.258 120.068 120.200 0.210 0.000 2.031 350 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 350 E C 2.297 179.012 176.600 0.192 0.000 0.994 350 E CA 1.571 58.066 56.400 0.158 0.000 0.800 350 E CB -0.198 29.541 29.700 0.065 0.000 0.752 350 E HN 0.279 nan 8.360 nan 0.000 0.447 351 S N 0.405 116.194 115.700 0.149 0.000 2.419 351 S HA -0.097 4.372 4.470 -0.001 0.000 0.233 351 S C 1.958 176.644 174.600 0.143 0.000 1.016 351 S CA 0.882 59.152 58.200 0.116 0.000 0.974 351 S CB -0.173 63.078 63.200 0.084 0.000 0.786 351 S HN 0.117 nan 8.310 nan 0.000 0.492 352 S N 0.878 116.688 115.700 0.183 0.000 2.442 352 S HA -0.087 4.383 4.470 -0.001 0.000 0.236 352 S C 1.448 176.105 174.600 0.094 0.000 1.007 352 S CA 0.948 59.232 58.200 0.140 0.000 0.965 352 S CB -0.280 63.029 63.200 0.181 0.000 0.773 352 S HN 0.604 nan 8.310 nan 0.000 0.504 353 H N 1.368 120.482 119.070 0.073 0.000 2.395 353 H HA 0.197 4.753 4.556 -0.000 0.000 0.299 353 H C 2.319 177.693 175.328 0.078 0.000 1.070 353 H CA 1.223 57.311 56.048 0.066 0.000 1.356 353 H CB -0.379 29.409 29.762 0.043 0.000 1.401 353 H HN 0.402 nan 8.280 nan 0.000 0.524 354 A N 0.615 123.551 122.820 0.192 0.000 1.873 354 A HA -0.118 4.201 4.320 -0.001 0.000 0.215 354 A C 2.249 179.910 177.584 0.129 0.000 1.186 354 A CA 1.438 53.560 52.037 0.141 0.000 0.616 354 A CB -0.805 18.252 19.000 0.095 0.000 0.823 354 A HN 0.349 nan 8.150 nan 0.000 0.442 355 L N -0.085 121.196 121.223 0.097 0.000 2.042 355 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 355 L C 2.647 179.550 176.870 0.054 0.000 1.076 355 L CA 2.202 57.080 54.840 0.063 0.000 0.749 355 L CB -0.744 41.342 42.059 0.044 0.000 0.893 355 L HN 0.355 nan 8.230 nan 0.000 0.432 356 A N -1.268 121.590 122.820 0.063 0.000 1.908 356 A HA -0.336 3.984 4.320 -0.001 0.000 0.218 356 A C 2.296 179.912 177.584 0.054 0.000 1.181 356 A CA 2.008 54.071 52.037 0.043 0.000 0.627 356 A CB -1.098 17.916 19.000 0.023 0.000 0.818 356 A HN 0.731 nan 8.150 nan 0.000 0.445 357 H N -0.291 118.796 119.070 0.029 0.000 2.389 357 H HA 0.124 4.679 4.556 -0.000 0.000 0.299 357 H C 2.161 177.496 175.328 0.012 0.000 1.081 357 H CA 1.602 57.665 56.048 0.025 0.000 1.345 357 H CB -0.233 29.550 29.762 0.035 0.000 1.393 357 H HN 0.394 nan 8.280 nan 0.000 0.520 358 A N 0.595 123.405 122.820 -0.015 0.000 1.902 358 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 358 A C 2.470 179.992 177.584 -0.103 0.000 1.181 358 A CA 1.487 53.488 52.037 -0.059 0.000 0.623 358 A CB -0.845 18.160 19.000 0.009 0.000 0.818 358 A HN 0.477 nan 8.150 nan 0.000 0.443 359 L N -0.769 120.409 121.223 -0.075 0.000 2.083 359 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 359 L C 2.639 179.448 176.870 -0.102 0.000 1.083 359 L CA 1.909 56.705 54.840 -0.074 0.000 0.752 359 L CB -0.457 41.574 42.059 -0.046 0.000 0.899 359 L HN 0.477 nan 8.230 nan 0.000 0.433 360 K N 0.462 120.776 120.400 -0.143 0.000 2.057 360 K HA -0.169 4.151 4.320 -0.001 0.000 0.206 360 K C 2.211 178.702 176.600 -0.182 0.000 1.050 360 K CA 1.341 57.534 56.287 -0.157 0.000 0.935 360 K CB -0.038 32.352 32.500 -0.185 0.000 0.715 360 K HN 0.168 nan 8.250 nan 0.000 0.439 361 M N 0.357 119.795 119.600 -0.270 0.000 2.149 361 M HA -0.212 4.268 4.480 -0.001 0.000 0.261 361 M C 2.409 178.641 176.300 -0.113 0.000 1.064 361 M CA 1.714 56.894 55.300 -0.199 0.000 1.102 361 M CB -0.210 32.270 32.600 -0.200 0.000 1.369 361 M HN 0.339 nan 8.290 nan 0.000 0.408 362 M N 0.005 119.543 119.600 -0.103 0.000 2.134 362 M HA -0.152 4.327 4.480 -0.001 0.000 0.262 362 M C 2.153 178.414 176.300 -0.066 0.000 1.076 362 M CA 1.742 56.998 55.300 -0.074 0.000 1.143 362 M CB -0.085 32.472 32.600 -0.072 0.000 1.346 362 M HN 0.061 nan 8.290 nan 0.000 0.421 363 R N 0.208 120.666 120.500 -0.069 0.000 2.096 363 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 363 R C 1.941 178.213 176.300 -0.047 0.000 1.127 363 R CA 1.816 57.883 56.100 -0.056 0.000 0.968 363 R CB -0.358 29.911 30.300 -0.053 0.000 0.861 363 R HN 0.573 nan 8.270 nan 0.000 0.440 364 E N 0.363 120.532 120.200 -0.053 0.000 2.204 364 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 364 E C 0.227 176.807 176.600 -0.034 0.000 0.989 364 E CA 0.781 57.156 56.400 -0.040 0.000 0.824 364 E CB 0.241 29.915 29.700 -0.043 0.000 0.756 364 E HN 0.387 nan 8.360 nan 0.000 0.477 365 Q N -0.073 119.703 119.800 -0.039 0.000 3.484 365 Q HA 0.118 4.458 4.340 -0.001 0.000 0.255 365 Q C -2.170 173.810 176.000 -0.033 0.000 0.909 365 Q CA -1.135 54.649 55.803 -0.032 0.000 0.774 365 Q CB 1.371 30.091 28.738 -0.030 0.000 1.431 365 Q HN 0.053 nan 8.270 nan 0.000 0.423 366 P HA -0.176 nan 4.420 nan 0.000 0.221 366 P C 0.378 177.661 177.300 -0.029 0.000 1.145 366 P CA 1.256 64.336 63.100 -0.034 0.000 0.795 366 P CB 0.552 32.233 31.700 -0.033 0.000 0.775 367 E N -0.547 119.638 120.200 -0.024 0.000 2.463 367 E HA 0.088 4.438 4.350 -0.001 0.000 0.193 367 E C 0.650 177.239 176.600 -0.019 0.000 1.041 367 E CA 0.002 56.390 56.400 -0.020 0.000 0.879 367 E CB -0.267 29.424 29.700 -0.016 0.000 0.997 367 E HN 0.238 nan 8.360 nan 0.000 0.478 368 K N 1.600 121.987 120.400 -0.022 0.000 2.276 368 K HA 0.079 4.399 4.320 -0.001 0.000 0.285 368 K C -0.382 176.206 176.600 -0.019 0.000 1.062 368 K CA -0.269 56.006 56.287 -0.020 0.000 0.918 368 K CB 0.547 33.033 32.500 -0.023 0.000 1.055 368 K HN -0.068 nan 8.250 nan 0.000 0.477 369 E N 4.906 125.097 120.200 -0.015 0.000 2.217 369 E HA -0.019 4.330 4.350 -0.001 0.000 0.279 369 E C -1.179 175.414 176.600 -0.012 0.000 1.068 369 E CA -0.122 56.271 56.400 -0.012 0.000 0.882 369 E CB 0.546 30.241 29.700 -0.008 0.000 1.039 369 E HN 0.616 nan 8.360 nan 0.000 0.418 370 Q N 3.748 123.542 119.800 -0.011 0.000 2.386 370 Q HA 0.348 4.688 4.340 -0.001 0.000 0.274 370 Q C -1.797 174.205 176.000 0.002 0.000 1.011 370 Q CA -1.087 54.710 55.803 -0.010 0.000 0.867 370 Q CB 1.113 29.840 28.738 -0.019 0.000 1.409 370 Q HN 0.480 nan 8.270 nan 0.000 0.395 371 L N 3.550 124.778 121.223 0.008 0.000 2.276 371 L HA 0.541 4.880 4.340 -0.001 0.000 0.286 371 L C -1.739 175.146 176.870 0.026 0.000 1.024 371 L CA -0.354 54.510 54.840 0.040 0.000 0.826 371 L CB 0.999 43.083 42.059 0.042 0.000 1.211 371 L HN 0.741 nan 8.230 nan 0.000 0.422 372 L N 5.242 126.496 121.223 0.052 0.000 2.322 372 L HA 0.784 5.123 4.340 -0.001 0.000 0.269 372 L C -0.868 176.054 176.870 0.086 0.000 1.012 372 L CA -1.145 53.716 54.840 0.035 0.000 0.815 372 L CB 2.158 44.229 42.059 0.020 0.000 1.295 372 L HN 0.225 nan 8.230 nan 0.000 0.438 373 V N 2.079 122.023 119.914 0.051 0.000 2.569 373 V HA 0.381 4.501 4.120 -0.001 0.000 0.301 373 V C -0.387 175.752 176.094 0.075 0.000 1.044 373 V CA -0.597 61.754 62.300 0.086 0.000 0.874 373 V CB 2.281 34.132 31.823 0.046 0.000 1.002 373 V HN 0.411 nan 8.190 nan 0.000 0.424 374 V N 4.144 124.110 119.914 0.086 0.000 2.398 374 V HA 0.347 4.467 4.120 -0.001 0.000 0.286 374 V C 0.399 176.538 176.094 0.074 0.000 1.026 374 V CA -0.591 61.755 62.300 0.077 0.000 0.868 374 V CB 1.680 33.541 31.823 0.064 0.000 0.982 374 V HN 0.922 nan 8.190 nan 0.000 0.443 375 N N 3.824 122.563 118.700 0.065 0.000 2.402 375 N HA 0.178 4.918 4.740 -0.001 0.000 0.252 375 N C -0.520 175.008 175.510 0.028 0.000 1.118 375 N CA -0.685 52.392 53.050 0.044 0.000 0.945 375 N CB 0.569 39.062 38.487 0.010 0.000 1.147 375 N HN 0.521 nan 8.380 nan 0.000 0.495 376 L N 4.767 126.013 121.223 0.039 0.000 2.395 376 L HA 0.072 4.412 4.340 -0.001 0.000 0.268 376 L C 1.629 178.523 176.870 0.040 0.000 1.223 376 L CA 0.157 55.020 54.840 0.038 0.000 1.093 376 L CB 0.005 42.085 42.059 0.036 0.000 1.349 376 L HN 0.589 nan 8.230 nan 0.000 0.427 377 S N 1.014 116.726 115.700 0.020 0.000 2.440 377 S HA 0.055 4.525 4.470 -0.001 0.000 0.240 377 S C 0.906 175.592 174.600 0.143 0.000 1.014 377 S CA 0.610 58.831 58.200 0.035 0.000 0.980 377 S CB -0.392 62.762 63.200 -0.077 0.000 0.775 377 S HN 0.695 nan 8.310 nan 0.000 0.499 378 G N 0.511 109.372 108.800 0.101 0.000 2.523 378 G HA2 0.530 4.490 3.960 -0.001 0.000 0.291 378 G HA3 0.530 4.490 3.960 -0.001 0.000 0.291 378 G C -1.375 173.564 174.900 0.066 0.000 1.450 378 G CA -1.193 43.963 45.100 0.093 0.000 0.790 378 G HN 0.488 nan 8.290 nan 0.000 0.496 379 R N -0.908 119.623 120.500 0.050 0.000 2.500 379 R HA 0.634 4.974 4.340 -0.001 0.000 0.275 379 R C 0.674 177.015 176.300 0.068 0.000 1.051 379 R CA -0.070 56.051 56.100 0.036 0.000 1.088 379 R CB 1.514 31.824 30.300 0.015 0.000 1.063 379 R HN 0.725 nan 8.270 nan 0.000 0.511 380 G N 0.548 109.396 108.800 0.079 0.000 3.434 380 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.258 380 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.258 380 G C 0.351 175.350 174.900 0.164 0.000 1.128 380 G CA -0.306 44.909 45.100 0.191 0.000 0.792 380 G HN 0.713 nan 8.290 nan 0.000 0.539 381 D N 1.868 122.313 120.400 0.074 0.000 2.182 381 D HA -0.150 4.490 4.640 -0.001 0.000 0.201 381 D C 2.400 178.722 176.300 0.037 0.000 0.986 381 D CA 1.129 55.149 54.000 0.033 0.000 0.847 381 D CB 0.140 40.946 40.800 0.010 0.000 0.942 381 D HN 0.615 nan 8.370 nan 0.000 0.467 382 K N 0.434 120.877 120.400 0.072 0.000 2.365 382 K HA -0.067 4.252 4.320 -0.001 0.000 0.199 382 K C 0.639 177.303 176.600 0.106 0.000 1.045 382 K CA 0.970 57.314 56.287 0.095 0.000 0.962 382 K CB 0.237 32.790 32.500 0.089 0.000 0.759 382 K HN -0.066 nan 8.250 nan 0.000 0.469 383 D N 0.771 121.227 120.400 0.093 0.000 2.388 383 D HA 0.033 4.673 4.640 -0.001 0.000 0.221 383 D C 1.200 177.490 176.300 -0.017 0.000 1.133 383 D CA -0.024 54.004 54.000 0.046 0.000 0.831 383 D CB 0.352 41.168 40.800 0.027 0.000 0.962 383 D HN 0.166 nan 8.370 nan 0.000 0.502 384 I N -0.159 120.385 120.570 -0.044 0.000 2.394 384 I HA -0.200 3.970 4.170 -0.001 0.000 0.251 384 I C 1.395 177.377 176.117 -0.225 0.000 1.136 384 I CA 1.335 62.526 61.300 -0.181 0.000 1.425 384 I CB -0.054 37.721 38.000 -0.376 0.000 1.079 384 I HN -0.183 nan 8.210 nan 0.000 0.425 385 F N -0.128 119.860 119.950 0.064 0.000 2.262 385 F HA -0.034 4.492 4.527 -0.001 0.000 0.292 385 F C 2.526 178.365 175.800 0.066 0.000 1.081 385 F CA 1.381 59.440 58.000 0.099 0.000 1.355 385 F CB -1.448 37.595 39.000 0.072 0.000 1.069 385 F HN -0.096 nan 8.300 nan 0.000 0.506 386 T N 0.048 114.718 114.554 0.193 0.000 2.665 386 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 386 T C 2.198 176.906 174.700 0.013 0.000 1.035 386 T CA 1.744 63.893 62.100 0.082 0.000 1.151 386 T CB -0.686 68.199 68.868 0.028 0.000 0.862 386 T HN 0.035 nan 8.240 nan 0.000 0.438 387 V N 0.558 120.417 119.914 -0.092 0.000 2.626 387 V HA -0.152 3.968 4.120 -0.001 0.000 0.252 387 V C 2.168 178.269 176.094 0.012 0.000 1.067 387 V CA 1.502 63.698 62.300 -0.173 0.000 1.081 387 V CB -0.744 30.777 31.823 -0.503 0.000 0.686 387 V HN 0.652 nan 8.190 nan 0.000 0.468 388 H N 0.146 119.195 119.070 -0.036 0.000 2.299 388 H HA -0.174 4.382 4.556 -0.001 0.000 0.302 388 H C 2.218 177.564 175.328 0.030 0.000 1.078 388 H CA 1.535 57.591 56.048 0.013 0.000 1.323 388 H CB 0.290 30.085 29.762 0.055 0.000 1.381 388 H HN 0.373 nan 8.280 nan 0.000 0.498 389 D N 0.646 121.106 120.400 0.100 0.000 2.123 389 D HA -0.154 4.486 4.640 -0.001 0.000 0.196 389 D C 2.236 178.546 176.300 0.018 0.000 0.992 389 D CA 1.083 55.087 54.000 0.006 0.000 0.833 389 D CB -0.296 40.520 40.800 0.027 0.000 0.954 389 D HN 0.481 nan 8.370 nan 0.000 0.455 390 I N 0.301 120.892 120.570 0.034 0.000 2.530 390 I HA -0.178 3.991 4.170 -0.001 0.000 0.257 390 I C 1.174 177.309 176.117 0.029 0.000 1.179 390 I CA 0.453 61.769 61.300 0.027 0.000 1.440 390 I CB -0.150 37.858 38.000 0.015 0.000 1.087 390 I HN -0.058 nan 8.210 nan 0.000 0.440 391 L N 0.000 121.252 121.223 0.048 0.000 2.949 391 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 391 L CA 0.000 54.876 54.840 0.059 0.000 0.813 391 L CB 0.000 42.118 42.059 0.099 0.000 0.961 391 L HN 0.000 nan 8.230 nan 0.000 0.502