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 1ccc_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPWGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TAYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.666 176.870 -0.340 0.000 1.165 4 L CA 0.000 54.694 54.840 -0.244 0.000 0.813 4 L CB 0.000 41.873 42.059 -0.310 0.000 0.961 5 V N 1.588 121.276 119.914 -0.376 0.000 2.581 5 V HA 0.314 nan 4.120 nan 0.000 0.303 5 V C -1.272 174.496 176.094 -0.544 0.000 1.041 5 V CA -1.306 60.776 62.300 -0.362 0.000 0.907 5 V CB 1.850 33.556 31.823 -0.195 0.000 0.994 5 V HN 0.022 8.031 8.190 -0.303 0.000 0.442 6 H N 4.774 123.638 119.070 -0.343 0.000 2.887 6 H HA 0.275 nan 4.556 nan 0.000 0.300 6 H C -1.343 173.616 175.328 -0.614 0.000 1.038 6 H CA -1.067 54.560 56.048 -0.702 0.000 1.352 6 H CB 1.057 30.031 29.762 -1.313 0.000 1.473 6 H HN 0.437 8.511 8.280 -0.343 0.000 0.503 7 V N 3.741 123.530 119.914 -0.207 0.000 2.465 7 V HA 0.275 nan 4.120 nan 0.000 0.279 7 V C -0.721 175.383 176.094 0.017 0.000 1.045 7 V CA -1.215 61.012 62.300 -0.121 0.000 0.938 7 V CB 0.374 32.169 31.823 -0.047 0.000 0.986 7 V HN 0.532 8.658 8.190 -0.107 0.000 0.467 8 A N 7.971 130.724 122.820 -0.111 0.000 2.491 8 A HA 0.021 nan 4.320 nan 0.000 0.261 8 A C -1.194 176.435 177.584 0.076 0.000 1.101 8 A CA 0.532 52.561 52.037 -0.013 0.000 0.772 8 A CB 0.228 19.101 19.000 -0.212 0.000 1.043 8 A HN 0.698 8.674 8.150 -0.290 0.000 0.501 9 S N 4.592 120.359 115.700 0.112 0.000 2.498 9 S HA 0.075 nan 4.470 nan 0.000 0.324 9 S C -0.451 174.224 174.600 0.124 0.000 1.071 9 S CA -0.719 57.545 58.200 0.106 0.000 1.113 9 S CB 0.844 64.107 63.200 0.104 0.000 0.976 9 S HN -0.201 8.186 8.310 0.128 0.000 0.462 10 V N 6.363 126.361 119.914 0.140 0.000 2.720 10 V HA -0.164 nan 4.120 nan 0.000 0.307 10 V C 0.131 176.351 176.094 0.210 0.000 1.071 10 V CA 0.478 62.900 62.300 0.202 0.000 1.199 10 V CB 0.277 32.224 31.823 0.205 0.000 0.900 10 V HN 0.256 8.519 8.190 0.122 0.000 0.494 11 E N 5.761 126.141 120.200 0.300 0.000 2.558 11 E HA -0.187 nan 4.350 nan 0.000 0.255 11 E C -0.414 176.271 176.600 0.142 0.000 0.968 11 E CA 0.738 57.297 56.400 0.265 0.000 0.939 11 E CB 0.437 30.394 29.700 0.429 0.000 0.921 11 E HN 0.300 8.904 8.360 0.406 0.000 0.477 12 K N 6.763 127.220 120.400 0.096 0.000 2.430 12 K HA -0.326 nan 4.320 nan 0.000 0.280 12 K C 0.426 177.008 176.600 -0.031 0.000 1.063 12 K CA 1.618 57.930 56.287 0.042 0.000 1.071 12 K CB -0.153 32.372 32.500 0.043 0.000 0.899 12 K HN 0.579 8.898 8.250 0.116 0.000 0.473 13 G N 3.790 112.575 108.800 -0.025 0.000 2.176 13 G HA2 -0.340 nan 3.960 nan 0.000 0.253 13 G HA3 -0.340 nan 3.960 nan 0.000 0.253 13 G C -0.176 174.647 174.900 -0.127 0.000 0.979 13 G CA -0.057 45.001 45.100 -0.069 0.000 0.641 13 G HN 0.219 8.520 8.290 0.018 0.000 0.530 14 R N 0.978 121.393 120.500 -0.142 0.000 2.308 14 R HA 0.283 nan 4.340 nan 0.000 0.305 14 R C -0.611 175.705 176.300 0.025 0.000 1.053 14 R CA -1.678 54.269 56.100 -0.255 0.000 0.957 14 R CB 0.369 30.360 30.300 -0.515 0.000 1.022 14 R HN -0.297 7.886 8.270 -0.059 0.052 0.461 15 S N 5.187 120.882 115.700 -0.009 0.000 2.801 15 S HA 0.381 nan 4.470 nan 0.000 0.312 15 S C 0.360 175.055 174.600 0.158 0.000 1.112 15 S CA -1.380 56.925 58.200 0.174 0.000 0.943 15 S CB 1.946 65.211 63.200 0.107 0.000 1.269 15 S HN 0.276 8.817 8.310 -0.152 -0.321 0.558 16 Y N 2.327 122.577 120.300 -0.082 0.000 2.069 16 Y HA -0.485 nan 4.550 nan 0.000 0.278 16 Y C 1.166 176.987 175.900 -0.131 0.000 1.175 16 Y CA 3.995 61.819 58.100 -0.459 0.000 1.134 16 Y CB 0.009 38.242 38.460 -0.380 0.000 0.965 16 Y HN 0.456 8.892 8.280 0.259 0.000 0.498 17 E N -3.098 116.919 120.200 -0.305 0.000 2.160 17 E HA -0.408 nan 4.350 nan 0.000 0.195 17 E C 2.517 178.984 176.600 -0.223 0.000 0.991 17 E CA 3.258 59.470 56.400 -0.314 0.000 0.810 17 E CB -0.967 28.667 29.700 -0.109 0.000 0.742 17 E HN 0.244 8.587 8.360 -0.028 0.000 0.466 18 D N 0.009 120.286 120.400 -0.206 0.000 2.092 18 D HA -0.263 nan 4.640 nan 0.000 0.193 18 D C 2.375 178.586 176.300 -0.149 0.000 0.994 18 D CA 3.386 57.259 54.000 -0.211 0.000 0.828 18 D CB -0.266 40.194 40.800 -0.566 0.000 0.963 18 D HN -0.500 7.753 8.370 -0.196 0.000 0.450 19 F N -0.865 119.106 119.950 0.035 0.000 2.134 19 F HA -0.280 nan 4.527 nan 0.000 0.299 19 F C 2.067 177.670 175.800 -0.328 0.000 1.097 19 F CA 3.269 61.258 58.000 -0.017 0.000 1.264 19 F CB -0.384 38.754 39.000 0.230 0.000 1.001 19 F HN -0.798 7.415 8.300 -0.145 0.000 0.479 20 Q N -0.850 118.848 119.800 -0.169 0.000 2.181 20 Q HA -0.395 nan 4.340 nan 0.000 0.205 20 Q C 2.090 177.958 176.000 -0.220 0.000 0.980 20 Q CA 3.177 58.814 55.803 -0.277 0.000 0.862 20 Q CB -0.617 27.874 28.738 -0.411 0.000 0.905 20 Q HN 0.300 8.430 8.270 -0.233 0.000 0.429 21 K N -0.628 119.652 120.400 -0.200 0.000 2.097 21 K HA -0.295 nan 4.320 nan 0.000 0.205 21 K C 2.346 178.687 176.600 -0.433 0.000 1.050 21 K CA 3.391 59.583 56.287 -0.159 0.000 0.938 21 K CB -0.170 32.344 32.500 0.023 0.000 0.718 21 K HN -0.458 7.593 8.250 -0.188 0.086 0.442 22 V N 0.275 119.746 119.914 -0.739 0.000 2.358 22 V HA -0.359 nan 4.120 nan 0.000 0.246 22 V C 1.721 177.499 176.094 -0.525 0.000 1.047 22 V CA 4.401 66.120 62.300 -0.969 0.000 1.035 22 V CB -1.094 30.211 31.823 -0.864 0.000 0.658 22 V HN -0.585 7.185 8.190 -0.566 0.080 0.452 23 Y N -0.124 119.817 120.300 -0.598 0.000 2.053 23 Y HA -0.645 nan 4.550 nan 0.000 0.277 23 Y C 1.448 177.161 175.900 -0.313 0.000 1.159 23 Y CA 4.023 61.803 58.100 -0.534 0.000 1.125 23 Y CB -0.179 37.834 38.460 -0.745 0.000 0.969 23 Y HN 0.020 8.036 8.280 -0.440 0.000 0.492 24 N N -1.118 117.621 118.700 0.065 0.000 2.060 24 N HA -0.601 nan 4.740 nan 0.000 0.195 24 N C 2.078 177.559 175.510 -0.048 0.000 1.028 24 N CA 3.163 56.240 53.050 0.046 0.000 0.861 24 N CB -0.229 38.283 38.487 0.042 0.000 1.029 24 N HN -0.089 8.334 8.380 0.073 0.000 0.428 25 A N 0.244 123.014 122.820 -0.083 0.000 1.883 25 A HA -0.302 nan 4.320 nan 0.000 0.217 25 A C 2.015 179.523 177.584 -0.127 0.000 1.186 25 A CA 3.070 55.072 52.037 -0.058 0.000 0.624 25 A CB -0.650 18.376 19.000 0.044 0.000 0.822 25 A HN -0.130 7.945 8.150 -0.124 0.000 0.444 26 I N -1.461 118.994 120.570 -0.192 0.000 2.163 26 I HA -0.606 nan 4.170 nan 0.000 0.243 26 I C 1.888 177.956 176.117 -0.080 0.000 1.085 26 I CA 4.017 65.235 61.300 -0.137 0.000 1.347 26 I CB -0.277 37.594 38.000 -0.214 0.000 1.044 26 I HN -0.301 7.759 8.210 -0.251 0.000 0.408 27 A N -0.049 122.650 122.820 -0.202 0.000 1.902 27 A HA -0.281 nan 4.320 nan 0.000 0.217 27 A C 2.148 179.720 177.584 -0.020 0.000 1.181 27 A CA 3.317 55.271 52.037 -0.137 0.000 0.623 27 A CB -0.678 18.223 19.000 -0.166 0.000 0.818 27 A HN 0.095 8.059 8.150 -0.310 0.000 0.443 28 L N -2.040 119.173 121.223 -0.017 0.000 2.056 28 L HA -0.285 nan 4.340 nan 0.000 0.207 28 L C 2.082 178.954 176.870 0.004 0.000 1.078 28 L CA 2.321 57.162 54.840 0.002 0.000 0.749 28 L CB -1.067 40.988 42.059 -0.007 0.000 0.901 28 L HN 0.146 8.352 8.230 -0.040 0.000 0.433 29 K N -0.127 120.256 120.400 -0.029 0.000 2.217 29 K HA -0.239 nan 4.320 nan 0.000 0.202 29 K C 2.508 179.218 176.600 0.185 0.000 1.051 29 K CA 3.237 59.493 56.287 -0.052 0.000 0.952 29 K CB -0.206 32.071 32.500 -0.371 0.000 0.736 29 K HN -0.367 7.846 8.250 -0.062 0.000 0.453 30 L N -1.691 119.692 121.223 0.267 0.000 2.056 30 L HA -0.367 nan 4.340 nan 0.000 0.207 30 L C 1.886 178.851 176.870 0.158 0.000 1.078 30 L CA 2.917 57.899 54.840 0.238 0.000 0.749 30 L CB -0.334 41.780 42.059 0.091 0.000 0.901 30 L HN 0.054 8.324 8.230 0.199 0.079 0.433 31 R N -2.340 118.223 120.500 0.105 0.000 2.083 31 R HA -0.341 nan 4.340 nan 0.000 0.237 31 R C 2.072 178.430 176.300 0.096 0.000 1.137 31 R CA 2.678 58.831 56.100 0.088 0.000 0.951 31 R CB 0.038 30.377 30.300 0.065 0.000 0.851 31 R HN -0.617 7.705 8.270 0.086 0.000 0.434 32 E N -1.705 118.547 120.200 0.086 0.000 2.031 32 E HA -0.222 nan 4.350 nan 0.000 0.193 32 E C 1.972 178.637 176.600 0.107 0.000 0.994 32 E CA 2.400 58.846 56.400 0.077 0.000 0.800 32 E CB 0.194 29.917 29.700 0.037 0.000 0.752 32 E HN -0.508 7.898 8.360 0.076 0.000 0.447 33 D N 0.228 120.727 120.400 0.165 0.000 2.994 33 D HA 0.151 nan 4.640 nan 0.000 0.240 33 D C -0.161 176.270 176.300 0.218 0.000 1.195 33 D CA -0.418 53.719 54.000 0.230 0.000 0.957 33 D CB -1.766 39.251 40.800 0.362 0.000 1.105 33 D HN -0.255 8.225 8.370 0.184 0.000 0.477 34 D N -1.345 119.124 120.400 0.115 0.000 2.363 34 D HA -0.231 nan 4.640 nan 0.000 0.220 34 D C 0.093 176.282 176.300 -0.186 0.000 0.994 34 D CA 1.760 55.793 54.000 0.055 0.000 0.890 34 D CB -0.332 40.539 40.800 0.118 0.000 0.906 34 D HN -0.333 8.026 8.370 0.112 0.078 0.530 35 E N -2.240 117.775 120.200 -0.308 0.000 2.285 35 E HA -0.278 nan 4.350 nan 0.000 0.194 35 E C 0.387 176.672 176.600 -0.525 0.000 0.997 35 E CA 0.217 56.135 56.400 -0.804 0.000 0.845 35 E CB -0.918 28.535 29.700 -0.412 0.000 0.782 35 E HN 0.068 8.305 8.360 -0.096 0.065 0.491 36 Y N 4.116 124.199 120.300 -0.361 0.000 2.904 36 Y HA -0.373 nan 4.550 nan 0.000 0.336 36 Y C -1.087 174.608 175.900 -0.341 0.000 1.263 36 Y CA 1.799 59.664 58.100 -0.391 0.000 1.547 36 Y CB 0.299 38.300 38.460 -0.766 0.000 1.272 36 Y HN -0.982 7.283 8.280 -0.024 0.000 0.596 37 D N 6.619 126.446 120.400 -0.955 0.000 2.812 37 D HA -0.462 nan 4.640 nan 0.000 0.237 37 D C -1.021 175.099 176.300 -0.301 0.000 1.162 37 D CA 1.094 54.678 54.000 -0.693 0.000 0.740 37 D CB -0.801 39.513 40.800 -0.811 0.000 1.000 37 D HN 0.440 8.220 8.370 -0.982 0.000 0.416 38 N N -2.808 115.778 118.700 -0.190 0.000 2.714 38 N HA -0.418 nan 4.740 nan 0.000 0.252 38 N C -0.921 174.664 175.510 0.126 0.000 1.014 38 N CA 1.337 54.392 53.050 0.009 0.000 0.735 38 N CB -1.175 37.324 38.487 0.020 0.000 0.924 38 N HN 0.447 8.699 8.380 -0.213 0.000 0.540 39 Y N -9.519 110.752 120.300 -0.049 0.000 4.490 39 Y HA -0.479 nan 4.550 nan 0.000 0.233 39 Y C 0.182 176.079 175.900 -0.005 0.000 1.101 39 Y CA 1.454 59.548 58.100 -0.009 0.000 2.010 39 Y CB -2.155 36.307 38.460 0.002 0.000 1.622 39 Y HN -0.245 7.682 8.280 -0.433 0.093 0.675 40 I N -2.454 118.114 120.570 -0.003 0.000 2.406 40 I HA -0.243 nan 4.170 nan 0.000 0.249 40 I C 0.570 176.704 176.117 0.029 0.000 1.122 40 I CA 1.873 63.182 61.300 0.015 0.000 1.431 40 I CB 0.701 38.688 38.000 -0.023 0.000 1.087 40 I HN -0.586 7.407 8.210 -0.073 0.173 0.424 41 G N -2.729 106.074 108.800 0.005 0.000 2.746 41 G HA2 -0.270 nan 3.960 nan 0.000 0.685 41 G HA3 -0.270 nan 3.960 nan 0.000 0.685 41 G C -0.611 174.327 174.900 0.063 0.000 1.350 41 G CA -0.631 44.501 45.100 0.054 0.000 0.837 41 G HN -0.493 7.757 8.290 -0.067 0.000 0.564 42 Y N 0.239 120.497 120.300 -0.070 0.000 2.583 42 Y HA -0.154 nan 4.550 nan 0.000 0.293 42 Y C 1.474 177.202 175.900 -0.287 0.000 1.157 42 Y CA 1.981 59.879 58.100 -0.336 0.000 1.315 42 Y CB -0.228 37.679 38.460 -0.920 0.000 1.021 42 Y HN 0.532 8.916 8.280 0.173 0.000 0.536 43 G N 0.441 109.216 108.800 -0.041 0.000 2.586 43 G HA2 -0.365 nan 3.960 nan 0.000 0.218 43 G HA3 -0.365 nan 3.960 nan 0.000 0.218 43 G C -1.194 173.716 174.900 0.017 0.000 1.216 43 G CA 2.568 47.649 45.100 -0.031 0.000 0.786 43 G HN 0.598 8.827 8.290 -0.004 0.059 0.583 44 P HA -0.234 nan 4.420 nan 0.000 0.214 44 P C 0.987 178.355 177.300 0.114 0.000 1.163 44 P CA 2.720 65.885 63.100 0.108 0.000 0.889 44 P CB -0.611 31.168 31.700 0.131 0.000 0.790 45 V N -3.426 116.549 119.914 0.102 0.000 2.594 45 V HA -0.296 nan 4.120 nan 0.000 0.253 45 V C 1.681 177.794 176.094 0.031 0.000 1.069 45 V CA 2.913 65.263 62.300 0.084 0.000 1.082 45 V CB -0.599 31.285 31.823 0.102 0.000 0.680 45 V HN -0.166 8.090 8.190 0.111 0.000 0.469 46 L N -1.523 119.699 121.223 -0.003 0.000 2.131 46 L HA -0.248 nan 4.340 nan 0.000 0.206 46 L C 1.867 178.787 176.870 0.082 0.000 1.087 46 L CA 3.169 58.000 54.840 -0.015 0.000 0.767 46 L CB -0.408 41.589 42.059 -0.102 0.000 0.917 46 L HN -0.437 7.757 8.230 -0.021 0.023 0.441 47 V N -1.023 118.967 119.914 0.126 0.000 2.719 47 V HA -0.329 nan 4.120 nan 0.000 0.252 47 V C 1.200 177.490 176.094 0.327 0.000 1.065 47 V CA 3.364 65.815 62.300 0.251 0.000 1.086 47 V CB -0.706 31.227 31.823 0.183 0.000 0.700 47 V HN 0.048 8.291 8.190 0.089 0.000 0.467 48 R N 0.610 121.259 120.500 0.247 0.000 2.096 48 R HA -0.312 nan 4.340 nan 0.000 0.235 48 R C 1.819 178.165 176.300 0.076 0.000 1.127 48 R CA 3.426 59.689 56.100 0.272 0.000 0.968 48 R CB -0.104 30.285 30.300 0.149 0.000 0.861 48 R HN -0.188 8.192 8.270 0.184 0.000 0.440 49 L N -0.827 120.383 121.223 -0.020 0.000 2.027 49 L HA -0.281 nan 4.340 nan 0.000 0.206 49 L C 0.998 177.829 176.870 -0.065 0.000 1.074 49 L CA 3.175 57.911 54.840 -0.174 0.000 0.745 49 L CB -0.410 41.524 42.059 -0.207 0.000 0.898 49 L HN -0.021 8.216 8.230 0.012 0.000 0.433 50 A N -1.042 121.847 122.820 0.116 0.000 1.933 50 A HA -0.299 nan 4.320 nan 0.000 0.218 50 A C 1.528 179.249 177.584 0.227 0.000 1.175 50 A CA 2.918 55.062 52.037 0.177 0.000 0.628 50 A CB -0.823 18.339 19.000 0.270 0.000 0.814 50 A HN -0.317 7.925 8.150 0.153 0.000 0.444 51 W N -1.355 120.081 121.300 0.226 0.000 2.409 51 W HA -0.413 nan 4.660 nan 0.000 0.299 51 W C 1.401 178.089 176.519 0.283 0.000 1.203 51 W CA 3.091 60.601 57.345 0.275 0.000 1.298 51 W CB 0.121 29.809 29.460 0.381 0.000 1.127 51 W HN -0.152 8.347 8.180 0.532 0.000 0.528 52 H N -0.903 117.849 119.070 -0.530 0.000 2.428 52 H HA -0.315 nan 4.556 nan 0.000 0.296 52 H C 2.302 177.430 175.328 -0.334 0.000 1.062 52 H CA 2.946 58.611 56.048 -0.639 0.000 1.350 52 H CB 0.919 30.419 29.762 -0.437 0.000 1.403 52 H HN -0.309 7.932 8.280 -0.064 0.000 0.533 53 I N -5.043 115.468 120.570 -0.098 0.000 2.546 53 I HA -0.224 nan 4.170 nan 0.000 0.255 53 I C 0.532 176.668 176.117 0.032 0.000 1.163 53 I CA 2.093 63.384 61.300 -0.014 0.000 1.457 53 I CB -0.238 37.770 38.000 0.012 0.000 1.092 53 I HN -0.404 7.738 8.210 -0.115 0.000 0.434 54 S N 0.004 115.715 115.700 0.019 0.000 2.425 54 S HA -0.065 nan 4.470 nan 0.000 0.225 54 S C 2.271 176.918 174.600 0.078 0.000 1.024 54 S CA 3.695 61.927 58.200 0.053 0.000 0.951 54 S CB 0.257 63.503 63.200 0.077 0.000 0.796 54 S HN -0.731 7.567 8.310 0.009 0.018 0.498 55 G N 0.174 108.937 108.800 -0.061 0.000 2.598 55 G HA2 -0.162 nan 3.960 nan 0.000 0.215 55 G HA3 -0.162 nan 3.960 nan 0.000 0.215 55 G C -0.266 174.618 174.900 -0.026 0.000 1.131 55 G CA 1.988 47.017 45.100 -0.119 0.000 0.785 55 G HN 0.197 8.374 8.290 -0.189 0.000 0.539 56 T N -3.094 111.461 114.554 0.002 0.000 3.160 56 T HA -0.093 nan 4.350 nan 0.000 0.257 56 T C 0.109 174.887 174.700 0.131 0.000 1.147 56 T CA -0.664 61.466 62.100 0.050 0.000 1.064 56 T CB -0.906 67.999 68.868 0.062 0.000 0.949 56 T HN -0.439 7.738 8.240 -0.009 0.057 0.526 57 W N 2.377 123.662 121.300 -0.026 0.000 2.251 57 W HA -0.153 nan 4.660 nan 0.000 0.327 57 W C -1.636 174.848 176.519 -0.058 0.000 1.361 57 W CA 0.590 57.922 57.345 -0.021 0.000 1.234 57 W CB 0.451 29.907 29.460 -0.006 0.000 1.212 57 W HN -0.733 7.552 8.180 0.294 0.071 0.557 58 D N 8.773 128.843 120.400 -0.550 0.000 2.381 58 D HA 0.303 nan 4.640 nan 0.000 0.235 58 D C 0.101 175.616 176.300 -1.309 0.000 1.068 58 D CA -1.666 51.906 54.000 -0.712 0.000 0.832 58 D CB 2.259 42.866 40.800 -0.323 0.000 1.101 58 D HN 0.235 8.352 8.370 -0.422 0.000 0.515 59 K N 5.856 125.330 120.400 -1.543 0.000 2.360 59 K HA -0.292 nan 4.320 nan 0.000 0.201 59 K C 1.170 177.326 176.600 -0.740 0.000 1.046 59 K CA 1.965 57.394 56.287 -1.430 0.000 0.945 59 K CB -0.139 31.766 32.500 -0.992 0.000 0.750 59 K HN 0.070 7.534 8.250 -1.309 0.000 0.464 60 H N -0.884 117.946 119.070 -0.400 0.000 2.403 60 H HA -0.104 nan 4.556 nan 0.000 0.298 60 H C 0.951 176.175 175.328 -0.175 0.000 1.059 60 H CA 1.919 57.831 56.048 -0.227 0.000 1.363 60 H CB 0.450 30.103 29.762 -0.182 0.000 1.410 60 H HN -0.202 7.885 8.280 -0.704 -0.229 0.528 61 D N -5.328 115.020 120.400 -0.086 0.000 2.513 61 D HA -0.005 nan 4.640 nan 0.000 0.222 61 D C -0.021 176.241 176.300 -0.063 0.000 1.210 61 D CA -1.080 52.884 54.000 -0.060 0.000 0.825 61 D CB -0.028 40.751 40.800 -0.035 0.000 1.037 61 D HN -0.609 7.663 8.370 -0.163 0.000 0.506 62 N N -2.079 116.553 118.700 -0.114 0.000 2.708 62 N HA -0.465 nan 4.740 nan 0.000 0.251 62 N C -0.942 174.697 175.510 0.215 0.000 1.123 62 N CA 1.302 54.399 53.050 0.077 0.000 0.739 62 N CB -0.816 37.734 38.487 0.105 0.000 1.113 62 N HN -0.239 7.997 8.380 -0.240 0.000 0.561 63 T N -6.792 107.801 114.554 0.066 0.000 2.874 63 T HA 0.312 nan 4.350 nan 0.000 0.281 63 T C -0.191 174.636 174.700 0.212 0.000 0.994 63 T CA -1.148 61.046 62.100 0.157 0.000 1.015 63 T CB 1.921 70.830 68.868 0.068 0.000 1.028 63 T HN -0.814 7.581 8.240 -0.076 -0.200 0.523 64 G N 2.825 111.756 108.800 0.218 0.000 2.645 64 G HA2 -0.487 nan 3.960 nan 0.000 0.246 64 G HA3 -0.487 nan 3.960 nan 0.000 0.246 64 G C -0.612 174.472 174.900 0.306 0.000 1.322 64 G CA -0.310 44.926 45.100 0.226 0.000 0.898 64 G HN 0.351 8.758 8.290 0.194 0.000 0.573 65 G N -1.121 107.837 108.800 0.262 0.000 2.796 65 G HA2 -0.325 nan 3.960 nan 0.000 0.571 65 G HA3 -0.325 nan 3.960 nan 0.000 0.571 65 G C 0.689 175.647 174.900 0.098 0.000 1.370 65 G CA -0.344 44.848 45.100 0.152 0.000 0.856 65 G HN -0.054 8.333 8.290 0.227 0.040 0.538 66 S N 0.939 116.669 115.700 0.050 0.000 2.453 66 S HA -0.292 nan 4.470 nan 0.000 0.231 66 S C 1.551 176.205 174.600 0.090 0.000 1.005 66 S CA 2.786 61.039 58.200 0.088 0.000 0.949 66 S CB 0.234 63.474 63.200 0.065 0.000 0.774 66 S HN 0.512 8.813 8.310 -0.014 0.000 0.510 67 Y N 4.416 124.664 120.300 -0.086 0.000 2.069 67 Y HA -0.427 nan 4.550 nan 0.000 0.278 67 Y C 0.777 176.641 175.900 -0.060 0.000 1.175 67 Y CA 3.279 61.302 58.100 -0.129 0.000 1.134 67 Y CB -0.066 38.204 38.460 -0.316 0.000 0.965 67 Y HN 0.130 8.418 8.280 0.096 0.050 0.498 68 G N -6.563 102.273 108.800 0.060 0.000 2.985 68 G HA2 -0.105 nan 3.960 nan 0.000 0.209 68 G HA3 -0.105 nan 3.960 nan 0.000 0.209 68 G C -0.051 174.911 174.900 0.103 0.000 1.165 68 G CA -0.508 44.633 45.100 0.068 0.000 0.776 68 G HN -0.110 8.257 8.290 0.129 0.000 0.541 69 G N 0.175 109.053 108.800 0.131 0.000 2.283 69 G HA2 -0.484 nan 3.960 nan 0.000 0.280 69 G HA3 -0.484 nan 3.960 nan 0.000 0.280 69 G C 0.455 175.537 174.900 0.304 0.000 1.029 69 G CA 1.139 46.380 45.100 0.235 0.000 0.840 69 G HN -0.438 7.848 8.290 0.107 0.068 0.505 70 T N -3.551 111.189 114.554 0.309 0.000 3.113 70 T HA -0.287 nan 4.350 nan 0.000 0.263 70 T C 1.063 175.946 174.700 0.304 0.000 1.143 70 T CA 1.610 63.928 62.100 0.362 0.000 1.090 70 T CB -0.899 68.215 68.868 0.411 0.000 0.922 70 T HN 0.260 8.646 8.240 0.284 0.024 0.521 71 Y N 3.970 124.375 120.300 0.175 0.000 2.465 71 Y HA -0.317 nan 4.550 nan 0.000 0.289 71 Y C 0.376 176.301 175.900 0.042 0.000 1.150 71 Y CA 1.310 59.456 58.100 0.076 0.000 1.293 71 Y CB -0.533 37.870 38.460 -0.094 0.000 0.977 71 Y HN -0.570 7.940 8.280 0.461 0.046 0.556 72 R N -1.799 118.672 120.500 -0.048 0.000 2.237 72 R HA -0.234 nan 4.340 nan 0.000 0.219 72 R C 0.360 176.338 176.300 -0.535 0.000 1.080 72 R CA 1.715 57.631 56.100 -0.306 0.000 0.995 72 R CB -0.026 30.143 30.300 -0.218 0.000 0.875 72 R HN -0.692 7.638 8.270 0.166 0.040 0.462 73 F N -0.940 118.972 119.950 -0.064 0.000 2.375 73 F HA 0.157 nan 4.527 nan 0.000 0.333 73 F C 0.860 176.605 175.800 -0.092 0.000 1.104 73 F CA -1.147 56.809 58.000 -0.072 0.000 1.149 73 F CB 0.515 39.516 39.000 0.002 0.000 1.190 73 F HN -0.489 7.521 8.300 -0.208 0.165 0.533 74 K N 3.881 124.347 120.400 0.111 0.000 2.052 74 K HA -0.501 nan 4.320 nan 0.000 0.215 74 K C 1.840 178.500 176.600 0.100 0.000 1.053 74 K CA 4.243 60.566 56.287 0.060 0.000 0.934 74 K CB -0.648 31.880 32.500 0.046 0.000 0.717 74 K HN 0.767 9.112 8.250 0.159 0.000 0.450 75 K N -1.630 118.830 120.400 0.101 0.000 2.034 75 K HA -0.407 nan 4.320 nan 0.000 0.214 75 K C 1.473 178.126 176.600 0.088 0.000 1.051 75 K CA 3.616 59.953 56.287 0.083 0.000 0.931 75 K CB -0.248 32.297 32.500 0.074 0.000 0.715 75 K HN 0.073 8.388 8.250 0.109 0.000 0.446 76 E N -2.652 117.617 120.200 0.115 0.000 2.107 76 E HA -0.213 nan 4.350 nan 0.000 0.191 76 E C 2.697 179.329 176.600 0.054 0.000 0.982 76 E CA 2.251 58.721 56.400 0.117 0.000 0.809 76 E CB -0.019 29.787 29.700 0.177 0.000 0.756 76 E HN -0.526 7.922 8.360 0.148 0.000 0.459 77 F N 0.390 120.182 119.950 -0.264 0.000 2.134 77 F HA -0.322 nan 4.527 nan 0.000 0.299 77 F C 0.400 176.083 175.800 -0.195 0.000 1.097 77 F CA 3.233 60.929 58.000 -0.507 0.000 1.264 77 F CB 0.350 38.971 39.000 -0.630 0.000 1.001 77 F HN 0.013 8.349 8.300 0.060 0.000 0.479 78 N N -3.677 115.033 118.700 0.016 0.000 2.322 78 N HA -0.001 nan 4.740 nan 0.000 0.194 78 N C -1.175 174.337 175.510 0.004 0.000 1.126 78 N CA 0.413 53.465 53.050 0.002 0.000 0.845 78 N CB 0.400 38.926 38.487 0.065 0.000 0.976 78 N HN -0.274 8.166 8.380 0.099 0.000 0.475 79 D N 2.620 123.028 120.400 0.014 0.000 2.472 79 D HA 0.056 nan 4.640 nan 0.000 0.248 79 D C -0.143 176.175 176.300 0.030 0.000 1.174 79 D CA -1.477 52.543 54.000 0.034 0.000 0.883 79 D CB 0.593 41.426 40.800 0.055 0.000 1.149 79 D HN -0.679 7.519 8.370 0.014 0.181 0.488 80 P HA -0.256 nan 4.420 nan 0.000 0.218 80 P C 1.372 178.711 177.300 0.065 0.000 1.154 80 P CA 2.344 65.468 63.100 0.040 0.000 0.872 80 P CB 0.182 31.905 31.700 0.039 0.000 0.790 81 S N -2.874 112.873 115.700 0.077 0.000 2.474 81 S HA -0.267 nan 4.470 nan 0.000 0.235 81 S C 0.674 175.406 174.600 0.220 0.000 0.997 81 S CA 2.942 61.215 58.200 0.123 0.000 0.949 81 S CB -0.396 62.834 63.200 0.049 0.000 0.766 81 S HN -0.425 8.112 8.310 0.060 -0.191 0.517 82 N N -0.062 118.732 118.700 0.156 0.000 2.270 82 N HA 0.058 nan 4.740 nan 0.000 0.198 82 N C -1.492 174.029 175.510 0.019 0.000 1.117 82 N CA -0.925 52.208 53.050 0.138 0.000 0.845 82 N CB 0.139 38.709 38.487 0.137 0.000 0.980 82 N HN -0.099 8.156 8.380 0.098 0.183 0.486 83 A N -0.804 122.032 122.820 0.027 0.000 2.548 83 A HA -0.128 nan 4.320 nan 0.000 0.247 83 A C 0.318 177.896 177.584 -0.009 0.000 1.067 83 A CA 1.680 53.713 52.037 -0.007 0.000 0.757 83 A CB -0.457 18.556 19.000 0.022 0.000 0.996 83 A HN -0.567 7.558 8.150 0.064 0.064 0.504 84 G N 3.314 112.092 108.800 -0.037 0.000 2.258 84 G HA2 -0.409 nan 3.960 nan 0.000 0.233 84 G HA3 -0.409 nan 3.960 nan 0.000 0.233 84 G C 1.144 176.031 174.900 -0.021 0.000 1.006 84 G CA 0.776 45.856 45.100 -0.033 0.000 0.620 84 G HN 0.429 8.912 8.290 -0.056 -0.227 0.511 85 L N 1.437 122.626 121.223 -0.055 0.000 2.395 85 L HA -0.305 nan 4.340 nan 0.000 0.218 85 L C 0.901 177.793 176.870 0.037 0.000 1.130 85 L CA 1.820 56.625 54.840 -0.059 0.000 0.826 85 L CB -0.539 41.420 42.059 -0.167 0.000 0.941 85 L HN -0.407 7.702 8.230 -0.072 0.078 0.451 86 Q N -1.119 118.678 119.800 -0.006 0.000 2.248 86 Q HA -0.425 nan 4.340 nan 0.000 0.208 86 Q C 2.278 178.440 176.000 0.270 0.000 0.984 86 Q CA 3.443 59.314 55.803 0.114 0.000 0.875 86 Q CB -0.957 27.807 28.738 0.044 0.000 0.910 86 Q HN 0.490 8.663 8.270 -0.099 0.037 0.433 87 N N -0.096 118.714 118.700 0.183 0.000 2.120 87 N HA -0.250 nan 4.740 nan 0.000 0.188 87 N C 2.172 177.802 175.510 0.201 0.000 1.024 87 N CA 2.901 56.072 53.050 0.202 0.000 0.852 87 N CB -0.551 38.044 38.487 0.181 0.000 1.003 87 N HN -0.583 7.843 8.380 0.120 0.026 0.424 88 G N -0.768 108.124 108.800 0.153 0.000 2.421 88 G HA2 -0.191 nan 3.960 nan 0.000 0.217 88 G HA3 -0.191 nan 3.960 nan 0.000 0.217 88 G C 0.994 176.018 174.900 0.206 0.000 1.143 88 G CA 1.465 46.629 45.100 0.107 0.000 0.784 88 G HN -0.261 8.007 8.290 0.122 0.095 0.541 89 F N 2.886 122.921 119.950 0.141 0.000 2.102 89 F HA -0.308 nan 4.527 nan 0.000 0.298 89 F C 1.091 177.013 175.800 0.203 0.000 1.105 89 F CA 3.023 61.167 58.000 0.240 0.000 1.239 89 F CB 0.367 39.625 39.000 0.430 0.000 0.991 89 F HN -0.387 8.150 8.300 0.396 0.000 0.474 90 K N -2.149 118.408 120.400 0.262 0.000 2.097 90 K HA -0.422 nan 4.320 nan 0.000 0.206 90 K C 1.973 178.547 176.600 -0.043 0.000 1.049 90 K CA 2.978 59.318 56.287 0.089 0.000 0.933 90 K CB -0.193 32.417 32.500 0.183 0.000 0.717 90 K HN -0.147 8.365 8.250 0.437 0.000 0.442 91 F N -1.542 118.271 119.950 -0.228 0.000 2.126 91 F HA -0.304 nan 4.527 nan 0.000 0.299 91 F C 0.951 176.571 175.800 -0.300 0.000 1.096 91 F CA 2.873 60.621 58.000 -0.421 0.000 1.255 91 F CB 0.587 39.172 39.000 -0.691 0.000 0.997 91 F HN -0.622 7.746 8.300 0.113 0.000 0.479 92 L N -3.760 117.435 121.223 -0.047 0.000 2.341 92 L HA -0.273 nan 4.340 nan 0.000 0.214 92 L C 1.596 178.338 176.870 -0.212 0.000 1.115 92 L CA 1.656 56.429 54.840 -0.111 0.000 0.820 92 L CB -0.272 41.814 42.059 0.046 0.000 0.944 92 L HN -0.505 7.680 8.230 0.068 0.086 0.452 93 E N 0.600 120.630 120.200 -0.283 0.000 2.070 93 E HA -0.267 nan 4.350 nan 0.000 0.197 93 E C -1.023 175.471 176.600 -0.177 0.000 1.004 93 E CA 5.571 61.809 56.400 -0.272 0.000 0.805 93 E CB -1.656 27.844 29.700 -0.334 0.000 0.744 93 E HN -0.176 8.002 8.360 -0.303 0.000 0.451 94 P HA -0.184 nan 4.420 nan 0.000 0.218 94 P C 1.598 178.809 177.300 -0.149 0.000 1.148 94 P CA 2.707 65.702 63.100 -0.176 0.000 0.822 94 P CB -0.495 31.079 31.700 -0.211 0.000 0.784 95 I N -1.972 118.500 120.570 -0.163 0.000 2.394 95 I HA -0.452 nan 4.170 nan 0.000 0.251 95 I C 1.682 177.817 176.117 0.031 0.000 1.136 95 I CA 3.726 64.985 61.300 -0.068 0.000 1.425 95 I CB -0.158 37.755 38.000 -0.146 0.000 1.079 95 I HN -0.843 7.125 8.210 -0.231 0.104 0.425 96 H N 0.761 119.740 119.070 -0.150 0.000 2.395 96 H HA -0.295 nan 4.556 nan 0.000 0.299 96 H C 1.551 176.783 175.328 -0.160 0.000 1.070 96 H CA 2.608 58.556 56.048 -0.165 0.000 1.356 96 H CB 0.397 30.046 29.762 -0.189 0.000 1.401 96 H HN -0.231 7.948 8.280 -0.030 0.083 0.524 97 K N -2.868 117.484 120.400 -0.081 0.000 2.147 97 K HA -0.187 nan 4.320 nan 0.000 0.205 97 K C 1.082 177.577 176.600 -0.175 0.000 1.049 97 K CA 1.388 57.588 56.287 -0.145 0.000 0.936 97 K CB -0.104 32.317 32.500 -0.132 0.000 0.722 97 K HN -0.473 7.736 8.250 -0.068 0.000 0.446 98 E N -1.447 118.634 120.200 -0.198 0.000 2.107 98 E HA -0.195 nan 4.350 nan 0.000 0.191 98 E C 0.130 176.310 176.600 -0.700 0.000 0.982 98 E CA 2.369 58.525 56.400 -0.407 0.000 0.809 98 E CB 0.926 30.381 29.700 -0.407 0.000 0.756 98 E HN -0.627 7.642 8.360 -0.136 0.010 0.459 99 F N -2.895 116.921 119.950 -0.223 0.000 2.449 99 F HA 0.462 nan 4.527 nan 0.000 0.344 99 F C -2.320 173.161 175.800 -0.531 0.000 1.180 99 F CA -2.978 54.749 58.000 -0.456 0.000 1.209 99 F CB -0.139 38.432 39.000 -0.716 0.000 1.440 99 F HN -0.574 7.709 8.300 -0.029 0.000 0.526 100 P HA -0.119 nan 4.420 nan 0.000 0.226 100 P C -0.432 176.838 177.300 -0.050 0.000 1.153 100 P CA 1.375 64.377 63.100 -0.164 0.000 0.777 100 P CB -0.269 31.369 31.700 -0.104 0.000 0.794 101 W N -5.720 115.617 121.300 0.062 0.000 2.678 101 W HA -0.058 nan 4.660 nan 0.000 0.256 101 W C -0.751 175.838 176.519 0.116 0.000 1.280 101 W CA -1.475 55.909 57.345 0.064 0.000 1.345 101 W CB -0.366 29.117 29.460 0.038 0.000 1.118 101 W HN -0.591 7.471 8.180 -0.108 0.053 0.629 102 I N 2.356 122.786 120.570 -0.234 0.000 2.529 102 I HA -0.059 nan 4.170 nan 0.000 0.284 102 I C -0.591 175.590 176.117 0.107 0.000 1.082 102 I CA -0.240 61.006 61.300 -0.090 0.000 1.406 102 I CB 1.325 39.015 38.000 -0.516 0.000 1.405 102 I HN -0.742 7.040 8.210 -0.647 0.040 0.548 103 S N 7.773 123.550 115.700 0.129 0.000 2.584 103 S HA 0.050 nan 4.470 nan 0.000 0.270 103 S C 1.021 175.536 174.600 -0.141 0.000 1.346 103 S CA -0.104 58.120 58.200 0.040 0.000 1.018 103 S CB 0.537 63.744 63.200 0.011 0.000 0.899 103 S HN 0.179 8.945 8.310 0.228 -0.320 0.542 104 S N 4.692 120.272 115.700 -0.200 0.000 2.348 104 S HA -0.322 nan 4.470 nan 0.000 0.221 104 S C 2.107 176.267 174.600 -0.734 0.000 1.033 104 S CA 4.893 62.734 58.200 -0.599 0.000 1.010 104 S CB -0.256 62.697 63.200 -0.410 0.000 0.891 104 S HN 0.136 8.791 8.310 -0.072 -0.388 0.442 105 G N 0.216 108.853 108.800 -0.271 0.000 2.440 105 G HA2 -0.352 nan 3.960 nan 0.000 0.218 105 G HA3 -0.352 nan 3.960 nan 0.000 0.218 105 G C 0.808 175.710 174.900 0.003 0.000 1.154 105 G CA 2.038 47.103 45.100 -0.059 0.000 0.767 105 G HN -0.329 7.851 8.290 -0.183 0.000 0.552 106 D N 2.527 122.939 120.400 0.019 0.000 2.117 106 D HA -0.184 nan 4.640 nan 0.000 0.197 106 D C 2.196 178.601 176.300 0.174 0.000 0.987 106 D CA 3.093 57.255 54.000 0.269 0.000 0.829 106 D CB -0.246 40.778 40.800 0.374 0.000 0.961 106 D HN -0.705 7.643 8.370 -0.038 0.000 0.460 107 L N 0.319 121.451 121.223 -0.152 0.000 2.027 107 L HA -0.279 nan 4.340 nan 0.000 0.206 107 L C 1.559 178.362 176.870 -0.112 0.000 1.074 107 L CA 3.396 58.067 54.840 -0.282 0.000 0.745 107 L CB -0.211 41.485 42.059 -0.605 0.000 0.898 107 L HN -0.275 7.799 8.230 -0.259 0.000 0.433 108 F N -2.845 117.097 119.950 -0.015 0.000 2.171 108 F HA -0.341 nan 4.527 nan 0.000 0.300 108 F C 2.422 178.246 175.800 0.039 0.000 1.090 108 F CA 1.789 59.799 58.000 0.016 0.000 1.293 108 F CB -1.187 37.840 39.000 0.045 0.000 1.013 108 F HN 0.465 8.439 8.300 -0.542 0.000 0.486 109 S N -0.024 115.837 115.700 0.269 0.000 2.377 109 S HA -0.286 nan 4.470 nan 0.000 0.223 109 S C 2.114 176.815 174.600 0.169 0.000 1.030 109 S CA 2.920 61.273 58.200 0.255 0.000 0.970 109 S CB 0.420 63.832 63.200 0.354 0.000 0.830 109 S HN -0.224 8.240 8.310 0.255 0.000 0.473 110 L N 3.080 124.302 121.223 -0.003 0.000 2.079 110 L HA -0.260 nan 4.340 nan 0.000 0.210 110 L C 1.706 178.429 176.870 -0.244 0.000 1.081 110 L CA 2.347 56.922 54.840 -0.442 0.000 0.752 110 L CB -0.558 41.075 42.059 -0.709 0.000 0.896 110 L HN 0.158 8.465 8.230 0.129 0.000 0.433 111 G N -2.602 106.130 108.800 -0.114 0.000 2.469 111 G HA2 -0.438 nan 3.960 nan 0.000 0.219 111 G HA3 -0.438 nan 3.960 nan 0.000 0.219 111 G C 1.009 175.901 174.900 -0.014 0.000 1.150 111 G CA 2.557 47.616 45.100 -0.069 0.000 0.763 111 G HN 0.360 8.610 8.290 -0.067 0.000 0.561 112 G N 0.646 109.508 108.800 0.102 0.000 2.402 112 G HA2 -0.282 nan 3.960 nan 0.000 0.216 112 G HA3 -0.282 nan 3.960 nan 0.000 0.216 112 G C 1.066 176.123 174.900 0.261 0.000 1.162 112 G CA 1.711 46.956 45.100 0.242 0.000 0.777 112 G HN -0.719 7.643 8.290 0.120 0.000 0.539 113 V N 2.658 122.706 119.914 0.223 0.000 2.343 113 V HA -0.445 nan 4.120 nan 0.000 0.247 113 V C 2.248 178.391 176.094 0.081 0.000 1.051 113 V CA 4.400 66.827 62.300 0.212 0.000 1.036 113 V CB -0.707 31.214 31.823 0.165 0.000 0.654 113 V HN -0.246 8.043 8.190 0.164 0.000 0.451 114 T N 0.864 115.352 114.554 -0.109 0.000 2.777 114 T HA -0.271 nan 4.350 nan 0.000 0.266 114 T C 1.373 175.941 174.700 -0.219 0.000 1.040 114 T CA 4.940 66.810 62.100 -0.383 0.000 1.141 114 T CB -0.648 67.765 68.868 -0.759 0.000 0.868 114 T HN 0.207 8.362 8.240 -0.142 0.000 0.444 115 A N 1.084 123.824 122.820 -0.132 0.000 1.877 115 A HA -0.222 nan 4.320 nan 0.000 0.216 115 A C 1.655 179.192 177.584 -0.079 0.000 1.186 115 A CA 3.347 55.331 52.037 -0.089 0.000 0.620 115 A CB -0.851 18.116 19.000 -0.055 0.000 0.822 115 A HN -0.158 7.925 8.150 -0.112 0.000 0.443 116 V N -0.888 118.959 119.914 -0.110 0.000 2.287 116 V HA -0.559 nan 4.120 nan 0.000 0.248 116 V C 2.428 178.369 176.094 -0.255 0.000 1.053 116 V CA 4.653 66.785 62.300 -0.281 0.000 1.027 116 V CB -0.888 30.652 31.823 -0.472 0.000 0.646 116 V HN -0.205 7.948 8.190 -0.061 0.000 0.447 117 Q N -2.267 117.468 119.800 -0.109 0.000 2.172 117 Q HA -0.272 nan 4.340 nan 0.000 0.200 117 Q C 3.145 179.157 176.000 0.019 0.000 0.964 117 Q CA 3.013 58.796 55.803 -0.033 0.000 0.855 117 Q CB -0.122 28.696 28.738 0.132 0.000 0.918 117 Q HN -0.245 7.997 8.270 -0.048 0.000 0.444 118 E N -0.030 120.181 120.200 0.018 0.000 2.274 118 E HA -0.189 nan 4.350 nan 0.000 0.194 118 E C 1.235 177.852 176.600 0.028 0.000 0.996 118 E CA 1.772 58.190 56.400 0.031 0.000 0.840 118 E CB -0.191 29.502 29.700 -0.012 0.000 0.772 118 E HN -0.067 8.284 8.360 -0.015 0.000 0.491 119 M N -1.500 118.106 119.600 0.010 0.000 2.652 119 M HA 0.078 nan 4.480 nan 0.000 0.226 119 M C -1.306 175.041 176.300 0.078 0.000 1.244 119 M CA 0.229 55.559 55.300 0.050 0.000 0.986 119 M CB -0.455 32.186 32.600 0.069 0.000 1.666 119 M HN -0.240 8.018 8.290 -0.024 0.017 0.460 120 Q N -5.343 114.490 119.800 0.056 0.000 2.494 120 Q HA -0.426 nan 4.340 nan 0.000 0.266 120 Q C -0.177 175.851 176.000 0.046 0.000 1.053 120 Q CA 0.928 56.782 55.803 0.085 0.000 1.029 120 Q CB -3.173 25.654 28.738 0.148 0.000 1.423 120 Q HN -0.165 8.000 8.270 0.040 0.129 0.516 121 G N 1.258 109.940 108.800 -0.197 0.000 2.588 121 G HA2 0.140 nan 3.960 nan 0.000 0.278 121 G HA3 0.140 nan 3.960 nan 0.000 0.278 121 G C -1.988 172.507 174.900 -0.675 0.000 1.307 121 G CA -1.199 43.462 45.100 -0.732 0.000 1.016 121 G HN -0.138 8.012 8.290 -0.175 0.035 0.503 122 P HA -0.021 nan 4.420 nan 0.000 0.272 122 P C -1.172 175.985 177.300 -0.238 0.000 1.240 122 P CA -0.575 62.258 63.100 -0.444 0.000 0.791 122 P CB 0.833 32.276 31.700 -0.429 0.000 0.978 123 K N -0.422 119.925 120.400 -0.087 0.000 2.416 123 K HA -0.060 nan 4.320 nan 0.000 0.283 123 K C -0.418 176.183 176.600 0.001 0.000 1.037 123 K CA -0.451 55.825 56.287 -0.019 0.000 0.995 123 K CB -0.139 32.364 32.500 0.004 0.000 0.938 123 K HN 0.032 8.252 8.250 -0.050 0.000 0.475 124 I N 6.251 126.860 120.570 0.066 0.000 2.306 124 I HA 0.203 nan 4.170 nan 0.000 0.288 124 I C -1.418 174.791 176.117 0.153 0.000 1.036 124 I CA -4.541 56.835 61.300 0.127 0.000 1.221 124 I CB -1.462 36.686 38.000 0.246 0.000 1.385 124 I HN -0.236 8.275 8.210 0.096 -0.244 0.472 125 P HA -0.084 nan 4.420 nan 0.000 0.262 125 P C -2.188 175.202 177.300 0.149 0.000 1.182 125 P CA 0.035 63.168 63.100 0.056 0.000 0.761 125 P CB 0.110 31.785 31.700 -0.042 0.000 0.795 126 W N 6.303 127.577 121.300 -0.044 0.000 2.819 126 W HA 0.234 nan 4.660 nan 0.000 0.337 126 W C -2.621 173.808 176.519 -0.150 0.000 1.077 126 W CA -1.436 55.906 57.345 -0.006 0.000 1.226 126 W CB 3.867 33.470 29.460 0.238 0.000 1.419 126 W HN 0.471 8.797 8.180 0.243 0.000 0.502 127 R N 4.001 123.915 120.500 -0.976 0.000 2.445 127 R HA 0.531 nan 4.340 nan 0.000 0.308 127 R C -1.122 174.272 176.300 -1.510 0.000 0.961 127 R CA -1.601 53.844 56.100 -1.092 0.000 0.862 127 R CB 3.174 32.848 30.300 -1.043 0.000 1.144 127 R HN 0.227 7.820 8.270 -1.129 0.000 0.447 128 C N -1.406 117.184 119.300 -1.182 0.000 2.470 128 C HA 0.473 nan 4.460 nan 0.000 0.350 128 C C 0.695 175.550 174.990 -0.225 0.000 1.341 128 C CA -1.840 56.690 59.018 -0.814 0.000 2.440 128 C CB 0.589 28.039 27.740 -0.483 0.000 2.295 128 C HN 0.611 8.267 8.230 -0.956 0.000 0.645 129 G N -0.607 108.177 108.800 -0.028 0.000 2.260 129 G HA2 -0.231 nan 3.960 nan 0.000 0.179 129 G HA3 -0.231 nan 3.960 nan 0.000 0.179 129 G C -1.269 173.617 174.900 -0.023 0.000 1.002 129 G CA -0.259 44.873 45.100 0.053 0.000 0.677 129 G HN 0.234 8.929 8.290 0.033 -0.385 0.486 130 R N 0.607 121.038 120.500 -0.115 0.000 2.679 130 R HA 0.068 nan 4.340 nan 0.000 0.268 130 R C -0.692 175.329 176.300 -0.465 0.000 1.044 130 R CA 1.029 56.879 56.100 -0.417 0.000 1.105 130 R CB 0.683 30.813 30.300 -0.284 0.000 0.989 130 R HN -0.469 8.025 8.270 -0.078 -0.270 0.447 131 V N 3.649 123.027 119.914 -0.892 0.000 2.540 131 V HA 0.061 nan 4.120 nan 0.000 0.302 131 V C -1.025 174.887 176.094 -0.303 0.000 1.035 131 V CA -1.420 60.646 62.300 -0.390 0.000 0.873 131 V CB 2.374 34.102 31.823 -0.157 0.000 0.992 131 V HN -0.170 6.846 8.190 -1.957 0.000 0.428 132 D N 5.554 125.896 120.400 -0.096 0.000 2.434 132 D HA -0.053 nan 4.640 nan 0.000 0.252 132 D C -0.078 176.276 176.300 0.091 0.000 1.185 132 D CA 0.874 54.876 54.000 0.003 0.000 0.886 132 D CB 0.119 40.944 40.800 0.041 0.000 1.148 132 D HN 0.042 8.379 8.370 -0.054 0.000 0.483 133 T N 1.116 115.765 114.554 0.158 0.000 2.936 133 T HA 0.502 nan 4.350 nan 0.000 0.282 133 T C -1.675 173.181 174.700 0.261 0.000 1.003 133 T CA -3.184 59.041 62.100 0.208 0.000 1.005 133 T CB 0.150 69.161 68.868 0.239 0.000 1.097 133 T HN -0.223 8.006 8.240 0.161 0.108 0.532 134 P HA 0.231 nan 4.420 nan 0.000 0.274 134 P C 0.763 177.921 177.300 -0.237 0.000 1.256 134 P CA -1.187 61.950 63.100 0.063 0.000 0.795 134 P CB 0.775 32.482 31.700 0.012 0.000 1.038 135 E N 0.742 120.464 120.200 -0.797 0.000 2.209 135 E HA -0.368 nan 4.350 nan 0.000 0.196 135 E C 1.471 177.749 176.600 -0.537 0.000 0.993 135 E CA 3.494 59.050 56.400 -1.406 0.000 0.819 135 E CB -0.141 28.828 29.700 -1.219 0.000 0.745 135 E HN 0.504 8.533 8.360 -0.552 0.000 0.477 136 D N -5.729 114.510 120.400 -0.269 0.000 2.349 136 D HA -0.114 nan 4.640 nan 0.000 0.224 136 D C 1.029 177.299 176.300 -0.050 0.000 1.029 136 D CA 1.192 55.115 54.000 -0.127 0.000 0.879 136 D CB -0.860 39.894 40.800 -0.078 0.000 0.906 136 D HN 0.099 8.311 8.370 -0.245 0.011 0.528 137 T N -3.542 111.000 114.554 -0.020 0.000 3.129 137 T HA 0.094 nan 4.350 nan 0.000 0.251 137 T C 0.434 175.190 174.700 0.094 0.000 1.117 137 T CA -0.131 62.010 62.100 0.068 0.000 1.034 137 T CB 0.315 69.265 68.868 0.135 0.000 0.968 137 T HN -0.396 7.648 8.240 -0.061 0.159 0.526 138 T N 7.209 121.801 114.554 0.064 0.000 2.829 138 T HA 0.165 nan 4.350 nan 0.000 0.293 138 T C -1.680 173.078 174.700 0.097 0.000 0.970 138 T CA -0.329 61.846 62.100 0.125 0.000 1.168 138 T CB -0.436 68.502 68.868 0.117 0.000 0.911 138 T HN -0.722 7.434 8.240 -0.023 0.070 0.535 139 P HA -0.002 nan 4.420 nan 0.000 0.271 139 P C -1.638 175.703 177.300 0.069 0.000 1.216 139 P CA -0.345 62.805 63.100 0.084 0.000 0.776 139 P CB 0.460 32.214 31.700 0.090 0.000 0.881 140 D N 1.251 121.682 120.400 0.050 0.000 2.378 140 D HA -0.129 nan 4.640 nan 0.000 0.238 140 D C 0.271 176.599 176.300 0.047 0.000 1.180 140 D CA 0.572 54.598 54.000 0.044 0.000 0.895 140 D CB 0.792 41.611 40.800 0.032 0.000 1.192 140 D HN 0.140 8.536 8.370 0.044 0.000 0.438 141 N N -0.887 117.840 118.700 0.045 0.000 2.453 141 N HA -0.153 nan 4.740 nan 0.000 0.253 141 N C 1.088 176.624 175.510 0.044 0.000 1.252 141 N CA 0.794 53.871 53.050 0.044 0.000 0.917 141 N CB 0.089 38.602 38.487 0.042 0.000 1.117 141 N HN 0.231 8.636 8.380 0.043 0.000 0.442 142 G N 0.998 109.825 108.800 0.045 0.000 2.192 142 G HA2 -0.210 nan 3.960 nan 0.000 0.193 142 G HA3 -0.210 nan 3.960 nan 0.000 0.193 142 G C -0.047 174.902 174.900 0.080 0.000 0.999 142 G CA 0.038 45.173 45.100 0.059 0.000 0.659 142 G HN 0.369 8.682 8.290 0.038 0.000 0.503 143 R N -1.135 119.406 120.500 0.070 0.000 2.297 143 R HA -0.026 nan 4.340 nan 0.000 0.197 143 R C -0.311 176.104 176.300 0.192 0.000 0.943 143 R CA 0.218 56.380 56.100 0.103 0.000 1.038 143 R CB 0.528 30.859 30.300 0.050 0.000 0.957 143 R HN -0.028 8.270 8.270 0.048 0.000 0.484 144 L N -0.750 120.522 121.223 0.082 0.000 2.357 144 L HA 0.239 nan 4.340 nan 0.000 0.273 144 L C -1.827 175.004 176.870 -0.065 0.000 1.080 144 L CA -2.822 52.010 54.840 -0.014 0.000 0.803 144 L CB 0.364 42.258 42.059 -0.276 0.000 1.174 144 L HN -0.442 7.747 8.230 0.042 0.067 0.443 145 P HA 0.059 nan 4.420 nan 0.000 0.275 145 P C -1.563 175.690 177.300 -0.079 0.000 1.228 145 P CA -0.675 62.139 63.100 -0.478 0.000 0.786 145 P CB 0.493 31.534 31.700 -1.097 0.000 0.927 146 D N 3.677 124.076 120.400 -0.002 0.000 2.341 146 D HA 0.064 nan 4.640 nan 0.000 0.245 146 D C 0.139 176.384 176.300 -0.092 0.000 1.106 146 D CA -0.109 53.849 54.000 -0.070 0.000 0.905 146 D CB 0.798 41.490 40.800 -0.180 0.000 1.202 146 D HN -0.054 8.417 8.370 0.168 0.000 0.426 147 A N 0.042 122.872 122.820 0.017 0.000 2.132 147 A HA -0.016 nan 4.320 nan 0.000 0.213 147 A C -0.496 177.101 177.584 0.022 0.000 1.154 147 A CA 1.620 53.668 52.037 0.019 0.000 0.753 147 A CB 0.385 19.390 19.000 0.009 0.000 0.826 147 A HN 0.204 8.406 8.150 0.086 0.000 0.469 148 D N -4.732 115.688 120.400 0.034 0.000 2.706 148 D HA 0.054 nan 4.640 nan 0.000 0.236 148 D C -1.122 175.157 176.300 -0.035 0.000 1.231 148 D CA -0.750 53.279 54.000 0.050 0.000 0.828 148 D CB -1.719 39.129 40.800 0.079 0.000 1.015 148 D HN 0.232 8.608 8.370 0.010 0.000 0.484 149 K N -1.165 119.182 120.400 -0.089 0.000 2.208 149 K HA 0.266 nan 4.320 nan 0.000 0.241 149 K C -1.877 174.751 176.600 0.045 0.000 1.087 149 K CA -1.865 54.344 56.287 -0.129 0.000 0.883 149 K CB 2.193 34.346 32.500 -0.579 0.000 1.360 149 K HN -0.759 7.404 8.250 -0.051 0.056 0.496 150 D N -4.143 116.333 120.400 0.127 0.000 2.592 150 D HA 0.170 nan 4.640 nan 0.000 0.259 150 D C 0.374 176.831 176.300 0.261 0.000 1.144 150 D CA -1.325 52.789 54.000 0.190 0.000 1.080 150 D CB 2.178 43.079 40.800 0.169 0.000 1.225 150 D HN -0.217 8.232 8.370 0.131 0.000 0.619 151 A N -1.860 121.110 122.820 0.250 0.000 2.070 151 A HA -0.214 nan 4.320 nan 0.000 0.220 151 A C 1.630 179.409 177.584 0.326 0.000 1.159 151 A CA 2.978 55.221 52.037 0.343 0.000 0.656 151 A CB -0.390 18.799 19.000 0.315 0.000 0.800 151 A HN 0.338 8.612 8.150 0.206 0.000 0.453 152 G N -1.168 107.774 108.800 0.237 0.000 2.394 152 G HA2 -0.270 nan 3.960 nan 0.000 0.215 152 G HA3 -0.270 nan 3.960 nan 0.000 0.215 152 G C 0.762 175.807 174.900 0.242 0.000 1.165 152 G CA 1.288 46.503 45.100 0.192 0.000 0.784 152 G HN -0.298 8.315 8.290 0.213 -0.195 0.535 153 Y N 3.094 123.493 120.300 0.166 0.000 2.128 153 Y HA -0.473 nan 4.550 nan 0.000 0.284 153 Y C 1.804 177.856 175.900 0.253 0.000 1.154 153 Y CA 3.925 62.133 58.100 0.181 0.000 1.149 153 Y CB 0.186 38.734 38.460 0.146 0.000 0.976 153 Y HN -0.442 8.365 8.280 0.386 -0.295 0.505 154 V N -0.694 119.489 119.914 0.448 0.000 2.287 154 V HA -0.573 nan 4.120 nan 0.000 0.248 154 V C 2.049 178.437 176.094 0.489 0.000 1.053 154 V CA 4.505 67.086 62.300 0.468 0.000 1.027 154 V CB -1.114 30.979 31.823 0.449 0.000 0.646 154 V HN -0.206 8.297 8.190 0.522 0.000 0.447 155 R N -1.706 119.046 120.500 0.421 0.000 2.083 155 R HA -0.431 nan 4.340 nan 0.000 0.237 155 R C 2.090 178.522 176.300 0.220 0.000 1.137 155 R CA 3.831 60.130 56.100 0.332 0.000 0.951 155 R CB -0.185 30.226 30.300 0.185 0.000 0.851 155 R HN -0.225 8.291 8.270 0.410 0.000 0.434 156 T N 1.523 116.156 114.554 0.131 0.000 2.746 156 T HA -0.267 nan 4.350 nan 0.000 0.267 156 T C 1.954 176.642 174.700 -0.020 0.000 1.039 156 T CA 4.814 66.940 62.100 0.042 0.000 1.142 156 T CB -0.564 68.310 68.868 0.010 0.000 0.866 156 T HN -0.642 7.680 8.240 0.136 0.000 0.444 157 F N 2.774 122.602 119.950 -0.203 0.000 2.069 157 F HA -0.428 nan 4.527 nan 0.000 0.298 157 F C 1.459 177.161 175.800 -0.164 0.000 1.113 157 F CA 3.403 61.222 58.000 -0.303 0.000 1.214 157 F CB 0.285 38.966 39.000 -0.533 0.000 0.978 157 F HN -0.029 8.262 8.300 -0.014 0.000 0.474 158 F N -1.824 118.159 119.950 0.054 0.000 2.502 158 F HA -0.259 nan 4.527 nan 0.000 0.298 158 F C 1.669 177.452 175.800 -0.027 0.000 1.111 158 F CA 2.843 60.861 58.000 0.030 0.000 1.445 158 F CB -0.365 38.749 39.000 0.191 0.000 1.081 158 F HN -0.231 8.335 8.300 0.443 0.000 0.558 159 Q N 0.642 120.507 119.800 0.107 0.000 2.124 159 Q HA -0.396 nan 4.340 nan 0.000 0.202 159 Q C 1.891 177.856 176.000 -0.058 0.000 0.977 159 Q CA 3.323 59.151 55.803 0.042 0.000 0.850 159 Q CB -0.569 28.188 28.738 0.031 0.000 0.901 159 Q HN -0.153 8.171 8.270 0.127 0.022 0.429 160 R N -1.534 118.859 120.500 -0.179 0.000 2.241 160 R HA -0.195 nan 4.340 nan 0.000 0.224 160 R C 0.991 177.148 176.300 -0.239 0.000 1.101 160 R CA 2.708 58.635 56.100 -0.289 0.000 0.995 160 R CB 0.018 30.091 30.300 -0.379 0.000 0.870 160 R HN -0.579 7.542 8.270 -0.230 0.012 0.463 161 L N -4.252 116.963 121.223 -0.013 0.000 2.910 161 L HA 0.093 nan 4.340 nan 0.000 0.252 161 L C -1.294 175.794 176.870 0.363 0.000 1.195 161 L CA -1.315 53.721 54.840 0.326 0.000 1.003 161 L CB -0.580 41.683 42.059 0.341 0.000 1.328 161 L HN -0.717 7.322 8.230 -0.032 0.172 0.540 162 N N -1.477 117.347 118.700 0.206 0.000 2.953 162 N HA -0.411 nan 4.740 nan 0.000 0.293 162 N C -0.645 174.959 175.510 0.157 0.000 1.029 162 N CA 0.897 54.040 53.050 0.156 0.000 0.860 162 N CB -1.064 37.495 38.487 0.119 0.000 0.940 162 N HN -0.483 7.861 8.380 0.088 0.089 0.610 163 M N 0.006 119.717 119.600 0.186 0.000 2.157 163 M HA 0.138 nan 4.480 nan 0.000 0.354 163 M C -0.340 176.030 176.300 0.116 0.000 1.170 163 M CA -1.631 53.756 55.300 0.145 0.000 1.060 163 M CB -0.245 32.465 32.600 0.183 0.000 1.615 163 M HN -0.079 8.328 8.290 0.225 0.018 0.460 164 N N 4.673 123.422 118.700 0.081 0.000 2.418 164 N HA 0.090 nan 4.740 nan 0.000 0.283 164 N C 0.019 175.591 175.510 0.103 0.000 1.267 164 N CA -1.047 52.055 53.050 0.087 0.000 0.975 164 N CB 0.597 39.123 38.487 0.065 0.000 1.167 164 N HN 0.470 9.207 8.380 0.067 -0.316 0.581 165 D N -0.075 120.403 120.400 0.131 0.000 2.104 165 D HA -0.327 nan 4.640 nan 0.000 0.194 165 D C 2.335 178.747 176.300 0.186 0.000 0.994 165 D CA 4.577 58.721 54.000 0.239 0.000 0.830 165 D CB -0.405 40.496 40.800 0.168 0.000 0.959 165 D HN 0.449 8.877 8.370 0.097 0.000 0.452 166 R N 0.057 120.629 120.500 0.119 0.000 2.081 166 R HA -0.357 nan 4.340 nan 0.000 0.235 166 R C 1.913 178.296 176.300 0.138 0.000 1.131 166 R CA 3.167 59.341 56.100 0.124 0.000 0.960 166 R CB -0.237 30.123 30.300 0.100 0.000 0.856 166 R HN -0.302 8.099 8.270 0.097 -0.073 0.436 167 E N -0.415 119.826 120.200 0.069 0.000 2.110 167 E HA -0.348 nan 4.350 nan 0.000 0.193 167 E C 2.722 179.256 176.600 -0.110 0.000 0.988 167 E CA 3.148 59.551 56.400 0.006 0.000 0.804 167 E CB -0.193 29.500 29.700 -0.011 0.000 0.745 167 E HN -0.485 8.193 8.360 0.066 -0.279 0.458 168 V N 0.575 120.378 119.914 -0.186 0.000 2.358 168 V HA -0.304 nan 4.120 nan 0.000 0.246 168 V C 2.074 177.989 176.094 -0.298 0.000 1.047 168 V CA 4.555 66.576 62.300 -0.466 0.000 1.035 168 V CB -0.783 30.805 31.823 -0.391 0.000 0.658 168 V HN 0.137 8.279 8.190 -0.080 0.000 0.452 169 V N -1.085 118.785 119.914 -0.074 0.000 2.453 169 V HA -0.361 nan 4.120 nan 0.000 0.247 169 V C 1.768 178.064 176.094 0.336 0.000 1.048 169 V CA 4.081 66.437 62.300 0.094 0.000 1.049 169 V CB -1.524 30.402 31.823 0.171 0.000 0.672 169 V HN -0.012 8.172 8.190 -0.010 0.000 0.457 170 A N 0.436 123.480 122.820 0.373 0.000 1.858 170 A HA -0.220 nan 4.320 nan 0.000 0.216 170 A C 2.173 180.001 177.584 0.407 0.000 1.190 170 A CA 3.375 55.656 52.037 0.406 0.000 0.617 170 A CB -0.713 18.440 19.000 0.255 0.000 0.827 170 A HN 0.366 8.694 8.150 0.297 0.000 0.443 171 L N -1.670 119.610 121.223 0.095 0.000 2.127 171 L HA -0.276 nan 4.340 nan 0.000 0.211 171 L C 2.489 179.287 176.870 -0.120 0.000 1.089 171 L CA 2.565 57.406 54.840 0.001 0.000 0.757 171 L CB -0.524 41.396 42.059 -0.231 0.000 0.899 171 L HN 0.018 8.240 8.230 -0.013 0.000 0.434 172 M N -1.022 118.395 119.600 -0.305 0.000 2.476 172 M HA -0.129 nan 4.480 nan 0.000 0.262 172 M C 2.070 177.698 176.300 -1.121 0.000 1.079 172 M CA 1.148 56.029 55.300 -0.699 0.000 1.104 172 M CB -0.634 31.623 32.600 -0.571 0.000 1.409 172 M HN -0.319 7.817 8.290 -0.215 0.024 0.467 173 G N -1.707 106.712 108.800 -0.635 0.000 2.498 173 G HA2 -0.285 nan 3.960 nan 0.000 0.219 173 G HA3 -0.285 nan 3.960 nan 0.000 0.219 173 G C 0.129 174.633 174.900 -0.660 0.000 1.119 173 G CA 1.622 46.241 45.100 -0.802 0.000 0.766 173 G HN -0.116 7.967 8.290 -0.113 0.140 0.552 174 A N 1.376 123.937 122.820 -0.431 0.000 2.178 174 A HA -0.222 nan 4.320 nan 0.000 0.218 174 A C 1.130 178.479 177.584 -0.393 0.000 1.157 174 A CA 1.816 53.651 52.037 -0.336 0.000 0.689 174 A CB -0.570 18.391 19.000 -0.065 0.000 0.787 174 A HN -0.549 7.416 8.150 -0.246 0.038 0.465 175 H N -1.048 117.471 119.070 -0.918 0.000 2.555 175 H HA -0.059 nan 4.556 nan 0.000 0.283 175 H C 0.160 174.810 175.328 -1.130 0.000 1.037 175 H CA -0.206 55.069 56.048 -1.287 0.000 1.169 175 H CB -0.392 28.420 29.762 -1.584 0.000 1.375 175 H HN -0.200 7.336 8.280 -0.954 0.172 0.582 176 A N -0.748 121.748 122.820 -0.540 0.000 2.169 176 A HA -0.033 nan 4.320 nan 0.000 0.212 176 A C -0.585 176.983 177.584 -0.026 0.000 1.153 176 A CA 1.003 52.896 52.037 -0.240 0.000 0.756 176 A CB 0.896 19.744 19.000 -0.252 0.000 0.813 176 A HN -0.223 7.525 8.150 -0.588 0.049 0.471 177 L N -1.740 119.456 121.223 -0.046 0.000 2.292 177 L HA 0.010 nan 4.340 nan 0.000 0.284 177 L C 0.541 177.614 176.870 0.338 0.000 1.065 177 L CA -0.389 54.525 54.840 0.123 0.000 0.806 177 L CB 0.227 42.321 42.059 0.059 0.000 1.175 177 L HN -0.694 7.243 8.230 -0.220 0.161 0.431 178 G N 3.018 111.944 108.800 0.210 0.000 2.527 178 G HA2 -0.407 nan 3.960 nan 0.000 0.268 178 G HA3 -0.407 nan 3.960 nan 0.000 0.268 178 G C -2.482 172.343 174.900 -0.125 0.000 1.175 178 G CA 0.830 46.000 45.100 0.117 0.000 0.962 178 G HN 0.778 9.039 8.290 0.143 0.114 0.560 179 K N -1.363 118.823 120.400 -0.357 0.000 2.672 179 K HA 0.436 nan 4.320 nan 0.000 0.295 179 K C -2.066 173.949 176.600 -0.976 0.000 1.042 179 K CA -1.446 54.273 56.287 -0.946 0.000 0.869 179 K CB 2.856 34.961 32.500 -0.659 0.000 1.541 179 K HN -0.256 7.925 8.250 -0.115 0.000 0.396 180 T N -2.989 110.942 114.554 -1.039 0.000 2.928 180 T HA 0.474 nan 4.350 nan 0.000 0.284 180 T C -0.127 174.194 174.700 -0.633 0.000 1.008 180 T CA -1.627 60.094 62.100 -0.632 0.000 1.057 180 T CB 1.250 69.887 68.868 -0.385 0.000 1.018 180 T HN 0.337 7.914 8.240 -1.106 0.000 0.493 181 H N 1.612 120.630 119.070 -0.085 0.000 2.658 181 H HA 0.414 nan 4.556 nan 0.000 0.337 181 H C -0.093 175.221 175.328 -0.023 0.000 1.009 181 H CA -0.865 55.144 56.048 -0.064 0.000 1.231 181 H CB 1.916 31.643 29.762 -0.059 0.000 1.508 181 H HN 0.351 8.611 8.280 -0.032 0.000 0.517 182 L N 6.031 127.285 121.223 0.051 0.000 2.043 182 L HA -0.398 nan 4.340 nan 0.000 0.212 182 L C 0.879 177.763 176.870 0.023 0.000 1.075 182 L CA 3.848 58.700 54.840 0.019 0.000 0.752 182 L CB 0.248 42.301 42.059 -0.009 0.000 0.891 182 L HN 0.070 8.612 8.230 0.022 -0.299 0.432 183 K N -2.445 117.976 120.400 0.034 0.000 2.283 183 K HA -0.285 nan 4.320 nan 0.000 0.202 183 K C 0.936 177.556 176.600 0.033 0.000 1.048 183 K CA 2.481 58.781 56.287 0.022 0.000 0.948 183 K CB -0.447 32.060 32.500 0.012 0.000 0.742 183 K HN 0.241 8.516 8.250 0.043 0.000 0.458 184 N N -2.434 116.306 118.700 0.067 0.000 2.278 184 N HA -0.035 nan 4.740 nan 0.000 0.181 184 N C 0.932 176.498 175.510 0.094 0.000 1.023 184 N CA 2.194 55.288 53.050 0.075 0.000 0.862 184 N CB 0.824 39.374 38.487 0.106 0.000 1.003 184 N HN -0.505 7.803 8.380 0.101 0.133 0.431 185 S N -4.189 111.584 115.700 0.121 0.000 2.666 185 S HA 0.156 nan 4.470 nan 0.000 0.239 185 S C 0.622 175.250 174.600 0.047 0.000 1.031 185 S CA -0.128 58.164 58.200 0.155 0.000 1.015 185 S CB 2.723 66.100 63.200 0.297 0.000 0.981 185 S HN -0.288 8.098 8.310 0.127 0.000 0.547 186 G N 1.590 110.355 108.800 -0.058 0.000 2.148 186 G HA2 -0.385 nan 3.960 nan 0.000 0.254 186 G HA3 -0.385 nan 3.960 nan 0.000 0.254 186 G C -1.687 172.925 174.900 -0.481 0.000 0.981 186 G CA 0.970 45.917 45.100 -0.255 0.000 0.670 186 G HN -0.073 8.210 8.290 -0.011 0.000 0.528 187 Y N -2.460 117.836 120.300 -0.005 0.000 2.499 187 Y HA 0.253 nan 4.550 nan 0.000 0.347 187 Y C -1.719 174.134 175.900 -0.078 0.000 0.987 187 Y CA -1.864 56.219 58.100 -0.028 0.000 1.044 187 Y CB 2.757 41.211 38.460 -0.011 0.000 1.245 187 Y HN -0.908 7.361 8.280 0.099 0.070 0.461 188 E N 1.420 121.658 120.200 0.063 0.000 2.290 188 E HA 0.245 nan 4.350 nan 0.000 0.274 188 E C -1.428 175.121 176.600 -0.085 0.000 0.889 188 E CA -1.422 54.949 56.400 -0.049 0.000 0.760 188 E CB 3.419 33.097 29.700 -0.037 0.000 1.206 188 E HN -0.020 8.657 8.360 0.115 -0.247 0.419 189 G N 3.794 112.476 108.800 -0.197 0.000 2.317 189 G HA2 -0.114 nan 3.960 nan 0.000 0.445 189 G HA3 -0.114 nan 3.960 nan 0.000 0.445 189 G C -3.283 171.415 174.900 -0.337 0.000 1.486 189 G CA -0.606 44.388 45.100 -0.177 0.000 0.991 189 G HN -0.354 7.762 8.290 -0.290 0.000 0.660 190 P HA 0.355 nan 4.420 nan 0.000 0.276 190 P C 0.062 177.254 177.300 -0.181 0.000 1.244 190 P CA -1.115 61.807 63.100 -0.297 0.000 0.801 190 P CB 0.863 32.504 31.700 -0.099 0.000 1.006 191 W N -0.461 120.803 121.300 -0.060 0.000 2.576 191 W HA -0.077 nan 4.660 nan 0.000 0.270 191 W C -0.284 176.095 176.519 -0.233 0.000 1.255 191 W CA 1.261 58.575 57.345 -0.052 0.000 1.314 191 W CB 0.697 30.112 29.460 -0.075 0.000 1.101 191 W HN -0.202 7.733 8.180 -0.409 0.000 0.595 192 G N -5.684 102.966 108.800 -0.250 0.000 2.500 192 G HA2 0.186 nan 3.960 nan 0.000 0.299 192 G HA3 0.186 nan 3.960 nan 0.000 0.299 192 G C -1.778 172.793 174.900 -0.548 0.000 1.242 192 G CA -0.257 44.233 45.100 -1.016 0.000 0.859 192 G HN -0.851 7.352 8.290 -0.088 0.035 0.481 193 A N -0.421 122.183 122.820 -0.359 0.000 2.044 193 A HA 0.182 nan 4.320 nan 0.000 0.213 193 A C 0.550 178.132 177.584 -0.004 0.000 1.169 193 A CA 1.059 53.079 52.037 -0.028 0.000 0.724 193 A CB 1.151 20.204 19.000 0.089 0.000 0.840 193 A HN 0.092 8.252 8.150 -0.471 -0.292 0.463 194 A N 0.128 122.934 122.820 -0.022 0.000 3.249 194 A HA 0.333 nan 4.320 nan 0.000 0.297 194 A C -1.167 176.427 177.584 0.016 0.000 1.302 194 A CA -1.024 51.020 52.037 0.010 0.000 1.074 194 A CB -1.063 17.946 19.000 0.016 0.000 1.132 194 A HN -0.465 7.935 8.150 -0.060 -0.286 0.575 195 N N -0.857 117.858 118.700 0.024 0.000 2.501 195 N HA -0.168 nan 4.740 nan 0.000 0.195 195 N C -1.197 174.349 175.510 0.060 0.000 1.213 195 N CA 0.886 53.964 53.050 0.047 0.000 0.864 195 N CB 0.007 38.517 38.487 0.039 0.000 0.999 195 N HN 0.200 8.541 8.380 0.017 0.048 0.454 196 N N -3.806 114.930 118.700 0.060 0.000 2.475 196 N HA 0.104 nan 4.740 nan 0.000 0.272 196 N C -1.720 173.838 175.510 0.080 0.000 1.482 196 N CA -0.811 52.281 53.050 0.070 0.000 0.863 196 N CB -0.504 38.024 38.487 0.068 0.000 1.400 196 N HN 0.031 8.398 8.380 0.056 0.047 0.489 197 V N -0.282 119.681 119.914 0.082 0.000 2.531 197 V HA 0.293 nan 4.120 nan 0.000 0.301 197 V C -1.844 174.325 176.094 0.125 0.000 1.034 197 V CA -0.615 61.752 62.300 0.110 0.000 0.865 197 V CB 2.154 34.035 31.823 0.098 0.000 0.995 197 V HN -0.870 7.358 8.190 0.064 0.000 0.424 198 F N 9.552 129.516 119.950 0.024 0.000 2.466 198 F HA 0.141 nan 4.527 nan 0.000 0.363 198 F C -1.061 174.864 175.800 0.208 0.000 1.109 198 F CA 0.922 58.923 58.000 0.002 0.000 1.161 198 F CB 0.511 39.394 39.000 -0.195 0.000 1.117 198 F HN 0.560 9.025 8.300 0.275 0.000 0.539 199 T N 2.646 117.190 114.554 -0.016 0.000 2.778 199 T HA 0.235 nan 4.350 nan 0.000 0.293 199 T C -1.232 173.545 174.700 0.127 0.000 1.144 199 T CA -2.131 60.077 62.100 0.181 0.000 1.010 199 T CB 2.841 71.759 68.868 0.084 0.000 1.325 199 T HN -0.269 7.801 8.240 -0.283 0.000 0.515 200 N N -2.204 116.579 118.700 0.139 0.000 2.362 200 N HA -0.014 nan 4.740 nan 0.000 0.211 200 N C 0.745 176.263 175.510 0.012 0.000 1.170 200 N CA -0.246 52.823 53.050 0.033 0.000 0.828 200 N CB -1.634 36.916 38.487 0.105 0.000 1.034 200 N HN 0.292 8.747 8.380 0.125 0.000 0.475 201 E N 1.209 121.379 120.200 -0.051 0.000 2.160 201 E HA -0.383 nan 4.350 nan 0.000 0.195 201 E C 0.867 177.408 176.600 -0.097 0.000 0.991 201 E CA 2.948 59.315 56.400 -0.055 0.000 0.810 201 E CB -0.245 29.415 29.700 -0.067 0.000 0.742 201 E HN -0.654 7.564 8.360 -0.055 0.109 0.466 202 F N -0.143 119.556 119.950 -0.419 0.000 2.120 202 F HA -0.429 nan 4.527 nan 0.000 0.300 202 F C 1.559 177.060 175.800 -0.499 0.000 1.095 202 F CA 3.469 61.132 58.000 -0.562 0.000 1.249 202 F CB -0.168 38.274 39.000 -0.930 0.000 0.995 202 F HN -0.139 8.023 8.300 -0.208 0.013 0.480 203 Y N -3.215 116.953 120.300 -0.220 0.000 2.206 203 Y HA -0.363 nan 4.550 nan 0.000 0.292 203 Y C 2.177 177.963 175.900 -0.190 0.000 1.123 203 Y CA 3.855 61.789 58.100 -0.276 0.000 1.142 203 Y CB -0.476 37.907 38.460 -0.129 0.000 1.006 203 Y HN -0.707 7.318 8.280 -0.385 0.023 0.518 204 L N -0.810 120.440 121.223 0.044 0.000 2.012 204 L HA -0.588 nan 4.340 nan 0.000 0.210 204 L C 2.083 178.974 176.870 0.034 0.000 1.073 204 L CA 3.309 58.168 54.840 0.031 0.000 0.748 204 L CB -0.672 41.408 42.059 0.036 0.000 0.891 204 L HN -0.666 7.612 8.230 0.080 0.000 0.431 205 N N -0.982 117.740 118.700 0.037 0.000 2.104 205 N HA -0.330 nan 4.740 nan 0.000 0.190 205 N C 2.600 178.316 175.510 0.343 0.000 1.024 205 N CA 3.030 56.191 53.050 0.186 0.000 0.853 205 N CB -0.548 38.083 38.487 0.240 0.000 1.008 205 N HN -0.111 8.266 8.380 -0.005 0.000 0.424 206 L N -0.365 120.868 121.223 0.017 0.000 2.046 206 L HA -0.229 nan 4.340 nan 0.000 0.208 206 L C 1.478 178.371 176.870 0.038 0.000 1.077 206 L CA 3.160 57.938 54.840 -0.102 0.000 0.747 206 L CB 0.093 41.806 42.059 -0.576 0.000 0.896 206 L HN -0.279 7.822 8.230 -0.216 0.000 0.432 207 L N -3.465 117.759 121.223 0.002 0.000 2.270 207 L HA -0.229 nan 4.340 nan 0.000 0.210 207 L C 1.334 178.233 176.870 0.049 0.000 1.104 207 L CA 2.076 56.922 54.840 0.009 0.000 0.804 207 L CB 0.330 42.380 42.059 -0.014 0.000 0.937 207 L HN -0.028 8.185 8.230 -0.030 0.000 0.450 208 N N -4.206 114.535 118.700 0.068 0.000 2.197 208 N HA 0.055 nan 4.740 nan 0.000 0.201 208 N C -0.408 175.086 175.510 -0.026 0.000 1.148 208 N CA 0.134 53.199 53.050 0.026 0.000 0.883 208 N CB 1.469 39.966 38.487 0.018 0.000 1.012 208 N HN 0.025 8.460 8.380 0.092 0.000 0.507 209 E N 0.010 120.169 120.200 -0.068 0.000 2.283 209 E HA 0.060 nan 4.350 nan 0.000 0.267 209 E C -0.905 175.436 176.600 -0.433 0.000 1.045 209 E CA -0.620 55.541 56.400 -0.397 0.000 0.884 209 E CB 1.096 30.253 29.700 -0.906 0.000 1.106 209 E HN -0.686 7.736 8.360 0.102 0.000 0.408 210 D N 3.169 123.336 120.400 -0.387 0.000 2.483 210 D HA 0.068 nan 4.640 nan 0.000 0.220 210 D C -1.114 175.069 176.300 -0.194 0.000 1.173 210 D CA -1.474 52.416 54.000 -0.183 0.000 0.964 210 D CB -0.654 40.074 40.800 -0.120 0.000 1.046 210 D HN 0.238 8.380 8.370 -0.380 0.000 0.517 211 W N 2.184 123.557 121.300 0.123 0.000 2.287 211 W HA 0.080 nan 4.660 nan 0.000 0.313 211 W C -0.617 176.070 176.519 0.279 0.000 1.267 211 W CA -0.761 56.699 57.345 0.192 0.000 1.201 211 W CB 1.012 30.575 29.460 0.171 0.000 1.196 211 W HN -0.576 7.696 8.180 0.152 0.000 0.536 212 K N 3.207 123.902 120.400 0.492 0.000 2.345 212 K HA 0.338 nan 4.320 nan 0.000 0.255 212 K C -1.655 175.023 176.600 0.129 0.000 0.934 212 K CA -1.832 54.638 56.287 0.305 0.000 0.801 212 K CB 3.519 36.099 32.500 0.134 0.000 1.137 212 K HN 0.781 9.193 8.250 0.461 0.114 0.424 213 L N 5.713 126.786 121.223 -0.250 0.000 2.319 213 L HA 0.288 nan 4.340 nan 0.000 0.280 213 L C -0.946 175.712 176.870 -0.352 0.000 1.099 213 L CA 0.051 54.448 54.840 -0.739 0.000 0.828 213 L CB 0.718 42.071 42.059 -1.177 0.000 1.150 213 L HN 0.423 8.581 8.230 -0.120 0.000 0.442 214 E N 6.531 126.562 120.200 -0.282 0.000 2.393 214 E HA 0.363 nan 4.350 nan 0.000 0.273 214 E C -1.613 174.906 176.600 -0.135 0.000 0.918 214 E CA -1.927 54.380 56.400 -0.155 0.000 0.773 214 E CB 4.264 33.919 29.700 -0.075 0.000 1.275 214 E HN 0.688 8.854 8.360 -0.324 0.000 0.451 215 K N 1.176 121.516 120.400 -0.099 0.000 2.205 215 K HA 0.247 nan 4.320 nan 0.000 0.279 215 K C -0.390 176.174 176.600 -0.058 0.000 1.027 215 K CA 0.104 56.343 56.287 -0.080 0.000 0.932 215 K CB 0.968 33.424 32.500 -0.073 0.000 1.032 215 K HN 0.341 8.537 8.250 -0.091 0.000 0.466 216 N N 5.572 124.239 118.700 -0.056 0.000 2.476 216 N HA 0.161 nan 4.740 nan 0.000 0.287 216 N C 0.874 176.350 175.510 -0.057 0.000 1.262 216 N CA -1.053 51.969 53.050 -0.046 0.000 0.980 216 N CB 0.503 38.968 38.487 -0.036 0.000 1.163 216 N HN 0.397 8.738 8.380 -0.066 0.000 0.592 217 D N -1.545 118.824 120.400 -0.051 0.000 2.309 217 D HA -0.216 nan 4.640 nan 0.000 0.212 217 D C 0.049 176.311 176.300 -0.064 0.000 0.968 217 D CA 2.989 56.959 54.000 -0.050 0.000 0.882 217 D CB -0.605 40.171 40.800 -0.040 0.000 0.918 217 D HN 0.576 8.921 8.370 -0.042 0.000 0.503 218 A N -2.531 120.234 122.820 -0.091 0.000 2.275 218 A HA 0.009 nan 4.320 nan 0.000 0.212 218 A C -0.432 177.083 177.584 -0.116 0.000 1.201 218 A CA -0.151 51.820 52.037 -0.110 0.000 0.843 218 A CB 0.501 19.407 19.000 -0.157 0.000 0.873 218 A HN -0.400 7.888 8.150 -0.101 -0.199 0.492 219 N N -4.857 113.782 118.700 -0.102 0.000 2.818 219 N HA -0.466 nan 4.740 nan 0.000 0.250 219 N C -1.526 173.918 175.510 -0.110 0.000 1.108 219 N CA 1.287 54.283 53.050 -0.091 0.000 0.745 219 N CB -1.366 37.078 38.487 -0.072 0.000 1.104 219 N HN 0.127 8.316 8.380 -0.092 0.136 0.557 220 N N -0.440 118.166 118.700 -0.156 0.000 2.430 220 N HA 0.227 nan 4.740 nan 0.000 0.298 220 N C -1.537 173.926 175.510 -0.079 0.000 1.130 220 N CA -0.468 52.483 53.050 -0.165 0.000 0.894 220 N CB 2.420 40.644 38.487 -0.438 0.000 1.209 220 N HN -0.453 8.064 8.380 -0.172 -0.240 0.503 221 E N 0.312 120.500 120.200 -0.021 0.000 2.313 221 E HA 0.252 nan 4.350 nan 0.000 0.272 221 E C -0.874 175.753 176.600 0.046 0.000 1.038 221 E CA 0.025 56.393 56.400 -0.053 0.000 0.863 221 E CB 1.303 30.921 29.700 -0.136 0.000 1.060 221 E HN 0.328 8.687 8.360 -0.001 0.000 0.402 222 Q N -1.936 117.826 119.800 -0.063 0.000 2.482 222 Q HA 0.487 nan 4.340 nan 0.000 0.286 222 Q C -1.676 174.237 176.000 -0.145 0.000 1.007 222 Q CA -2.039 53.766 55.803 0.003 0.000 0.801 222 Q CB 2.961 31.816 28.738 0.195 0.000 1.455 222 Q HN 0.721 8.907 8.270 -0.139 0.000 0.398 223 W N -0.020 121.276 121.300 -0.006 0.000 2.331 223 W HA 0.112 nan 4.660 nan 0.000 0.306 223 W C -0.810 175.884 176.519 0.291 0.000 1.162 223 W CA -0.007 57.347 57.345 0.015 0.000 1.232 223 W CB 0.899 30.185 29.460 -0.289 0.000 1.235 223 W HN 0.488 8.839 8.180 0.284 0.000 0.479 224 D N 4.801 125.491 120.400 0.484 0.000 2.256 224 D HA 0.729 nan 4.640 nan 0.000 0.246 224 D C -1.013 175.445 176.300 0.264 0.000 1.042 224 D CA -0.966 53.259 54.000 0.375 0.000 0.841 224 D CB 3.369 44.265 40.800 0.161 0.000 1.223 224 D HN 0.707 9.189 8.370 0.354 0.102 0.470 225 S N 1.905 117.612 115.700 0.012 0.000 2.681 225 S HA 0.639 nan 4.470 nan 0.000 0.299 225 S C 1.188 175.627 174.600 -0.269 0.000 1.113 225 S CA -1.956 56.047 58.200 -0.328 0.000 1.013 225 S CB 2.560 65.203 63.200 -0.928 0.000 1.076 225 S HN 0.478 8.845 8.310 0.094 0.000 0.534 226 K N 2.814 123.053 120.400 -0.268 0.000 2.173 226 K HA -0.285 nan 4.320 nan 0.000 0.207 226 K C 1.175 177.606 176.600 -0.282 0.000 1.046 226 K CA 2.793 58.948 56.287 -0.220 0.000 0.929 226 K CB -0.209 32.178 32.500 -0.189 0.000 0.720 226 K HN 0.509 8.598 8.250 -0.267 0.000 0.453 227 S N -2.085 113.342 115.700 -0.455 0.000 2.607 227 S HA -0.021 nan 4.470 nan 0.000 0.224 227 S C 0.391 174.624 174.600 -0.611 0.000 0.969 227 S CA 0.263 58.092 58.200 -0.618 0.000 0.927 227 S CB 0.348 62.901 63.200 -1.078 0.000 0.772 227 S HN -0.539 7.429 8.310 -0.511 0.035 0.533 228 G N -0.884 107.693 108.800 -0.372 0.000 2.136 228 G HA2 -0.394 nan 3.960 nan 0.000 0.242 228 G HA3 -0.394 nan 3.960 nan 0.000 0.242 228 G C -0.989 173.914 174.900 0.005 0.000 0.989 228 G CA 0.398 45.400 45.100 -0.163 0.000 0.682 228 G HN -0.180 7.749 8.290 -0.313 0.173 0.522 229 Y N -1.616 118.694 120.300 0.016 0.000 2.432 229 Y HA 0.346 nan 4.550 nan 0.000 0.322 229 Y C -1.254 174.822 175.900 0.293 0.000 1.246 229 Y CA -3.189 54.988 58.100 0.129 0.000 1.268 229 Y CB 1.279 39.849 38.460 0.182 0.000 1.276 229 Y HN -1.017 7.016 8.280 -0.338 0.044 0.499 230 M N -2.915 117.017 119.600 0.553 0.000 2.658 230 M HA 0.878 nan 4.480 nan 0.000 0.295 230 M C -1.344 175.249 176.300 0.488 0.000 1.248 230 M CA -1.186 54.431 55.300 0.528 0.000 0.843 230 M CB 4.066 36.817 32.600 0.251 0.000 1.749 230 M HN 0.458 9.028 8.290 0.467 0.000 0.464 231 M N 0.238 120.015 119.600 0.296 0.000 2.326 231 M HA 0.326 nan 4.480 nan 0.000 0.292 231 M C -1.606 174.800 176.300 0.178 0.000 1.081 231 M CA -1.069 54.301 55.300 0.117 0.000 0.919 231 M CB 4.250 36.649 32.600 -0.336 0.000 1.634 231 M HN 0.720 9.224 8.290 0.357 0.000 0.451 232 L N 2.579 123.891 121.223 0.148 0.000 2.453 232 L HA -0.035 nan 4.340 nan 0.000 0.272 232 L C -0.599 176.365 176.870 0.156 0.000 1.182 232 L CA -1.208 53.636 54.840 0.006 0.000 0.858 232 L CB -0.764 41.267 42.059 -0.046 0.000 1.120 232 L HN 0.574 8.944 8.230 0.235 0.000 0.474 233 P HA -0.345 nan 4.420 nan 0.000 0.217 233 P C 1.164 178.586 177.300 0.203 0.000 1.158 233 P CA 3.181 66.465 63.100 0.307 0.000 0.887 233 P CB -0.012 31.817 31.700 0.216 0.000 0.792 234 T N -6.458 108.162 114.554 0.110 0.000 2.833 234 T HA -0.225 nan 4.350 nan 0.000 0.269 234 T C 1.279 176.033 174.700 0.091 0.000 1.054 234 T CA 3.388 65.547 62.100 0.099 0.000 1.135 234 T CB -0.763 68.147 68.868 0.071 0.000 0.869 234 T HN 0.228 8.423 8.240 0.070 0.087 0.466 235 A N 0.090 122.957 122.820 0.079 0.000 1.935 235 A HA -0.043 nan 4.320 nan 0.000 0.214 235 A C 1.792 179.369 177.584 -0.012 0.000 1.178 235 A CA 1.980 54.056 52.037 0.065 0.000 0.640 235 A CB -0.270 18.809 19.000 0.132 0.000 0.825 235 A HN -0.648 7.537 8.150 0.089 0.019 0.447 236 Y N 0.624 120.799 120.300 -0.208 0.000 2.274 236 Y HA -0.455 nan 4.550 nan 0.000 0.290 236 Y C 1.658 177.392 175.900 -0.277 0.000 1.145 236 Y CA 2.999 60.832 58.100 -0.444 0.000 1.203 236 Y CB 0.115 38.104 38.460 -0.785 0.000 0.984 236 Y HN 0.247 8.590 8.280 0.104 0.000 0.533 237 S N -0.265 115.447 115.700 0.020 0.000 2.409 237 S HA -0.417 nan 4.470 nan 0.000 0.237 237 S C 2.324 176.918 174.600 -0.009 0.000 1.060 237 S CA 3.733 61.956 58.200 0.039 0.000 1.052 237 S CB -0.779 62.502 63.200 0.134 0.000 0.871 237 S HN 0.061 8.448 8.310 0.129 0.000 0.465 238 L N -2.093 119.081 121.223 -0.081 0.000 2.349 238 L HA -0.267 nan 4.340 nan 0.000 0.220 238 L C 0.677 177.494 176.870 -0.088 0.000 1.130 238 L CA 2.174 56.978 54.840 -0.060 0.000 0.791 238 L CB -0.358 41.615 42.059 -0.144 0.000 0.918 238 L HN -0.729 7.403 8.230 -0.110 0.032 0.444 239 I N -9.044 111.361 120.570 -0.276 0.000 3.603 239 I HA -0.029 nan 4.170 nan 0.000 0.297 239 I C 0.994 177.001 176.117 -0.185 0.000 1.269 239 I CA 0.801 61.938 61.300 -0.272 0.000 1.361 239 I CB 0.238 37.960 38.000 -0.462 0.000 1.063 239 I HN -0.237 7.694 8.210 -0.431 0.020 0.448 240 Q N -0.319 119.398 119.800 -0.138 0.000 2.398 240 Q HA -0.105 nan 4.340 nan 0.000 0.204 240 Q C 0.231 176.234 176.000 0.006 0.000 0.932 240 Q CA 1.194 56.969 55.803 -0.046 0.000 0.916 240 Q CB 0.760 29.501 28.738 0.004 0.000 1.024 240 Q HN -0.426 7.588 8.270 -0.157 0.161 0.504 241 D N 0.111 120.537 120.400 0.042 0.000 2.232 241 D HA 0.370 nan 4.640 nan 0.000 0.242 241 D C -1.089 175.204 176.300 -0.012 0.000 1.093 241 D CA -2.979 51.031 54.000 0.016 0.000 0.845 241 D CB 2.361 43.172 40.800 0.018 0.000 1.124 241 D HN -0.728 7.685 8.370 0.072 0.000 0.467 242 P HA -0.164 nan 4.420 nan 0.000 0.216 242 P C 1.413 178.684 177.300 -0.048 0.000 1.150 242 P CA 2.054 65.130 63.100 -0.040 0.000 0.837 242 P CB 0.528 32.204 31.700 -0.040 0.000 0.786 243 K N -1.128 119.215 120.400 -0.094 0.000 2.001 243 K HA -0.263 nan 4.320 nan 0.000 0.208 243 K C 2.831 179.431 176.600 -0.001 0.000 1.048 243 K CA 3.083 59.312 56.287 -0.096 0.000 0.932 243 K CB -0.307 32.079 32.500 -0.190 0.000 0.715 243 K HN -0.630 7.654 8.250 -0.129 -0.111 0.437 244 Y N -1.616 118.666 120.300 -0.030 0.000 2.165 244 Y HA -0.308 nan 4.550 nan 0.000 0.286 244 Y C 2.346 178.211 175.900 -0.060 0.000 1.155 244 Y CA 1.210 59.291 58.100 -0.032 0.000 1.164 244 Y CB -0.571 37.882 38.460 -0.011 0.000 0.978 244 Y HN -0.701 7.752 8.280 -0.147 -0.261 0.513 245 L N -1.140 120.141 121.223 0.096 0.000 2.083 245 L HA -0.386 nan 4.340 nan 0.000 0.209 245 L C 1.482 178.328 176.870 -0.039 0.000 1.083 245 L CA 3.008 57.846 54.840 -0.002 0.000 0.752 245 L CB -0.455 41.586 42.059 -0.031 0.000 0.899 245 L HN 0.056 8.348 8.230 0.102 0.000 0.433 246 S N -0.477 115.198 115.700 -0.041 0.000 2.402 246 S HA -0.296 nan 4.470 nan 0.000 0.229 246 S C 2.152 176.673 174.600 -0.132 0.000 1.021 246 S CA 3.369 61.524 58.200 -0.075 0.000 0.974 246 S CB -0.696 62.465 63.200 -0.065 0.000 0.800 246 S HN -0.432 7.865 8.310 -0.023 0.000 0.484 247 I N 1.568 122.054 120.570 -0.141 0.000 2.333 247 I HA -0.344 nan 4.170 nan 0.000 0.246 247 I C 1.204 177.058 176.117 -0.439 0.000 1.106 247 I CA 3.606 64.712 61.300 -0.324 0.000 1.411 247 I CB -0.038 37.825 38.000 -0.227 0.000 1.082 247 I HN -0.702 7.355 8.210 -0.060 0.116 0.420 248 V N 0.999 120.800 119.914 -0.189 0.000 2.278 248 V HA -0.614 nan 4.120 nan 0.000 0.251 248 V C 1.954 177.955 176.094 -0.155 0.000 1.062 248 V CA 5.094 67.344 62.300 -0.083 0.000 1.038 248 V CB -1.248 30.596 31.823 0.034 0.000 0.646 248 V HN 0.125 8.264 8.190 -0.085 0.000 0.447 249 K N -2.360 117.957 120.400 -0.139 0.000 2.148 249 K HA -0.348 nan 4.320 nan 0.000 0.204 249 K C 2.400 178.920 176.600 -0.135 0.000 1.050 249 K CA 3.591 59.812 56.287 -0.109 0.000 0.942 249 K CB -0.300 32.149 32.500 -0.085 0.000 0.724 249 K HN -0.243 7.932 8.250 -0.125 0.000 0.446 250 E N 0.409 120.474 120.200 -0.224 0.000 2.072 250 E HA -0.238 nan 4.350 nan 0.000 0.191 250 E C 2.567 179.077 176.600 -0.150 0.000 0.985 250 E CA 3.078 59.346 56.400 -0.221 0.000 0.801 250 E CB -0.301 29.189 29.700 -0.350 0.000 0.750 250 E HN -0.587 7.503 8.360 -0.269 0.109 0.452 251 Y N -2.491 117.635 120.300 -0.289 0.000 2.337 251 Y HA -0.162 nan 4.550 nan 0.000 0.293 251 Y C 1.611 177.315 175.900 -0.326 0.000 1.123 251 Y CA 0.456 58.297 58.100 -0.430 0.000 1.201 251 Y CB -0.490 37.303 38.460 -1.112 0.000 1.011 251 Y HN -0.301 7.649 8.280 -0.551 0.000 0.545 252 A N -1.199 121.568 122.820 -0.090 0.000 1.933 252 A HA -0.185 nan 4.320 nan 0.000 0.218 252 A C 1.068 178.657 177.584 0.008 0.000 1.175 252 A CA 2.254 54.301 52.037 0.017 0.000 0.628 252 A CB -0.127 18.887 19.000 0.024 0.000 0.814 252 A HN 0.007 8.062 8.150 -0.159 0.000 0.444 253 N N -4.072 114.621 118.700 -0.011 0.000 2.424 253 N HA -0.058 nan 4.740 nan 0.000 0.178 253 N C -0.536 174.980 175.510 0.009 0.000 1.060 253 N CA 1.292 54.340 53.050 -0.004 0.000 0.901 253 N CB 1.158 39.636 38.487 -0.015 0.000 0.979 253 N HN -0.531 7.829 8.380 -0.033 0.000 0.451 254 D N -0.324 120.096 120.400 0.033 0.000 2.346 254 D HA 0.295 nan 4.640 nan 0.000 0.255 254 D C -0.934 175.411 176.300 0.075 0.000 1.276 254 D CA -1.025 53.002 54.000 0.045 0.000 0.941 254 D CB 1.037 41.870 40.800 0.055 0.000 1.199 254 D HN -0.477 7.818 8.370 0.041 0.099 0.537 255 Q N 4.809 124.615 119.800 0.010 0.000 2.170 255 Q HA -0.387 nan 4.340 nan 0.000 0.203 255 Q C 1.179 177.091 176.000 -0.145 0.000 0.976 255 Q CA 3.634 59.416 55.803 -0.036 0.000 0.858 255 Q CB 0.204 28.836 28.738 -0.177 0.000 0.907 255 Q HN 0.536 8.798 8.270 -0.013 0.000 0.433 256 D N -1.448 118.876 120.400 -0.127 0.000 2.144 256 D HA -0.253 nan 4.640 nan 0.000 0.199 256 D C 1.957 178.291 176.300 0.056 0.000 0.984 256 D CA 3.293 57.248 54.000 -0.076 0.000 0.834 256 D CB -0.575 40.202 40.800 -0.037 0.000 0.955 256 D HN -0.205 8.171 8.370 -0.100 -0.067 0.465 257 K N 0.321 120.780 120.400 0.099 0.000 2.026 257 K HA -0.226 nan 4.320 nan 0.000 0.208 257 K C 1.900 178.609 176.600 0.181 0.000 1.048 257 K CA 2.166 58.556 56.287 0.171 0.000 0.929 257 K CB -0.383 32.251 32.500 0.223 0.000 0.713 257 K HN -0.864 7.656 8.250 0.081 -0.222 0.439 258 F N 1.088 121.008 119.950 -0.050 0.000 2.065 258 F HA -0.404 nan 4.527 nan 0.000 0.298 258 F C 1.701 177.546 175.800 0.075 0.000 1.112 258 F CA 2.595 60.346 58.000 -0.414 0.000 1.212 258 F CB -0.311 38.489 39.000 -0.333 0.000 0.975 258 F HN -0.408 8.056 8.300 0.274 0.000 0.476 259 F N -1.433 118.291 119.950 -0.377 0.000 2.091 259 F HA -0.481 nan 4.527 nan 0.000 0.299 259 F C 2.361 178.059 175.800 -0.169 0.000 1.103 259 F CA 2.131 59.931 58.000 -0.333 0.000 1.228 259 F CB -0.905 38.019 39.000 -0.127 0.000 0.984 259 F HN 0.183 8.621 8.300 0.231 0.000 0.477 260 K N -0.396 120.068 120.400 0.106 0.000 2.057 260 K HA -0.446 nan 4.320 nan 0.000 0.207 260 K C 2.034 178.654 176.600 0.033 0.000 1.049 260 K CA 3.714 60.038 56.287 0.062 0.000 0.931 260 K CB -0.212 32.334 32.500 0.077 0.000 0.714 260 K HN -0.201 8.136 8.250 0.144 0.000 0.440 261 D N -0.519 119.906 120.400 0.041 0.000 2.117 261 D HA -0.218 nan 4.640 nan 0.000 0.198 261 D C 2.320 178.623 176.300 0.005 0.000 0.982 261 D CA 3.282 57.314 54.000 0.054 0.000 0.828 261 D CB -0.382 40.512 40.800 0.156 0.000 0.967 261 D HN -0.409 7.991 8.370 0.050 0.000 0.464 262 F N 1.007 120.842 119.950 -0.191 0.000 2.161 262 F HA -0.384 nan 4.527 nan 0.000 0.300 262 F C 1.500 177.233 175.800 -0.113 0.000 1.089 262 F CA 3.293 61.180 58.000 -0.188 0.000 1.282 262 F CB 0.527 39.251 39.000 -0.459 0.000 1.010 262 F HN 0.322 8.579 8.300 -0.073 0.000 0.485 263 S N -0.408 115.263 115.700 -0.047 0.000 2.348 263 S HA -0.407 nan 4.470 nan 0.000 0.221 263 S C 2.294 176.858 174.600 -0.060 0.000 1.033 263 S CA 4.027 62.202 58.200 -0.042 0.000 1.010 263 S CB -0.347 62.841 63.200 -0.020 0.000 0.891 263 S HN -0.184 8.126 8.310 -0.000 0.000 0.442 264 K N 0.547 120.915 120.400 -0.053 0.000 2.032 264 K HA -0.331 nan 4.320 nan 0.000 0.209 264 K C 2.165 178.722 176.600 -0.071 0.000 1.048 264 K CA 3.240 59.498 56.287 -0.047 0.000 0.927 264 K CB -0.072 32.415 32.500 -0.022 0.000 0.712 264 K HN -0.577 7.651 8.250 -0.036 0.000 0.441 265 A N -1.099 121.658 122.820 -0.105 0.000 1.930 265 A HA -0.173 nan 4.320 nan 0.000 0.217 265 A C 2.124 179.630 177.584 -0.130 0.000 1.175 265 A CA 2.900 54.867 52.037 -0.116 0.000 0.627 265 A CB -0.706 18.212 19.000 -0.137 0.000 0.815 265 A HN -0.051 8.035 8.150 -0.107 0.000 0.443 266 F N -0.328 119.348 119.950 -0.456 0.000 2.163 266 F HA -0.331 nan 4.527 nan 0.000 0.297 266 F C 1.323 177.035 175.800 -0.147 0.000 1.094 266 F CA 2.744 60.508 58.000 -0.394 0.000 1.290 266 F CB 0.479 39.053 39.000 -0.710 0.000 1.017 266 F HN 0.173 8.283 8.300 -0.317 0.000 0.483 267 E N -0.014 120.131 120.200 -0.092 0.000 2.058 267 E HA -0.544 nan 4.350 nan 0.000 0.194 267 E C 1.898 178.416 176.600 -0.137 0.000 0.997 267 E CA 3.557 59.889 56.400 -0.112 0.000 0.801 267 E CB -0.217 29.446 29.700 -0.062 0.000 0.746 267 E HN -0.281 8.070 8.360 -0.015 0.000 0.450 268 K N -0.859 119.476 120.400 -0.108 0.000 2.063 268 K HA -0.327 nan 4.320 nan 0.000 0.208 268 K C 2.314 178.842 176.600 -0.119 0.000 1.048 268 K CA 3.073 59.301 56.287 -0.099 0.000 0.928 268 K CB -0.056 32.408 32.500 -0.060 0.000 0.713 268 K HN -0.506 7.689 8.250 -0.092 0.000 0.442 269 L N -1.299 119.866 121.223 -0.097 0.000 2.042 269 L HA -0.309 nan 4.340 nan 0.000 0.210 269 L C 1.534 178.332 176.870 -0.121 0.000 1.076 269 L CA 2.985 57.793 54.840 -0.052 0.000 0.749 269 L CB -0.043 42.037 42.059 0.035 0.000 0.893 269 L HN -0.377 7.798 8.230 -0.092 0.000 0.432 270 L N -5.117 115.982 121.223 -0.206 0.000 2.395 270 L HA -0.218 nan 4.340 nan 0.000 0.218 270 L C 2.147 178.943 176.870 -0.122 0.000 1.130 270 L CA 2.066 56.805 54.840 -0.168 0.000 0.826 270 L CB 0.064 42.001 42.059 -0.205 0.000 0.941 270 L HN -0.386 7.678 8.230 -0.277 0.000 0.451 271 E N -2.095 118.023 120.200 -0.136 0.000 2.476 271 E HA -0.060 nan 4.350 nan 0.000 0.199 271 E C -0.019 176.444 176.600 -0.227 0.000 1.021 271 E CA 0.067 56.417 56.400 -0.083 0.000 0.907 271 E CB 0.426 30.132 29.700 0.009 0.000 0.974 271 E HN -0.043 8.104 8.360 -0.152 0.122 0.489 272 N N 0.853 119.298 118.700 -0.425 0.000 2.357 272 N HA -0.262 nan 4.740 nan 0.000 0.257 272 N C 0.230 175.073 175.510 -1.111 0.000 1.250 272 N CA 1.913 54.418 53.050 -0.908 0.000 0.862 272 N CB -0.208 37.437 38.487 -1.403 0.000 1.066 272 N HN -0.462 7.714 8.380 -0.340 0.000 0.468 273 G N -0.538 107.724 108.800 -0.897 0.000 2.195 273 G HA2 -0.365 nan 3.960 nan 0.000 0.246 273 G HA3 -0.365 nan 3.960 nan 0.000 0.246 273 G C -1.059 173.755 174.900 -0.143 0.000 0.984 273 G CA 0.472 45.400 45.100 -0.286 0.000 0.633 273 G HN 0.296 8.144 8.290 -0.736 0.000 0.525 274 I N 0.935 121.343 120.570 -0.270 0.000 2.354 274 I HA 0.239 nan 4.170 nan 0.000 0.292 274 I C -0.929 174.907 176.117 -0.468 0.000 0.989 274 I CA -1.236 59.827 61.300 -0.396 0.000 1.188 274 I CB 0.698 38.415 38.000 -0.472 0.000 1.342 274 I HN -0.541 7.427 8.210 -0.300 0.062 0.457 275 T N 8.742 123.030 114.554 -0.442 0.000 2.744 275 T HA 0.324 nan 4.350 nan 0.000 0.291 275 T C -1.203 173.232 174.700 -0.442 0.000 0.957 275 T CA -0.335 61.575 62.100 -0.317 0.000 1.002 275 T CB 0.455 69.215 68.868 -0.181 0.000 0.919 275 T HN 0.648 8.645 8.240 -0.404 0.000 0.468 276 F N 6.826 126.738 119.950 -0.064 0.000 2.385 276 F HA 0.332 nan 4.527 nan 0.000 0.360 276 F C -1.380 174.387 175.800 -0.055 0.000 1.122 276 F CA -3.387 54.572 58.000 -0.068 0.000 1.090 276 F CB 0.128 39.065 39.000 -0.106 0.000 1.150 276 F HN 0.270 8.588 8.300 0.030 0.000 0.472 277 P HA 0.085 nan 4.420 nan 0.000 0.272 277 P C -0.006 177.324 177.300 0.050 0.000 1.223 277 P CA -0.855 62.274 63.100 0.049 0.000 0.784 277 P CB 0.879 32.599 31.700 0.034 0.000 0.923 278 K N 1.310 121.725 120.400 0.024 0.000 2.551 278 K HA -0.090 nan 4.320 nan 0.000 0.192 278 K C -0.338 176.264 176.600 0.003 0.000 1.027 278 K CA 1.524 57.816 56.287 0.009 0.000 1.059 278 K CB -0.193 32.305 32.500 -0.003 0.000 0.831 278 K HN 0.388 8.649 8.250 0.018 0.000 0.508 279 D N -2.607 117.801 120.400 0.014 0.000 2.277 279 D HA -0.110 nan 4.640 nan 0.000 0.208 279 D C 0.024 176.332 176.300 0.013 0.000 0.962 279 D CA 0.049 54.057 54.000 0.014 0.000 0.865 279 D CB -0.957 39.855 40.800 0.021 0.000 0.939 279 D HN -0.356 7.983 8.370 0.020 0.043 0.510 280 A N 1.751 124.582 122.820 0.019 0.000 2.531 280 A HA -0.035 nan 4.320 nan 0.000 0.236 280 A C -1.383 176.165 177.584 -0.060 0.000 1.062 280 A CA -1.139 50.904 52.037 0.010 0.000 0.760 280 A CB -0.053 18.985 19.000 0.064 0.000 0.995 280 A HN -0.536 7.473 8.150 0.029 0.158 0.501 281 P HA -0.039 nan 4.420 nan 0.000 0.267 281 P C -0.986 176.118 177.300 -0.328 0.000 1.200 281 P CA -0.196 62.805 63.100 -0.165 0.000 0.772 281 P CB 0.734 32.357 31.700 -0.129 0.000 0.855 282 S N 1.413 116.946 115.700 -0.279 0.000 2.560 282 S HA -0.046 nan 4.470 nan 0.000 0.276 282 S C -1.429 172.871 174.600 -0.500 0.000 1.350 282 S CA -0.243 57.766 58.200 -0.318 0.000 1.024 282 S CB -0.338 62.737 63.200 -0.208 0.000 0.864 282 S HN -0.076 8.125 8.310 -0.180 0.000 0.536 283 P HA -0.103 nan 4.420 nan 0.000 0.262 283 P C -1.503 175.607 177.300 -0.318 0.000 1.182 283 P CA 0.227 63.052 63.100 -0.458 0.000 0.761 283 P CB 0.395 31.901 31.700 -0.322 0.000 0.795 284 F N 4.098 123.935 119.950 -0.188 0.000 2.443 284 F HA -0.004 nan 4.527 nan 0.000 0.353 284 F C -0.024 175.496 175.800 -0.465 0.000 1.101 284 F CA -0.789 57.010 58.000 -0.335 0.000 1.226 284 F CB 0.632 39.438 39.000 -0.324 0.000 1.140 284 F HN 0.484 8.544 8.300 -0.400 0.000 0.557 285 I N 3.876 124.289 120.570 -0.262 0.000 2.337 285 I HA 0.114 nan 4.170 nan 0.000 0.285 285 I C -0.805 175.161 176.117 -0.251 0.000 1.041 285 I CA -1.569 59.598 61.300 -0.220 0.000 1.199 285 I CB -0.696 37.231 38.000 -0.121 0.000 1.370 285 I HN 0.499 8.562 8.210 -0.244 0.000 0.470 286 F N 7.120 127.098 119.950 0.046 0.000 2.484 286 F HA -0.055 nan 4.527 nan 0.000 0.360 286 F C -0.195 175.422 175.800 -0.305 0.000 1.101 286 F CA -0.305 57.580 58.000 -0.191 0.000 1.251 286 F CB 0.103 38.742 39.000 -0.601 0.000 1.132 286 F HN 0.416 8.590 8.300 -0.209 0.000 0.570 287 K N 4.955 125.319 120.400 -0.059 0.000 2.326 287 K HA 0.017 nan 4.320 nan 0.000 0.275 287 K C 0.024 176.506 176.600 -0.197 0.000 1.018 287 K CA 0.562 56.798 56.287 -0.085 0.000 0.962 287 K CB 0.355 32.850 32.500 -0.007 0.000 0.953 287 K HN 0.076 8.375 8.250 0.081 0.000 0.475 288 T N -2.138 112.401 114.554 -0.025 0.000 2.766 288 T HA 0.124 nan 4.350 nan 0.000 0.295 288 T C 1.444 176.224 174.700 0.133 0.000 1.024 288 T CA -0.871 61.305 62.100 0.127 0.000 1.018 288 T CB 1.332 70.280 68.868 0.133 0.000 1.002 288 T HN 0.051 8.633 8.240 0.005 -0.339 0.532 289 L N 0.535 121.865 121.223 0.179 0.000 2.079 289 L HA -0.416 nan 4.340 nan 0.000 0.210 289 L C 1.957 178.873 176.870 0.077 0.000 1.081 289 L CA 3.728 58.636 54.840 0.115 0.000 0.752 289 L CB -0.520 41.599 42.059 0.099 0.000 0.896 289 L HN -0.121 8.483 8.230 0.249 -0.225 0.433 290 E N -0.839 119.407 120.200 0.076 0.000 2.077 290 E HA -0.370 nan 4.350 nan 0.000 0.193 290 E C 2.783 179.413 176.600 0.050 0.000 0.989 290 E CA 3.065 59.501 56.400 0.060 0.000 0.800 290 E CB -0.542 29.195 29.700 0.061 0.000 0.746 290 E HN 0.199 8.602 8.360 0.090 0.011 0.452 291 E N -1.954 118.276 120.200 0.050 0.000 2.204 291 E HA -0.220 nan 4.350 nan 0.000 0.195 291 E C 1.643 178.264 176.600 0.035 0.000 0.990 291 E CA 2.070 58.493 56.400 0.039 0.000 0.821 291 E CB -0.226 29.494 29.700 0.033 0.000 0.750 291 E HN -0.555 7.840 8.360 0.059 0.000 0.477 292 Q N -3.310 116.513 119.800 0.039 0.000 2.392 292 Q HA 0.001 nan 4.340 nan 0.000 0.203 292 Q C 0.628 176.649 176.000 0.034 0.000 0.917 292 Q CA -0.251 55.573 55.803 0.035 0.000 0.939 292 Q CB 0.713 29.473 28.738 0.036 0.000 1.063 292 Q HN -0.618 7.552 8.270 0.046 0.128 0.516 293 G N -1.464 107.358 108.800 0.036 0.000 2.160 293 G HA2 -0.391 nan 3.960 nan 0.000 0.251 293 G HA3 -0.391 nan 3.960 nan 0.000 0.251 293 G C -0.754 174.166 174.900 0.034 0.000 1.008 293 G CA 0.537 45.657 45.100 0.033 0.000 0.724 293 G HN -0.452 7.680 8.290 0.040 0.181 0.514 294 L N 0.000 121.247 121.223 0.040 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.864 54.840 0.039 0.000 0.813 294 L CB 0.000 42.085 42.059 0.043 0.000 0.961 294 L HN 0.000 8.242 8.230 0.045 0.015 0.502