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 2p9e_1_A DATA FIRST_RESID 5 DATA SEQUENCE SLEKDKIKFL LVEGVHQKAL ESLRAAGYTN IEFHKGALDD EQLKESIRDA DATA SEQUENCE HFIGLRSRTH LTEDVINAAE KLVAIGAFAI GTNQVDLDAA AKRGIPVFNA DATA SEQUENCE PFSNTRSVAE LVIGELLLLL RGVPEANAKA HRGVWNKLAA GSFEARGKKL DATA SEQUENCE GIIGYGHIGT QLGILAESLG MYVYFYDIEN KLPLGNATQV QHLSDLLNMS DATA SEQUENCE DVVSLHVPEN PSTKNMMGAK EISLMKPGSL LINASRGTVV DIPALADALA DATA SEQUENCE SKHLAGAAID VFPTEPATNS DPFTSPLAEF DNVLLTPHIG GSTQEAQENI DATA SEQUENCE GLEVAGKLIK YSDNGSTLSA VNFPEVSLPL HVGRRLMHIH ENRPGVLTAL DATA SEQUENCE NKIFAEQGVN IAAQYLQTSA QMGYVVIDIE ADEDVAEKAL QAMKAIPGTI DATA SEQUENCE RARLLY 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.571 174.600 -0.048 0.000 1.055 5 S CA 0.000 58.157 58.200 -0.071 0.000 1.107 5 S CB 0.000 63.169 63.200 -0.051 0.000 0.593 6 L N 3.203 124.407 121.223 -0.031 0.000 2.217 6 L HA 0.040 4.379 4.340 -0.000 0.000 0.211 6 L C 2.217 179.076 176.870 -0.018 0.000 1.107 6 L CA 1.500 56.329 54.840 -0.017 0.000 0.783 6 L CB -0.267 41.786 42.059 -0.009 0.000 0.919 6 L HN 0.519 nan 8.230 nan 0.000 0.442 7 E N 0.274 120.457 120.200 -0.029 0.000 2.216 7 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 7 E C 1.614 178.182 176.600 -0.053 0.000 0.988 7 E CA 0.474 56.856 56.400 -0.031 0.000 0.834 7 E CB -0.156 29.530 29.700 -0.023 0.000 0.772 7 E HN 0.504 nan 8.360 nan 0.000 0.479 8 K N 1.392 121.735 120.400 -0.095 0.000 2.002 8 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 8 K C 1.367 177.960 176.600 -0.012 0.000 1.048 8 K CA 1.267 57.468 56.287 -0.144 0.000 0.930 8 K CB -0.329 31.979 32.500 -0.320 0.000 0.714 8 K HN 0.021 nan 8.250 nan 0.000 0.438 9 D N 1.186 121.586 120.400 0.000 0.000 2.424 9 D HA -0.141 4.499 4.640 -0.000 0.000 0.221 9 D C 1.190 177.525 176.300 0.059 0.000 0.978 9 D CA 1.047 55.074 54.000 0.044 0.000 0.971 9 D CB 0.013 40.829 40.800 0.027 0.000 0.869 9 D HN 0.257 nan 8.370 nan 0.000 0.506 10 K N -0.256 120.168 120.400 0.040 0.000 2.360 10 K HA 0.143 4.463 4.320 -0.000 0.000 0.196 10 K C 0.635 177.271 176.600 0.059 0.000 1.049 10 K CA -0.078 56.237 56.287 0.047 0.000 1.049 10 K CB 1.485 34.000 32.500 0.025 0.000 0.881 10 K HN 0.146 nan 8.250 nan 0.000 0.542 11 I N 3.103 123.679 120.570 0.010 0.000 2.294 11 I HA 0.126 4.296 4.170 -0.000 0.000 0.295 11 I C 0.231 176.393 176.117 0.074 0.000 1.098 11 I CA -0.475 60.784 61.300 -0.069 0.000 1.277 11 I CB 0.230 38.129 38.000 -0.168 0.000 1.434 11 I HN -0.069 nan 8.210 nan 0.000 0.498 12 K N 6.739 127.256 120.400 0.196 0.000 2.402 12 K HA 0.156 4.476 4.320 -0.000 0.000 0.285 12 K C -0.967 175.651 176.600 0.030 0.000 1.054 12 K CA 0.067 56.424 56.287 0.117 0.000 1.001 12 K CB 0.192 32.746 32.500 0.090 0.000 0.946 12 K HN 0.274 nan 8.250 nan 0.000 0.473 13 F N 5.426 125.489 119.950 0.189 0.000 2.411 13 F HA 0.228 4.755 4.527 -0.000 0.000 0.355 13 F C -0.019 175.822 175.800 0.067 0.000 1.117 13 F CA -0.928 57.161 58.000 0.148 0.000 1.139 13 F CB 0.898 39.948 39.000 0.083 0.000 1.120 13 F HN 0.390 nan 8.300 nan 0.000 0.493 14 L N 6.601 127.953 121.223 0.216 0.000 2.280 14 L HA 0.575 4.915 4.340 -0.000 0.000 0.287 14 L C -1.342 175.543 176.870 0.025 0.000 1.023 14 L CA -0.339 54.539 54.840 0.063 0.000 0.819 14 L CB 0.583 42.657 42.059 0.026 0.000 1.212 14 L HN 0.443 nan 8.230 nan 0.000 0.420 15 L N 6.788 127.958 121.223 -0.088 0.000 2.325 15 L HA 0.730 5.070 4.340 -0.000 0.000 0.281 15 L C 0.054 176.715 176.870 -0.349 0.000 1.004 15 L CA -0.847 53.868 54.840 -0.209 0.000 0.823 15 L CB 1.483 43.401 42.059 -0.235 0.000 1.236 15 L HN 0.509 nan 8.230 nan 0.000 0.415 16 V N -0.924 118.839 119.914 -0.252 0.000 3.369 16 V HA 0.546 4.665 4.120 -0.000 0.000 0.301 16 V C 0.701 176.645 176.094 -0.249 0.000 1.184 16 V CA -0.559 61.616 62.300 -0.208 0.000 1.013 16 V CB 1.279 33.063 31.823 -0.064 0.000 1.230 16 V HN 0.896 nan 8.190 nan 0.000 0.464 17 E N -0.060 120.039 120.200 -0.169 0.000 3.547 17 E HA -0.222 4.128 4.350 -0.000 0.000 0.300 17 E C 0.931 177.455 176.600 -0.127 0.000 0.857 17 E CA 0.910 57.237 56.400 -0.122 0.000 1.039 17 E CB -1.470 28.187 29.700 -0.072 0.000 1.524 17 E HN 2.150 nan 8.360 nan 0.000 0.457 18 G N 0.036 108.700 108.800 -0.227 0.000 2.401 18 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.283 18 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.283 18 G C 0.246 175.151 174.900 0.007 0.000 1.117 18 G CA 0.272 45.319 45.100 -0.090 0.000 1.051 18 G HN 0.888 nan 8.290 nan 0.000 0.510 19 V N -1.000 118.888 119.914 -0.045 0.000 3.185 19 V HA 0.615 4.735 4.120 -0.000 0.000 0.305 19 V C 1.315 177.501 176.094 0.154 0.000 1.090 19 V CA -0.866 61.432 62.300 -0.004 0.000 1.107 19 V CB 1.268 32.870 31.823 -0.369 0.000 1.061 19 V HN 0.599 nan 8.190 nan 0.000 0.480 20 H N 2.096 121.209 119.070 0.071 0.000 2.852 20 H HA 0.100 4.655 4.556 -0.000 0.000 0.362 20 H C 0.897 176.241 175.328 0.027 0.000 1.122 20 H CA 0.405 56.490 56.048 0.062 0.000 1.419 20 H CB 1.416 31.215 29.762 0.062 0.000 1.401 20 H HN 0.831 nan 8.280 nan 0.000 0.609 21 Q N 3.547 123.151 119.800 -0.327 0.000 2.224 21 Q HA -0.103 4.237 4.340 -0.000 0.000 0.203 21 Q C 1.815 177.830 176.000 0.023 0.000 0.970 21 Q CA 1.002 56.685 55.803 -0.200 0.000 0.865 21 Q CB -0.030 28.517 28.738 -0.319 0.000 0.922 21 Q HN 0.599 nan 8.270 nan 0.000 0.445 22 K N 0.180 120.770 120.400 0.316 0.000 2.362 22 K HA -0.038 4.281 4.320 -0.000 0.000 0.200 22 K C 1.852 178.511 176.600 0.098 0.000 1.046 22 K CA 0.699 57.093 56.287 0.178 0.000 0.952 22 K CB 0.040 32.632 32.500 0.153 0.000 0.753 22 K HN 0.145 nan 8.250 nan 0.000 0.466 23 A N 0.981 123.881 122.820 0.133 0.000 1.873 23 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 23 A C 1.896 179.470 177.584 -0.018 0.000 1.186 23 A CA 1.112 53.213 52.037 0.106 0.000 0.616 23 A CB -0.456 18.641 19.000 0.162 0.000 0.823 23 A HN 0.152 nan 8.150 nan 0.000 0.442 24 L N -0.709 120.486 121.223 -0.047 0.000 2.093 24 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 24 L C 2.486 179.309 176.870 -0.079 0.000 1.085 24 L CA 1.987 56.772 54.840 -0.092 0.000 0.755 24 L CB -1.247 40.736 42.059 -0.127 0.000 0.904 24 L HN 0.596 nan 8.230 nan 0.000 0.435 25 E N 0.219 120.387 120.200 -0.053 0.000 2.153 25 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 25 E C 2.224 178.800 176.600 -0.040 0.000 0.988 25 E CA 1.190 57.566 56.400 -0.040 0.000 0.811 25 E CB 0.232 29.920 29.700 -0.020 0.000 0.746 25 E HN 0.296 nan 8.360 nan 0.000 0.466 26 S N -0.000 115.671 115.700 -0.047 0.000 2.414 26 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 26 S C 1.758 176.311 174.600 -0.078 0.000 1.022 26 S CA 0.247 58.413 58.200 -0.056 0.000 0.958 26 S CB 0.017 63.182 63.200 -0.059 0.000 0.797 26 S HN 0.243 nan 8.310 nan 0.000 0.493 27 L N 1.205 122.346 121.223 -0.135 0.000 1.961 27 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 27 L C 2.674 179.542 176.870 -0.003 0.000 1.072 27 L CA 1.459 56.206 54.840 -0.155 0.000 0.749 27 L CB -0.742 41.122 42.059 -0.324 0.000 0.889 27 L HN 0.237 nan 8.230 nan 0.000 0.432 28 R N 0.220 120.707 120.500 -0.020 0.000 2.134 28 R HA -0.238 4.102 4.340 -0.000 0.000 0.248 28 R C 2.313 178.614 176.300 0.002 0.000 1.143 28 R CA 1.706 57.807 56.100 0.002 0.000 0.957 28 R CB -0.712 29.578 30.300 -0.017 0.000 0.867 28 R HN 0.442 nan 8.270 nan 0.000 0.441 29 A N 0.952 123.767 122.820 -0.008 0.000 2.015 29 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 29 A C 2.072 179.658 177.584 0.004 0.000 1.163 29 A CA 1.487 53.520 52.037 -0.008 0.000 0.646 29 A CB -0.266 18.725 19.000 -0.015 0.000 0.806 29 A HN 0.403 nan 8.150 nan 0.000 0.448 30 A N -1.861 120.979 122.820 0.034 0.000 2.302 30 A HA 0.442 4.762 4.320 -0.000 0.000 0.219 30 A C 1.722 179.329 177.584 0.037 0.000 1.243 30 A CA 1.057 53.138 52.037 0.074 0.000 0.856 30 A CB -0.969 18.125 19.000 0.157 0.000 0.893 30 A HN 1.776 nan 8.150 nan 0.000 0.491 31 G N -1.714 107.081 108.800 -0.009 0.000 2.253 31 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.251 31 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.251 31 G C 0.053 174.898 174.900 -0.092 0.000 0.998 31 G CA 0.321 45.364 45.100 -0.095 0.000 0.621 31 G HN 0.484 nan 8.290 nan 0.000 0.524 32 Y N 1.843 122.172 120.300 0.049 0.000 2.585 32 Y HA 0.511 5.061 4.550 -0.001 0.000 0.354 32 Y C 1.618 177.578 175.900 0.100 0.000 1.024 32 Y CA 0.800 58.984 58.100 0.140 0.000 1.321 32 Y CB 1.291 39.936 38.460 0.308 0.000 1.151 32 Y HN 0.047 nan 8.280 nan 0.000 0.525 33 T N 0.836 115.517 114.554 0.212 0.000 3.040 33 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 33 T C 0.168 174.955 174.700 0.145 0.000 1.005 33 T CA -0.250 61.928 62.100 0.130 0.000 0.906 33 T CB -0.175 68.733 68.868 0.066 0.000 1.082 33 T HN 0.400 nan 8.240 nan 0.000 0.531 34 N N 2.055 120.883 118.700 0.212 0.000 2.462 34 N HA 0.434 5.173 4.740 -0.000 0.000 0.242 34 N C -1.193 174.463 175.510 0.243 0.000 1.010 34 N CA -0.334 52.826 53.050 0.184 0.000 0.939 34 N CB 0.071 38.650 38.487 0.153 0.000 1.127 34 N HN 0.190 nan 8.380 nan 0.000 0.509 35 I N 1.221 121.897 120.570 0.178 0.000 2.571 35 I HA 0.213 4.383 4.170 -0.000 0.000 0.289 35 I C -0.466 175.718 176.117 0.111 0.000 1.115 35 I CA -0.687 60.726 61.300 0.188 0.000 1.045 35 I CB 2.267 40.356 38.000 0.148 0.000 1.238 35 I HN 0.479 nan 8.210 nan 0.000 0.424 36 E N 6.084 126.322 120.200 0.062 0.000 2.046 36 E HA 0.262 4.612 4.350 -0.000 0.000 0.279 36 E C -1.536 174.972 176.600 -0.154 0.000 0.989 36 E CA -0.605 55.755 56.400 -0.067 0.000 0.798 36 E CB 0.920 30.532 29.700 -0.145 0.000 1.086 36 E HN 0.417 nan 8.360 nan 0.000 0.399 37 F N 5.293 125.120 119.950 -0.206 0.000 2.411 37 F HA 0.247 4.774 4.527 -0.000 0.000 0.355 37 F C -0.646 175.085 175.800 -0.115 0.000 1.117 37 F CA -0.439 57.462 58.000 -0.164 0.000 1.139 37 F CB 0.440 39.392 39.000 -0.080 0.000 1.120 37 F HN 0.475 nan 8.300 nan 0.000 0.493 38 H N 5.496 124.126 119.070 -0.734 0.000 2.505 38 H HA 0.292 4.847 4.556 -0.000 0.000 0.338 38 H C 0.647 175.551 175.328 -0.707 0.000 1.057 38 H CA -0.866 54.886 56.048 -0.492 0.000 1.202 38 H CB 2.024 31.630 29.762 -0.260 0.000 1.466 38 H HN 0.660 nan 8.280 nan 0.000 0.499 39 K N 1.675 121.965 120.400 -0.183 0.000 2.148 39 K HA 0.032 4.352 4.320 -0.000 0.000 0.204 39 K C 1.180 177.727 176.600 -0.089 0.000 1.050 39 K CA 1.160 57.403 56.287 -0.074 0.000 0.942 39 K CB 0.411 32.956 32.500 0.075 0.000 0.724 39 K HN 0.667 nan 8.250 nan 0.000 0.446 40 G N -0.736 108.012 108.800 -0.088 0.000 3.108 40 G HA2 0.633 4.592 3.960 -0.000 0.000 0.268 40 G HA3 0.633 4.592 3.960 -0.000 0.000 0.268 40 G C -1.293 173.562 174.900 -0.075 0.000 1.361 40 G CA -0.480 44.576 45.100 -0.072 0.000 1.047 40 G HN 0.195 nan 8.290 nan 0.000 0.540 41 A N -1.333 121.453 122.820 -0.056 0.000 2.296 41 A HA 0.703 5.023 4.320 -0.000 0.000 0.264 41 A C -0.874 176.676 177.584 -0.057 0.000 1.097 41 A CA 0.017 52.029 52.037 -0.041 0.000 0.811 41 A CB 0.607 19.594 19.000 -0.022 0.000 1.072 41 A HN 0.490 nan 8.150 nan 0.000 0.495 42 L N 0.446 121.648 121.223 -0.034 0.000 2.370 42 L HA 0.411 4.751 4.340 -0.000 0.000 0.266 42 L C -0.026 176.832 176.870 -0.021 0.000 1.002 42 L CA -0.366 54.449 54.840 -0.042 0.000 0.818 42 L CB 1.730 43.782 42.059 -0.011 0.000 1.325 42 L HN 0.802 nan 8.230 nan 0.000 0.418 43 D N 0.439 120.823 120.400 -0.026 0.000 2.358 43 D HA 0.027 4.667 4.640 -0.000 0.000 0.244 43 D C 0.735 177.031 176.300 -0.006 0.000 1.163 43 D CA 0.064 54.055 54.000 -0.016 0.000 0.945 43 D CB 1.109 41.896 40.800 -0.021 0.000 1.152 43 D HN 0.639 nan 8.370 nan 0.000 0.451 44 D N 0.337 120.734 120.400 -0.005 0.000 2.558 44 D HA -0.272 4.368 4.640 -0.000 0.000 0.190 44 D C 1.493 177.792 176.300 -0.000 0.000 1.047 44 D CA 2.056 56.055 54.000 -0.002 0.000 0.880 44 D CB 0.144 40.939 40.800 -0.007 0.000 0.926 44 D HN 0.556 nan 8.370 nan 0.000 0.465 45 E N -0.483 119.714 120.200 -0.004 0.000 2.001 45 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 45 E C 2.082 178.683 176.600 0.002 0.000 0.994 45 E CA 1.234 57.633 56.400 -0.003 0.000 0.815 45 E CB -0.027 29.669 29.700 -0.007 0.000 0.770 45 E HN 0.495 nan 8.360 nan 0.000 0.453 46 Q N 0.376 120.176 119.800 0.000 0.000 2.488 46 Q HA -0.077 4.262 4.340 -0.000 0.000 0.211 46 Q C 2.064 178.084 176.000 0.034 0.000 0.967 46 Q CA 0.270 56.081 55.803 0.013 0.000 0.926 46 Q CB -0.106 28.631 28.738 -0.002 0.000 0.992 46 Q HN 0.191 nan 8.270 nan 0.000 0.506 47 L N 2.024 123.262 121.223 0.024 0.000 1.921 47 L HA -0.192 4.148 4.340 -0.000 0.000 0.219 47 L C 1.813 178.697 176.870 0.024 0.000 1.081 47 L CA 1.995 56.853 54.840 0.030 0.000 0.771 47 L CB -0.567 41.505 42.059 0.023 0.000 0.888 47 L HN 0.051 nan 8.230 nan 0.000 0.433 48 K N -0.474 119.934 120.400 0.014 0.000 2.520 48 K HA -0.214 4.106 4.320 -0.000 0.000 0.198 48 K C 1.721 178.324 176.600 0.006 0.000 1.045 48 K CA 1.542 57.833 56.287 0.006 0.000 0.934 48 K CB -0.117 32.385 32.500 0.002 0.000 0.766 48 K HN 0.588 nan 8.250 nan 0.000 0.483 49 E N -0.235 119.974 120.200 0.015 0.000 2.110 49 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 49 E C 2.052 178.665 176.600 0.022 0.000 0.950 49 E CA 0.781 57.191 56.400 0.016 0.000 0.840 49 E CB 0.218 29.931 29.700 0.021 0.000 0.809 49 E HN 0.237 nan 8.360 nan 0.000 0.465 50 S N 0.810 116.535 115.700 0.040 0.000 2.423 50 S HA -0.098 4.371 4.470 -0.000 0.000 0.231 50 S C 2.007 176.616 174.600 0.016 0.000 1.014 50 S CA 0.582 58.807 58.200 0.041 0.000 0.965 50 S CB -0.139 63.111 63.200 0.083 0.000 0.785 50 S HN 0.177 nan 8.310 nan 0.000 0.495 51 I N 0.991 121.567 120.570 0.011 0.000 2.333 51 I HA -0.033 4.137 4.170 -0.000 0.000 0.246 51 I C 2.840 178.939 176.117 -0.030 0.000 1.106 51 I CA 0.479 61.775 61.300 -0.006 0.000 1.411 51 I CB -0.115 37.884 38.000 -0.002 0.000 1.082 51 I HN 0.208 nan 8.210 nan 0.000 0.420 52 R N 0.904 121.389 120.500 -0.025 0.000 2.224 52 R HA -0.284 4.056 4.340 -0.000 0.000 0.251 52 R C 0.981 177.239 176.300 -0.070 0.000 1.123 52 R CA 2.318 58.394 56.100 -0.040 0.000 0.944 52 R CB -0.632 29.652 30.300 -0.026 0.000 0.910 52 R HN 0.546 nan 8.270 nan 0.000 0.440 53 D N -0.890 119.472 120.400 -0.064 0.000 2.561 53 D HA 0.121 4.761 4.640 -0.000 0.000 0.232 53 D C -0.940 175.275 176.300 -0.140 0.000 1.198 53 D CA 0.004 53.944 54.000 -0.100 0.000 0.826 53 D CB 0.316 41.085 40.800 -0.051 0.000 0.992 53 D HN 0.200 nan 8.370 nan 0.000 0.490 54 A N 0.211 122.943 122.820 -0.146 0.000 2.271 54 A HA 0.403 4.723 4.320 -0.000 0.000 0.317 54 A C 0.129 177.588 177.584 -0.210 0.000 1.245 54 A CA -0.645 51.322 52.037 -0.115 0.000 0.857 54 A CB 0.639 19.618 19.000 -0.036 0.000 1.175 54 A HN 0.197 nan 8.150 nan 0.000 0.512 55 H N 1.686 120.643 119.070 -0.189 0.000 2.326 55 H HA 0.124 4.680 4.556 -0.000 0.000 0.301 55 H C -0.541 174.431 175.328 -0.593 0.000 1.081 55 H CA 2.278 58.090 56.048 -0.392 0.000 1.334 55 H CB 0.066 29.584 29.762 -0.406 0.000 1.385 55 H HN 0.624 nan 8.280 nan 0.000 0.504 56 F N -0.256 119.619 119.950 -0.125 0.000 2.540 56 F HA 0.369 4.895 4.527 -0.000 0.000 0.317 56 F C -0.392 175.447 175.800 0.064 0.000 1.104 56 F CA -0.873 57.091 58.000 -0.060 0.000 0.913 56 F CB 2.247 41.129 39.000 -0.195 0.000 1.170 56 F HN -0.065 nan 8.300 nan 0.000 0.450 57 I N 1.402 122.153 120.570 0.302 0.000 2.693 57 I HA 0.715 4.885 4.170 -0.000 0.000 0.303 57 I C -0.624 175.645 176.117 0.253 0.000 1.025 57 I CA -0.499 60.931 61.300 0.216 0.000 1.086 57 I CB 2.018 40.083 38.000 0.109 0.000 1.268 57 I HN 0.677 nan 8.210 nan 0.000 0.440 58 G N 7.709 116.602 108.800 0.155 0.000 2.728 58 G HA2 0.570 4.530 3.960 -0.000 0.000 0.296 58 G HA3 0.570 4.530 3.960 -0.000 0.000 0.296 58 G C -1.118 173.788 174.900 0.008 0.000 1.401 58 G CA -0.449 44.725 45.100 0.124 0.000 1.007 58 G HN 0.609 nan 8.290 nan 0.000 0.527 59 L N -0.084 121.195 121.223 0.094 0.000 2.313 59 L HA 0.832 5.172 4.340 -0.000 0.000 0.268 59 L C 0.322 177.237 176.870 0.074 0.000 1.010 59 L CA -1.493 53.367 54.840 0.034 0.000 0.814 59 L CB 1.791 43.865 42.059 0.025 0.000 1.304 59 L HN 0.347 nan 8.230 nan 0.000 0.441 60 R N 0.068 120.584 120.500 0.026 0.000 2.424 60 R HA 0.366 4.706 4.340 -0.000 0.000 0.166 60 R C 1.148 177.450 176.300 0.003 0.000 1.347 60 R CA 0.118 56.240 56.100 0.036 0.000 1.274 60 R CB -0.060 30.253 30.300 0.023 0.000 1.949 60 R HN 0.854 nan 8.270 nan 0.000 0.537 61 S N -0.052 115.639 115.700 -0.015 0.000 2.577 61 S HA 0.194 4.664 4.470 -0.000 0.000 0.219 61 S C 1.276 175.863 174.600 -0.021 0.000 0.962 61 S CA -0.192 57.989 58.200 -0.033 0.000 0.921 61 S CB 0.180 63.347 63.200 -0.054 0.000 0.789 61 S HN 0.299 nan 8.310 nan 0.000 0.497 62 R N 0.651 121.149 120.500 -0.004 0.000 2.250 62 R HA 0.200 4.540 4.340 -0.000 0.000 0.194 62 R C -0.046 176.283 176.300 0.048 0.000 0.927 62 R CA 0.313 56.429 56.100 0.027 0.000 1.052 62 R CB -0.037 30.274 30.300 0.017 0.000 1.055 62 R HN 0.220 nan 8.270 nan 0.000 0.537 63 T N 1.519 116.084 114.554 0.018 0.000 2.853 63 T HA 0.006 4.356 4.350 -0.000 0.000 0.298 63 T C -0.416 174.302 174.700 0.029 0.000 0.978 63 T CA 0.352 62.471 62.100 0.032 0.000 1.152 63 T CB 0.416 69.292 68.868 0.013 0.000 0.914 63 T HN 0.107 nan 8.240 nan 0.000 0.539 64 H N 4.270 123.338 119.070 -0.003 0.000 2.641 64 H HA 0.280 4.836 4.556 -0.000 0.000 0.295 64 H C -0.381 174.946 175.328 -0.002 0.000 1.070 64 H CA -0.386 55.660 56.048 -0.002 0.000 1.257 64 H CB 0.487 30.247 29.762 -0.004 0.000 1.393 64 H HN 0.418 nan 8.280 nan 0.000 0.464 65 L N 5.747 126.967 121.223 -0.006 0.000 2.315 65 L HA 0.131 4.471 4.340 -0.000 0.000 0.278 65 L C 0.749 177.634 176.870 0.024 0.000 1.088 65 L CA -0.397 54.452 54.840 0.013 0.000 0.899 65 L CB 0.419 42.471 42.059 -0.011 0.000 1.277 65 L HN 0.562 nan 8.230 nan 0.000 0.431 66 T N -2.966 111.636 114.554 0.079 0.000 2.884 66 T HA 0.175 4.524 4.350 -0.000 0.000 0.277 66 T C 1.007 175.730 174.700 0.038 0.000 0.976 66 T CA -0.757 61.393 62.100 0.083 0.000 0.956 66 T CB 1.825 70.758 68.868 0.109 0.000 1.113 66 T HN 0.441 nan 8.240 nan 0.000 0.554 67 E N 0.433 120.651 120.200 0.029 0.000 2.048 67 E HA -0.270 4.080 4.350 -0.000 0.000 0.202 67 E C 1.454 178.060 176.600 0.009 0.000 1.021 67 E CA 2.088 58.496 56.400 0.013 0.000 0.825 67 E CB -0.279 29.427 29.700 0.010 0.000 0.756 67 E HN 0.641 nan 8.360 nan 0.000 0.454 68 D N -0.334 120.073 120.400 0.012 0.000 2.123 68 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 68 D C 2.000 178.303 176.300 0.005 0.000 0.992 68 D CA 0.881 54.884 54.000 0.006 0.000 0.833 68 D CB -0.146 40.656 40.800 0.005 0.000 0.954 68 D HN 0.060 nan 8.370 nan 0.000 0.455 69 V N 0.738 120.660 119.914 0.012 0.000 2.343 69 V HA -0.204 3.915 4.120 -0.000 0.000 0.247 69 V C 2.376 178.470 176.094 -0.000 0.000 1.051 69 V CA 1.126 63.432 62.300 0.009 0.000 1.036 69 V CB -0.336 31.500 31.823 0.022 0.000 0.654 69 V HN 0.241 nan 8.190 nan 0.000 0.451 70 I N 0.587 121.156 120.570 -0.000 0.000 2.286 70 I HA -0.206 3.963 4.170 -0.000 0.000 0.248 70 I C 2.237 178.345 176.117 -0.016 0.000 1.115 70 I CA 1.290 62.584 61.300 -0.010 0.000 1.392 70 I CB -0.510 37.484 38.000 -0.010 0.000 1.065 70 I HN 0.367 nan 8.210 nan 0.000 0.418 71 N N 1.281 119.974 118.700 -0.011 0.000 2.223 71 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 71 N C 1.875 177.374 175.510 -0.018 0.000 1.016 71 N CA 1.419 54.461 53.050 -0.014 0.000 0.863 71 N CB -0.375 38.106 38.487 -0.010 0.000 0.983 71 N HN 0.354 nan 8.380 nan 0.000 0.429 72 A N 0.864 123.674 122.820 -0.016 0.000 1.902 72 A HA 0.171 4.490 4.320 -0.000 0.000 0.217 72 A C 1.228 178.794 177.584 -0.029 0.000 1.181 72 A CA 1.052 53.078 52.037 -0.018 0.000 0.623 72 A CB -0.723 18.270 19.000 -0.012 0.000 0.818 72 A HN 0.290 nan 8.150 nan 0.000 0.443 73 A N 0.502 123.300 122.820 -0.036 0.000 2.444 73 A HA 0.381 4.701 4.320 -0.000 0.000 0.273 73 A C 0.661 178.202 177.584 -0.071 0.000 1.136 73 A CA -0.255 51.748 52.037 -0.056 0.000 0.799 73 A CB 0.105 19.068 19.000 -0.061 0.000 1.081 73 A HN 0.346 nan 8.150 nan 0.000 0.509 74 E N 1.519 121.671 120.200 -0.080 0.000 2.511 74 E HA -0.012 4.338 4.350 -0.000 0.000 0.196 74 E C 0.099 176.625 176.600 -0.123 0.000 1.066 74 E CA 0.793 57.144 56.400 -0.082 0.000 0.871 74 E CB 0.213 29.873 29.700 -0.067 0.000 0.863 74 E HN 0.684 nan 8.360 nan 0.000 0.520 75 K N 0.161 120.454 120.400 -0.178 0.000 2.932 75 K HA 0.172 4.491 4.320 -0.000 0.000 0.194 75 K C -0.801 175.611 176.600 -0.314 0.000 1.132 75 K CA -0.228 55.889 56.287 -0.283 0.000 1.071 75 K CB 0.640 32.864 32.500 -0.461 0.000 0.727 75 K HN -0.118 nan 8.250 nan 0.000 0.441 76 L N 1.326 122.429 121.223 -0.200 0.000 2.315 76 L HA 0.172 4.512 4.340 -0.000 0.000 0.283 76 L C 0.797 177.555 176.870 -0.188 0.000 1.089 76 L CA 0.364 55.091 54.840 -0.190 0.000 0.833 76 L CB 0.941 42.932 42.059 -0.112 0.000 1.170 76 L HN 0.033 nan 8.230 nan 0.000 0.442 77 V N 4.567 124.295 119.914 -0.311 0.000 2.341 77 V HA 0.342 4.462 4.120 -0.000 0.000 0.240 77 V C 0.881 176.913 176.094 -0.103 0.000 1.035 77 V CA 1.086 63.225 62.300 -0.268 0.000 1.033 77 V CB -0.409 31.102 31.823 -0.521 0.000 0.678 77 V HN 0.852 nan 8.190 nan 0.000 0.464 78 A N -0.725 122.024 122.820 -0.118 0.000 2.479 78 A HA 0.803 5.123 4.320 -0.000 0.000 0.296 78 A C -1.162 176.528 177.584 0.177 0.000 1.121 78 A CA -0.528 51.578 52.037 0.114 0.000 0.743 78 A CB 1.536 20.765 19.000 0.382 0.000 1.323 78 A HN 0.203 nan 8.150 nan 0.000 0.415 79 I N 0.649 121.291 120.570 0.120 0.000 2.474 79 I HA 0.528 4.698 4.170 -0.000 0.000 0.294 79 I C 0.523 176.760 176.117 0.201 0.000 1.005 79 I CA -0.524 60.859 61.300 0.138 0.000 1.113 79 I CB 2.303 40.323 38.000 0.034 0.000 1.289 79 I HN 0.736 nan 8.210 nan 0.000 0.436 80 G N 4.815 113.760 108.800 0.241 0.000 2.788 80 G HA2 0.556 4.516 3.960 -0.000 0.000 0.327 80 G HA3 0.556 4.516 3.960 -0.000 0.000 0.327 80 G C -0.112 174.933 174.900 0.242 0.000 1.249 80 G CA -0.415 44.822 45.100 0.227 0.000 1.063 80 G HN 0.764 nan 8.290 nan 0.000 0.497 81 A N 2.459 125.343 122.820 0.106 0.000 2.541 81 A HA 0.381 4.701 4.320 -0.000 0.000 0.293 81 A C -0.013 177.608 177.584 0.062 0.000 1.307 81 A CA -0.296 51.791 52.037 0.082 0.000 0.978 81 A CB -0.467 18.532 19.000 -0.001 0.000 1.111 81 A HN 0.611 nan 8.150 nan 0.000 0.535 82 F N 2.189 122.132 119.950 -0.012 0.000 2.727 82 F HA 0.397 4.924 4.527 -0.000 0.000 0.349 82 F C 1.107 176.892 175.800 -0.025 0.000 1.172 82 F CA 1.227 59.218 58.000 -0.016 0.000 1.355 82 F CB -0.399 38.598 39.000 -0.005 0.000 1.546 82 F HN 0.719 nan 8.300 nan 0.000 0.596 83 A N -0.466 122.381 122.820 0.045 0.000 2.506 83 A HA 0.568 4.888 4.320 -0.000 0.000 0.305 83 A C 0.469 178.021 177.584 -0.053 0.000 1.166 83 A CA -0.637 51.403 52.037 0.005 0.000 0.638 83 A CB 0.362 19.365 19.000 0.006 0.000 1.336 83 A HN 0.104 nan 8.150 nan 0.000 0.493 84 I N 0.527 121.061 120.570 -0.061 0.000 2.364 84 I HA 0.149 4.318 4.170 -0.000 0.000 0.241 84 I C 1.788 177.857 176.117 -0.080 0.000 1.082 84 I CA 1.019 62.266 61.300 -0.089 0.000 1.401 84 I CB -0.389 37.571 38.000 -0.067 0.000 1.126 84 I HN 0.717 nan 8.210 nan 0.000 0.429 85 G N 0.392 109.158 108.800 -0.057 0.000 2.544 85 G HA2 0.235 4.195 3.960 -0.000 0.000 0.242 85 G HA3 0.235 4.195 3.960 -0.000 0.000 0.242 85 G C 0.630 175.495 174.900 -0.059 0.000 1.247 85 G CA 0.339 45.409 45.100 -0.050 0.000 0.840 85 G HN 0.393 nan 8.290 nan 0.000 0.578 86 T N -2.091 112.427 114.554 -0.060 0.000 3.043 86 T HA 0.016 4.365 4.350 -0.000 0.000 0.272 86 T C 1.664 176.319 174.700 -0.075 0.000 0.990 86 T CA 0.428 62.486 62.100 -0.069 0.000 0.897 86 T CB -0.228 68.594 68.868 -0.076 0.000 1.111 86 T HN 0.646 nan 8.240 nan 0.000 0.529 87 N N 2.972 121.636 118.700 -0.061 0.000 2.314 87 N HA -0.300 4.440 4.740 -0.000 0.000 0.191 87 N C 1.770 177.207 175.510 -0.122 0.000 1.007 87 N CA 1.394 54.408 53.050 -0.060 0.000 0.883 87 N CB -0.522 37.951 38.487 -0.023 0.000 0.969 87 N HN 0.477 nan 8.380 nan 0.000 0.441 88 Q N 0.509 120.198 119.800 -0.185 0.000 2.482 88 Q HA 0.086 4.426 4.340 -0.000 0.000 0.209 88 Q C -0.318 175.450 176.000 -0.387 0.000 0.961 88 Q CA 0.309 55.867 55.803 -0.408 0.000 0.945 88 Q CB 0.169 28.719 28.738 -0.313 0.000 1.012 88 Q HN 0.341 nan 8.270 nan 0.000 0.515 89 V N 2.162 121.957 119.914 -0.197 0.000 2.623 89 V HA 0.128 4.248 4.120 -0.000 0.000 0.304 89 V C -1.022 175.025 176.094 -0.078 0.000 1.054 89 V CA -1.010 61.219 62.300 -0.119 0.000 0.882 89 V CB 1.931 33.702 31.823 -0.086 0.000 1.002 89 V HN 0.059 nan 8.190 nan 0.000 0.424 90 D N 4.443 124.815 120.400 -0.047 0.000 2.398 90 D HA 0.168 4.808 4.640 -0.000 0.000 0.250 90 D C 1.188 177.470 176.300 -0.030 0.000 1.287 90 D CA 0.201 54.187 54.000 -0.025 0.000 0.992 90 D CB 0.734 41.533 40.800 -0.002 0.000 1.071 90 D HN 0.476 nan 8.370 nan 0.000 0.514 91 L N 2.227 123.427 121.223 -0.038 0.000 2.042 91 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 91 L C 1.403 178.254 176.870 -0.031 0.000 1.076 91 L CA 0.974 55.787 54.840 -0.044 0.000 0.749 91 L CB -0.180 41.849 42.059 -0.050 0.000 0.893 91 L HN 0.277 nan 8.230 nan 0.000 0.432 92 D N -0.113 120.272 120.400 -0.025 0.000 2.392 92 D HA -0.045 4.595 4.640 -0.000 0.000 0.228 92 D C 1.647 177.937 176.300 -0.017 0.000 1.003 92 D CA 1.009 54.996 54.000 -0.022 0.000 0.917 92 D CB 0.327 41.115 40.800 -0.019 0.000 0.890 92 D HN 0.361 nan 8.370 nan 0.000 0.532 93 A N -0.128 122.683 122.820 -0.015 0.000 2.211 93 A HA 0.460 4.780 4.320 -0.000 0.000 0.208 93 A C 2.038 179.616 177.584 -0.010 0.000 1.250 93 A CA 0.603 52.633 52.037 -0.011 0.000 0.935 93 A CB 0.264 19.260 19.000 -0.007 0.000 0.982 93 A HN 0.142 nan 8.150 nan 0.000 0.490 94 A N 0.174 122.986 122.820 -0.013 0.000 2.016 94 A HA 0.370 4.690 4.320 -0.000 0.000 0.217 94 A C 2.320 179.921 177.584 0.027 0.000 1.162 94 A CA 1.528 53.559 52.037 -0.009 0.000 0.662 94 A CB -0.701 18.278 19.000 -0.034 0.000 0.812 94 A HN 0.896 nan 8.150 nan 0.000 0.450 95 A N 0.590 123.427 122.820 0.030 0.000 1.851 95 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 95 A C 2.052 179.635 177.584 -0.002 0.000 1.195 95 A CA 1.853 53.911 52.037 0.035 0.000 0.622 95 A CB -0.501 18.485 19.000 -0.022 0.000 0.831 95 A HN 0.326 nan 8.150 nan 0.000 0.444 96 K N -0.271 120.120 120.400 -0.014 0.000 2.144 96 K HA -0.177 4.142 4.320 -0.000 0.000 0.209 96 K C 1.687 178.283 176.600 -0.006 0.000 1.047 96 K CA 1.601 57.878 56.287 -0.017 0.000 0.927 96 K CB -0.326 32.166 32.500 -0.013 0.000 0.716 96 K HN 0.514 nan 8.250 nan 0.000 0.454 97 R N -0.592 119.912 120.500 0.006 0.000 2.334 97 R HA 0.073 4.413 4.340 -0.000 0.000 0.216 97 R C 0.710 177.031 176.300 0.033 0.000 0.905 97 R CA 0.587 56.693 56.100 0.008 0.000 1.064 97 R CB 0.464 30.762 30.300 -0.004 0.000 1.046 97 R HN 0.359 nan 8.270 nan 0.000 0.508 98 G N 2.178 111.026 108.800 0.080 0.000 2.182 98 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 98 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 98 G C 0.041 175.049 174.900 0.181 0.000 1.042 98 G CA -0.193 45.025 45.100 0.196 0.000 0.775 98 G HN 0.260 nan 8.290 nan 0.000 0.501 99 I N 1.691 122.311 120.570 0.084 0.000 2.328 99 I HA 0.285 4.454 4.170 -0.000 0.000 0.287 99 I C -1.892 174.070 176.117 -0.259 0.000 1.012 99 I CA -2.251 58.997 61.300 -0.087 0.000 1.195 99 I CB 1.575 39.538 38.000 -0.062 0.000 1.350 99 I HN -0.051 nan 8.210 nan 0.000 0.464 100 P HA 0.207 nan 4.420 nan 0.000 0.278 100 P C -0.543 176.364 177.300 -0.654 0.000 1.238 100 P CA -0.226 62.265 63.100 -1.014 0.000 0.794 100 P CB 1.907 32.482 31.700 -1.874 0.000 0.955 101 V N 3.462 123.028 119.914 -0.579 0.000 2.472 101 V HA 0.410 4.530 4.120 -0.000 0.000 0.290 101 V C 0.168 175.846 176.094 -0.693 0.000 1.037 101 V CA -0.166 61.873 62.300 -0.435 0.000 0.908 101 V CB 0.531 32.220 31.823 -0.223 0.000 0.985 101 V HN 0.415 nan 8.190 nan 0.000 0.454 102 F N 3.122 122.968 119.950 -0.174 0.000 2.639 102 F HA 0.754 5.280 4.527 -0.001 0.000 0.339 102 F C 0.347 176.042 175.800 -0.175 0.000 1.071 102 F CA -0.533 57.358 58.000 -0.182 0.000 0.994 102 F CB 2.034 40.912 39.000 -0.203 0.000 1.341 102 F HN 0.700 nan 8.300 nan 0.000 0.498 103 N N 0.028 118.739 118.700 0.019 0.000 3.387 103 N HA 0.578 5.318 4.740 -0.000 0.000 0.294 103 N C -2.100 173.317 175.510 -0.154 0.000 1.519 103 N CA -0.761 52.230 53.050 -0.099 0.000 0.875 103 N CB 1.222 39.644 38.487 -0.108 0.000 1.657 103 N HN 0.676 nan 8.380 nan 0.000 0.527 104 A N 0.333 123.044 122.820 -0.182 0.000 3.030 104 A HA 0.515 4.835 4.320 -0.000 0.000 0.335 104 A C -1.933 175.492 177.584 -0.265 0.000 1.089 104 A CA -1.121 50.795 52.037 -0.203 0.000 0.807 104 A CB 0.630 19.526 19.000 -0.174 0.000 1.099 104 A HN 0.604 nan 8.150 nan 0.000 0.474 105 P HA -0.054 nan 4.420 nan 0.000 0.222 105 P C -0.047 176.755 177.300 -0.829 0.000 1.147 105 P CA 1.202 63.860 63.100 -0.738 0.000 0.790 105 P CB -0.030 30.985 31.700 -1.141 0.000 0.780 106 F N -1.099 118.758 119.950 -0.156 0.000 2.619 106 F HA 0.321 4.848 4.527 0.000 0.000 0.382 106 F C 1.102 176.802 175.800 -0.166 0.000 1.466 106 F CA -0.351 57.516 58.000 -0.222 0.000 1.137 106 F CB -0.289 38.412 39.000 -0.498 0.000 1.205 106 F HN -0.294 nan 8.300 nan 0.000 0.525 107 S N -0.323 115.369 115.700 -0.013 0.000 2.572 107 S HA 0.137 4.607 4.470 -0.000 0.000 0.228 107 S C 1.154 175.753 174.600 -0.002 0.000 0.963 107 S CA -0.001 58.189 58.200 -0.017 0.000 0.939 107 S CB -0.251 62.918 63.200 -0.052 0.000 0.804 107 S HN 0.460 nan 8.310 nan 0.000 0.480 108 N N 0.645 119.357 118.700 0.021 0.000 2.235 108 N HA 0.089 4.829 4.740 -0.000 0.000 0.231 108 N C 0.511 176.047 175.510 0.043 0.000 1.177 108 N CA 0.104 53.172 53.050 0.031 0.000 0.874 108 N CB 0.634 39.145 38.487 0.041 0.000 1.097 108 N HN 0.165 nan 8.380 nan 0.000 0.518 109 T N 1.008 115.586 114.554 0.040 0.000 2.643 109 T HA -0.161 4.189 4.350 -0.000 0.000 0.264 109 T C 1.985 176.697 174.700 0.019 0.000 1.045 109 T CA 1.159 63.282 62.100 0.038 0.000 1.155 109 T CB -0.045 68.841 68.868 0.030 0.000 0.863 109 T HN 0.172 nan 8.240 nan 0.000 0.420 110 R N 1.191 121.696 120.500 0.008 0.000 2.091 110 R HA -0.025 4.315 4.340 -0.000 0.000 0.238 110 R C 2.658 178.967 176.300 0.014 0.000 1.136 110 R CA 1.624 57.725 56.100 0.003 0.000 0.959 110 R CB -0.840 29.459 30.300 -0.002 0.000 0.856 110 R HN 0.211 nan 8.270 nan 0.000 0.437 111 S N -0.780 114.932 115.700 0.021 0.000 2.370 111 S HA -0.120 4.349 4.470 -0.000 0.000 0.226 111 S C 1.804 176.427 174.600 0.038 0.000 1.033 111 S CA 1.461 59.678 58.200 0.028 0.000 1.011 111 S CB -0.196 63.022 63.200 0.031 0.000 0.852 111 S HN 0.184 nan 8.310 nan 0.000 0.457 112 V N 1.534 121.478 119.914 0.050 0.000 2.379 112 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 112 V C 2.565 178.703 176.094 0.072 0.000 1.044 112 V CA 1.532 63.874 62.300 0.071 0.000 1.036 112 V CB -1.119 30.765 31.823 0.102 0.000 0.664 112 V HN 0.523 nan 8.190 nan 0.000 0.453 113 A N -0.451 122.394 122.820 0.042 0.000 1.902 113 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 113 A C 2.190 179.786 177.584 0.020 0.000 1.181 113 A CA 1.901 53.947 52.037 0.014 0.000 0.623 113 A CB -0.444 18.540 19.000 -0.026 0.000 0.818 113 A HN 0.603 nan 8.150 nan 0.000 0.443 114 E N -0.799 119.413 120.200 0.019 0.000 2.031 114 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 114 E C 1.987 178.602 176.600 0.025 0.000 0.994 114 E CA 1.281 57.692 56.400 0.017 0.000 0.800 114 E CB -0.326 29.382 29.700 0.014 0.000 0.752 114 E HN 0.487 nan 8.360 nan 0.000 0.447 115 L N 0.945 122.186 121.223 0.031 0.000 2.051 115 L HA -0.221 4.119 4.340 -0.000 0.000 0.214 115 L C 2.222 179.114 176.870 0.036 0.000 1.076 115 L CA 1.505 56.364 54.840 0.032 0.000 0.758 115 L CB -0.373 41.706 42.059 0.033 0.000 0.890 115 L HN -0.038 nan 8.230 nan 0.000 0.433 116 V N -0.541 119.405 119.914 0.052 0.000 2.307 116 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 116 V C 2.491 178.612 176.094 0.045 0.000 1.045 116 V CA 1.443 63.780 62.300 0.062 0.000 1.024 116 V CB -0.520 31.371 31.823 0.114 0.000 0.651 116 V HN 0.367 nan 8.190 nan 0.000 0.449 117 I N 1.342 121.933 120.570 0.035 0.000 2.143 117 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 117 I C 2.613 178.743 176.117 0.023 0.000 1.068 117 I CA 2.327 63.642 61.300 0.025 0.000 1.326 117 I CB -1.997 36.012 38.000 0.016 0.000 1.028 117 I HN 0.392 nan 8.210 nan 0.000 0.412 118 G N -0.118 108.695 108.800 0.022 0.000 2.418 118 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 118 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 118 G C 1.624 176.536 174.900 0.021 0.000 1.158 118 G CA 0.487 45.599 45.100 0.020 0.000 0.771 118 G HN 0.458 nan 8.290 nan 0.000 0.545 119 E N -0.089 120.125 120.200 0.023 0.000 2.072 119 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 119 E C 2.516 179.129 176.600 0.022 0.000 0.985 119 E CA 1.123 57.535 56.400 0.021 0.000 0.801 119 E CB -0.129 29.582 29.700 0.018 0.000 0.750 119 E HN 0.522 nan 8.360 nan 0.000 0.452 120 L N -0.794 120.445 121.223 0.026 0.000 2.131 120 L HA -0.028 4.312 4.340 -0.000 0.000 0.206 120 L C 2.045 178.932 176.870 0.028 0.000 1.087 120 L CA 1.273 56.129 54.840 0.026 0.000 0.767 120 L CB -0.748 41.330 42.059 0.031 0.000 0.917 120 L HN 0.003 nan 8.230 nan 0.000 0.441 121 L N -0.383 120.856 121.223 0.027 0.000 1.997 121 L HA -0.258 4.081 4.340 -0.000 0.000 0.216 121 L C 2.704 179.591 176.870 0.028 0.000 1.074 121 L CA 1.854 56.710 54.840 0.027 0.000 0.763 121 L CB -0.609 41.463 42.059 0.021 0.000 0.890 121 L HN 0.376 nan 8.230 nan 0.000 0.434 122 L N -1.164 120.073 121.223 0.024 0.000 2.179 122 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 122 L C 2.435 179.321 176.870 0.026 0.000 1.096 122 L CA 0.669 55.522 54.840 0.022 0.000 0.779 122 L CB -0.300 41.770 42.059 0.019 0.000 0.922 122 L HN 0.278 nan 8.230 nan 0.000 0.443 123 L N -0.333 120.906 121.223 0.027 0.000 2.093 123 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 123 L C 2.402 179.298 176.870 0.042 0.000 1.085 123 L CA 1.048 55.905 54.840 0.028 0.000 0.755 123 L CB -0.420 41.650 42.059 0.018 0.000 0.904 123 L HN 0.209 nan 8.230 nan 0.000 0.435 124 L N -0.491 120.764 121.223 0.054 0.000 2.265 124 L HA -0.131 4.208 4.340 -0.000 0.000 0.215 124 L C 2.283 179.225 176.870 0.119 0.000 1.117 124 L CA 0.710 55.609 54.840 0.098 0.000 0.782 124 L CB -0.380 41.743 42.059 0.107 0.000 0.914 124 L HN 0.251 nan 8.230 nan 0.000 0.441 125 R N 0.145 120.684 120.500 0.065 0.000 2.317 125 R HA 0.170 4.509 4.340 -0.000 0.000 0.208 125 R C 1.260 177.568 176.300 0.014 0.000 0.914 125 R CA 0.723 56.843 56.100 0.033 0.000 1.060 125 R CB -0.146 30.161 30.300 0.013 0.000 1.015 125 R HN 0.346 nan 8.270 nan 0.000 0.498 126 G N 1.232 110.048 108.800 0.027 0.000 2.225 126 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.267 126 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.267 126 G C 0.857 175.756 174.900 -0.001 0.000 1.024 126 G CA 0.521 45.630 45.100 0.015 0.000 0.784 126 G HN 0.224 nan 8.290 nan 0.000 0.507 127 V N 0.412 120.327 119.914 0.002 0.000 2.323 127 V HA -0.081 4.039 4.120 -0.000 0.000 0.244 127 V C 0.844 176.943 176.094 0.009 0.000 1.041 127 V CA 2.405 64.703 62.300 -0.004 0.000 1.025 127 V CB -0.774 31.050 31.823 0.002 0.000 0.656 127 V HN 0.373 nan 8.190 nan 0.000 0.451 128 P HA -0.191 nan 4.420 nan 0.000 0.216 128 P C 1.632 178.952 177.300 0.032 0.000 1.150 128 P CA 1.515 64.631 63.100 0.027 0.000 0.837 128 P CB 0.098 31.818 31.700 0.033 0.000 0.786 129 E N -0.477 119.743 120.200 0.033 0.000 2.110 129 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 129 E C 1.979 178.591 176.600 0.021 0.000 0.988 129 E CA 1.093 57.515 56.400 0.037 0.000 0.804 129 E CB -0.547 29.176 29.700 0.040 0.000 0.745 129 E HN 0.050 nan 8.360 nan 0.000 0.458 130 A N 1.047 123.864 122.820 -0.004 0.000 1.883 130 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 130 A C 2.016 179.604 177.584 0.006 0.000 1.186 130 A CA 1.979 53.993 52.037 -0.038 0.000 0.624 130 A CB -0.869 18.081 19.000 -0.084 0.000 0.822 130 A HN 0.328 nan 8.150 nan 0.000 0.444 131 N N -0.160 118.570 118.700 0.049 0.000 2.142 131 N HA -0.038 4.702 4.740 -0.000 0.000 0.186 131 N C 1.751 177.391 175.510 0.215 0.000 1.023 131 N CA 1.812 54.954 53.050 0.154 0.000 0.852 131 N CB -0.347 38.205 38.487 0.109 0.000 0.998 131 N HN 0.365 nan 8.380 nan 0.000 0.424 132 A N 0.539 123.412 122.820 0.089 0.000 1.877 132 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 132 A C 2.132 179.779 177.584 0.104 0.000 1.186 132 A CA 1.472 53.550 52.037 0.068 0.000 0.620 132 A CB -0.548 18.474 19.000 0.036 0.000 0.822 132 A HN 0.319 nan 8.150 nan 0.000 0.443 133 K N -0.383 120.066 120.400 0.081 0.000 2.032 133 K HA -0.106 4.213 4.320 -0.000 0.000 0.209 133 K C 2.301 178.961 176.600 0.100 0.000 1.048 133 K CA 1.260 57.592 56.287 0.075 0.000 0.927 133 K CB -0.358 32.169 32.500 0.046 0.000 0.712 133 K HN 0.445 nan 8.250 nan 0.000 0.441 134 A N 0.962 123.841 122.820 0.099 0.000 1.908 134 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 134 A C 1.706 179.344 177.584 0.091 0.000 1.181 134 A CA 1.460 53.552 52.037 0.092 0.000 0.627 134 A CB -0.778 18.241 19.000 0.033 0.000 0.818 134 A HN 0.375 nan 8.150 nan 0.000 0.445 135 H N -0.516 118.583 119.070 0.048 0.000 2.546 135 H HA -0.008 4.548 4.556 -0.000 0.000 0.277 135 H C 1.046 176.400 175.328 0.044 0.000 1.004 135 H CA 1.228 57.303 56.048 0.045 0.000 1.231 135 H CB 0.133 29.915 29.762 0.034 0.000 1.382 135 H HN 0.676 nan 8.280 nan 0.000 0.580 136 R N -0.542 120.045 120.500 0.145 0.000 2.696 136 R HA 0.298 4.638 4.340 -0.000 0.000 0.355 136 R C 0.880 177.228 176.300 0.079 0.000 1.138 136 R CA 0.318 56.475 56.100 0.096 0.000 1.059 136 R CB 0.290 30.637 30.300 0.078 0.000 1.380 136 R HN 0.114 nan 8.270 nan 0.000 0.578 137 G N 0.376 109.227 108.800 0.084 0.000 2.176 137 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 137 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 137 G C 0.017 174.984 174.900 0.112 0.000 0.979 137 G CA 0.107 45.257 45.100 0.083 0.000 0.641 137 G HN 0.205 nan 8.290 nan 0.000 0.530 138 V N 1.648 121.635 119.914 0.121 0.000 2.383 138 V HA 0.539 4.659 4.120 -0.000 0.000 0.275 138 V C 0.382 176.595 176.094 0.198 0.000 1.036 138 V CA -0.897 61.487 62.300 0.140 0.000 0.889 138 V CB 1.416 33.296 31.823 0.096 0.000 0.985 138 V HN 0.314 nan 8.190 nan 0.000 0.459 139 W N 5.852 127.159 121.300 0.012 0.000 2.438 139 W HA 0.491 5.151 4.660 -0.000 0.000 0.324 139 W C -0.271 176.255 176.519 0.013 0.000 1.119 139 W CA -0.512 56.839 57.345 0.010 0.000 1.221 139 W CB 1.586 31.048 29.460 0.003 0.000 1.253 139 W HN 0.654 nan 8.180 nan 0.000 0.555 140 N N 4.361 122.941 118.700 -0.201 0.000 2.785 140 N HA 0.067 4.807 4.740 -0.000 0.000 0.224 140 N C -1.770 173.595 175.510 -0.242 0.000 1.448 140 N CA -0.361 52.623 53.050 -0.110 0.000 0.748 140 N CB 0.276 38.726 38.487 -0.060 0.000 1.385 140 N HN 0.381 nan 8.380 nan 0.000 0.538 141 K N 3.034 123.279 120.400 -0.258 0.000 2.240 141 K HA 0.719 5.039 4.320 -0.000 0.000 0.271 141 K C -0.718 175.833 176.600 -0.081 0.000 1.018 141 K CA -0.595 55.546 56.287 -0.243 0.000 0.874 141 K CB 0.900 33.230 32.500 -0.282 0.000 1.098 141 K HN 0.311 nan 8.250 nan 0.000 0.458 142 L N -0.254 120.918 121.223 -0.085 0.000 2.720 142 L HA 0.797 5.137 4.340 -0.000 0.000 0.261 142 L C -0.868 175.959 176.870 -0.072 0.000 1.046 142 L CA -0.854 53.955 54.840 -0.052 0.000 0.886 142 L CB 1.627 43.664 42.059 -0.036 0.000 1.493 142 L HN 0.649 nan 8.230 nan 0.000 0.407 143 A N 0.651 123.427 122.820 -0.074 0.000 2.343 143 A HA 0.688 5.008 4.320 -0.000 0.000 0.223 143 A C 0.937 178.426 177.584 -0.159 0.000 1.214 143 A CA 0.515 52.485 52.037 -0.112 0.000 0.900 143 A CB -0.032 18.908 19.000 -0.100 0.000 0.942 143 A HN 0.983 nan 8.150 nan 0.000 0.507 144 A N -0.372 122.380 122.820 -0.114 0.000 2.454 144 A HA 0.479 4.799 4.320 -0.000 0.000 0.260 144 A C 1.522 179.038 177.584 -0.113 0.000 1.106 144 A CA 0.497 52.464 52.037 -0.116 0.000 0.780 144 A CB -0.654 18.315 19.000 -0.052 0.000 1.044 144 A HN 1.870 nan 8.150 nan 0.000 0.498 145 G N 2.023 110.716 108.800 -0.179 0.000 2.179 145 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 145 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 145 G C 0.489 175.378 174.900 -0.018 0.000 0.977 145 G CA 0.475 45.589 45.100 0.023 0.000 0.641 145 G HN 1.098 nan 8.290 nan 0.000 0.533 146 S N -0.225 115.310 115.700 -0.276 0.000 2.554 146 S HA 0.835 5.305 4.470 -0.000 0.000 0.278 146 S C -0.504 173.836 174.600 -0.434 0.000 1.242 146 S CA -0.126 57.972 58.200 -0.170 0.000 1.051 146 S CB 1.001 64.129 63.200 -0.120 0.000 0.986 146 S HN 0.362 nan 8.310 nan 0.000 0.502 147 F N 0.405 120.351 119.950 -0.006 0.000 2.645 147 F HA 0.348 4.875 4.527 -0.000 0.000 0.310 147 F C 0.218 176.017 175.800 -0.001 0.000 1.102 147 F CA -1.038 56.961 58.000 -0.001 0.000 0.952 147 F CB 1.482 40.483 39.000 0.002 0.000 1.326 147 F HN 0.438 nan 8.300 nan 0.000 0.456 148 E N 0.473 120.793 120.200 0.200 0.000 2.349 148 E HA 0.447 4.797 4.350 -0.000 0.000 0.265 148 E C 0.323 176.986 176.600 0.105 0.000 1.064 148 E CA -0.069 56.400 56.400 0.114 0.000 0.886 148 E CB 1.385 31.130 29.700 0.075 0.000 1.036 148 E HN 0.712 nan 8.360 nan 0.000 0.413 149 A N 3.343 126.199 122.820 0.059 0.000 1.873 149 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 149 A C 1.375 178.965 177.584 0.010 0.000 1.186 149 A CA 0.712 52.770 52.037 0.034 0.000 0.616 149 A CB -0.180 18.832 19.000 0.021 0.000 0.823 149 A HN 0.570 nan 8.150 nan 0.000 0.442 150 R N 0.073 120.570 120.500 -0.005 0.000 2.504 150 R HA 0.169 4.508 4.340 -0.000 0.000 0.291 150 R C 1.105 177.379 176.300 -0.043 0.000 0.974 150 R CA 1.212 57.282 56.100 -0.050 0.000 1.077 150 R CB -0.408 29.870 30.300 -0.037 0.000 0.926 150 R HN 1.015 nan 8.270 nan 0.000 0.407 151 G N 3.471 112.176 108.800 -0.158 0.000 2.284 151 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.247 151 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.247 151 G C -0.169 174.836 174.900 0.176 0.000 1.012 151 G CA 0.239 45.327 45.100 -0.019 0.000 0.618 151 G HN 0.558 nan 8.290 nan 0.000 0.521 152 K N 1.196 121.645 120.400 0.082 0.000 2.319 152 K HA 0.416 4.736 4.320 -0.000 0.000 0.265 152 K C 0.499 177.201 176.600 0.171 0.000 1.000 152 K CA 0.010 56.356 56.287 0.098 0.000 0.943 152 K CB 0.616 33.135 32.500 0.032 0.000 0.950 152 K HN 0.417 nan 8.250 nan 0.000 0.485 153 K N 1.689 122.192 120.400 0.172 0.000 2.248 153 K HA 0.228 4.548 4.320 -0.000 0.000 0.281 153 K C -0.319 176.384 176.600 0.171 0.000 1.054 153 K CA -0.741 55.692 56.287 0.243 0.000 0.903 153 K CB 0.754 33.328 32.500 0.123 0.000 1.077 153 K HN 0.184 nan 8.250 nan 0.000 0.474 154 L N 2.231 123.588 121.223 0.222 0.000 2.275 154 L HA 0.443 4.782 4.340 -0.000 0.000 0.288 154 L C -0.098 176.908 176.870 0.227 0.000 1.046 154 L CA 0.101 55.043 54.840 0.170 0.000 0.805 154 L CB 1.311 43.451 42.059 0.135 0.000 1.193 154 L HN 0.675 nan 8.230 nan 0.000 0.426 155 G N 6.781 115.684 108.800 0.172 0.000 2.504 155 G HA2 0.463 4.423 3.960 -0.000 0.000 0.326 155 G HA3 0.463 4.423 3.960 -0.000 0.000 0.326 155 G C -0.389 174.640 174.900 0.215 0.000 1.073 155 G CA -0.413 44.802 45.100 0.193 0.000 1.030 155 G HN 0.617 nan 8.290 nan 0.000 0.448 156 I N 2.661 123.398 120.570 0.279 0.000 2.342 156 I HA 0.276 4.445 4.170 -0.000 0.000 0.291 156 I C -0.037 176.283 176.117 0.338 0.000 1.010 156 I CA -0.339 61.132 61.300 0.285 0.000 1.308 156 I CB 1.548 39.719 38.000 0.285 0.000 1.400 156 I HN 0.228 nan 8.210 nan 0.000 0.488 157 I N 5.958 126.717 120.570 0.315 0.000 2.359 157 I HA 0.438 4.608 4.170 -0.000 0.000 0.284 157 I C 0.307 176.602 176.117 0.296 0.000 1.018 157 I CA -0.246 61.249 61.300 0.326 0.000 1.173 157 I CB 1.334 39.482 38.000 0.247 0.000 1.326 157 I HN 0.838 nan 8.210 nan 0.000 0.462 158 G N 5.101 114.061 108.800 0.268 0.000 3.055 158 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.654 158 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.654 158 G C -1.031 173.938 174.900 0.116 0.000 1.134 158 G CA -0.767 44.438 45.100 0.174 0.000 1.049 158 G HN 0.622 nan 8.290 nan 0.000 0.458 159 Y N 3.168 123.370 120.300 -0.162 0.000 2.850 159 Y HA 0.537 5.086 4.550 -0.001 0.000 0.360 159 Y C 1.076 176.778 175.900 -0.329 0.000 1.174 159 Y CA 0.311 58.185 58.100 -0.376 0.000 1.373 159 Y CB 0.009 37.907 38.460 -0.937 0.000 1.487 159 Y HN 0.685 nan 8.280 nan 0.000 0.553 160 G N 0.211 108.823 108.800 -0.313 0.000 3.075 160 G HA2 0.022 3.982 3.960 -0.000 0.000 0.156 160 G HA3 0.022 3.982 3.960 -0.000 0.000 0.156 160 G C 0.290 174.919 174.900 -0.453 0.000 1.403 160 G CA -0.194 44.711 45.100 -0.325 0.000 1.033 160 G HN 0.553 nan 8.290 nan 0.000 0.589 161 H N -0.835 118.050 119.070 -0.308 0.000 2.387 161 H HA 0.055 4.611 4.556 -0.000 0.000 0.299 161 H C 2.398 177.579 175.328 -0.244 0.000 1.090 161 H CA 1.655 57.523 56.048 -0.300 0.000 1.332 161 H CB 0.086 29.664 29.762 -0.308 0.000 1.386 161 H HN 0.195 nan 8.280 nan 0.000 0.516 162 I N -0.940 119.588 120.570 -0.070 0.000 2.364 162 I HA -0.051 4.119 4.170 -0.000 0.000 0.241 162 I C 2.776 178.696 176.117 -0.328 0.000 1.082 162 I CA 0.760 61.995 61.300 -0.109 0.000 1.401 162 I CB -0.618 37.413 38.000 0.051 0.000 1.126 162 I HN 0.347 nan 8.210 nan 0.000 0.429 163 G N 0.942 109.483 108.800 -0.430 0.000 2.679 163 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.222 163 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.222 163 G C 1.605 176.177 174.900 -0.546 0.000 1.164 163 G CA 2.086 46.889 45.100 -0.495 0.000 0.769 163 G HN 0.302 nan 8.290 nan 0.000 0.610 164 T N 0.133 114.188 114.554 -0.831 0.000 2.746 164 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 164 T C 2.361 176.844 174.700 -0.363 0.000 1.039 164 T CA 1.835 63.417 62.100 -0.863 0.000 1.142 164 T CB -0.163 68.201 68.868 -0.839 0.000 0.866 164 T HN 0.409 nan 8.240 nan 0.000 0.444 165 Q N 0.640 120.277 119.800 -0.273 0.000 2.096 165 Q HA 0.057 4.397 4.340 -0.000 0.000 0.197 165 Q C 2.129 178.056 176.000 -0.123 0.000 0.964 165 Q CA 0.937 56.648 55.803 -0.153 0.000 0.838 165 Q CB -0.633 28.042 28.738 -0.105 0.000 0.906 165 Q HN 0.451 nan 8.270 nan 0.000 0.444 166 L N 0.010 121.137 121.223 -0.160 0.000 2.013 166 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 166 L C 2.027 178.861 176.870 -0.061 0.000 1.073 166 L CA 2.628 57.396 54.840 -0.120 0.000 0.753 166 L CB -1.177 40.752 42.059 -0.216 0.000 0.890 166 L HN 0.301 nan 8.230 nan 0.000 0.432 167 G N -0.202 108.570 108.800 -0.047 0.000 2.446 167 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 167 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 167 G C 1.616 176.533 174.900 0.029 0.000 1.168 167 G CA 1.248 46.380 45.100 0.054 0.000 0.771 167 G HN 0.505 nan 8.290 nan 0.000 0.551 168 I N 0.273 120.840 120.570 -0.004 0.000 2.099 168 I HA -0.178 3.992 4.170 -0.000 0.000 0.239 168 I C 2.778 178.886 176.117 -0.014 0.000 1.066 168 I CA 0.879 62.173 61.300 -0.010 0.000 1.324 168 I CB -0.296 37.686 38.000 -0.030 0.000 1.037 168 I HN 0.116 nan 8.210 nan 0.000 0.401 169 L N 0.379 121.589 121.223 -0.021 0.000 2.127 169 L HA -0.260 4.080 4.340 -0.000 0.000 0.211 169 L C 2.773 179.635 176.870 -0.013 0.000 1.089 169 L CA 1.398 56.227 54.840 -0.017 0.000 0.757 169 L CB -0.579 41.470 42.059 -0.017 0.000 0.899 169 L HN 0.311 nan 8.230 nan 0.000 0.434 170 A N 0.523 123.339 122.820 -0.007 0.000 1.873 170 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 170 A C 2.152 179.722 177.584 -0.022 0.000 1.186 170 A CA 1.570 53.605 52.037 -0.004 0.000 0.616 170 A CB -0.452 18.560 19.000 0.019 0.000 0.823 170 A HN 0.626 nan 8.150 nan 0.000 0.442 171 E N -0.534 119.654 120.200 -0.019 0.000 2.208 171 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 171 E C 1.723 178.294 176.600 -0.048 0.000 0.988 171 E CA 1.175 57.549 56.400 -0.043 0.000 0.828 171 E CB -0.365 29.317 29.700 -0.030 0.000 0.763 171 E HN 0.370 nan 8.360 nan 0.000 0.478 172 S N 0.479 116.161 115.700 -0.031 0.000 2.440 172 S HA -0.073 4.397 4.470 -0.000 0.000 0.238 172 S C 1.337 175.916 174.600 -0.035 0.000 1.010 172 S CA 0.745 58.928 58.200 -0.028 0.000 0.972 172 S CB -0.062 63.126 63.200 -0.020 0.000 0.774 172 S HN 0.189 nan 8.310 nan 0.000 0.501 173 L N 0.141 121.340 121.223 -0.040 0.000 2.628 173 L HA 0.345 4.684 4.340 -0.000 0.000 0.229 173 L C 1.535 178.365 176.870 -0.066 0.000 1.137 173 L CA 0.640 55.456 54.840 -0.040 0.000 0.909 173 L CB -0.287 41.756 42.059 -0.026 0.000 1.137 173 L HN 0.380 nan 8.230 nan 0.000 0.470 174 G N -1.120 107.619 108.800 -0.103 0.000 2.176 174 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.232 174 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.232 174 G C 0.453 175.169 174.900 -0.307 0.000 0.986 174 G CA 0.018 45.012 45.100 -0.176 0.000 0.643 174 G HN 0.236 nan 8.290 nan 0.000 0.522 175 M N 0.446 119.916 119.600 -0.216 0.000 2.249 175 M HA 0.523 5.003 4.480 -0.000 0.000 0.351 175 M C -0.034 176.131 176.300 -0.225 0.000 1.180 175 M CA -0.642 54.538 55.300 -0.200 0.000 1.127 175 M CB 0.658 33.232 32.600 -0.044 0.000 1.546 175 M HN 0.123 nan 8.290 nan 0.000 0.461 176 Y N 1.266 121.603 120.300 0.063 0.000 2.336 176 Y HA 0.390 4.939 4.550 -0.001 0.000 0.335 176 Y C 0.028 175.952 175.900 0.040 0.000 1.046 176 Y CA -0.748 57.376 58.100 0.040 0.000 1.198 176 Y CB 0.319 38.858 38.460 0.131 0.000 1.182 176 Y HN 0.280 nan 8.280 nan 0.000 0.502 177 V N 5.128 125.019 119.914 -0.038 0.000 2.398 177 V HA 0.364 4.484 4.120 -0.000 0.000 0.286 177 V C -0.824 175.054 176.094 -0.360 0.000 1.026 177 V CA -1.113 61.160 62.300 -0.045 0.000 0.868 177 V CB 0.398 32.239 31.823 0.031 0.000 0.982 177 V HN 0.568 nan 8.190 nan 0.000 0.443 178 Y N 5.111 125.459 120.300 0.080 0.000 2.524 178 Y HA 0.822 5.372 4.550 -0.000 0.000 0.344 178 Y C -0.213 175.740 175.900 0.088 0.000 1.012 178 Y CA -1.089 57.007 58.100 -0.008 0.000 1.068 178 Y CB 2.057 40.505 38.460 -0.020 0.000 1.249 178 Y HN 0.673 nan 8.280 nan 0.000 0.468 179 F N -0.002 119.987 119.950 0.066 0.000 2.662 179 F HA 0.723 5.249 4.527 -0.001 0.000 0.312 179 F C -2.208 173.649 175.800 0.096 0.000 1.113 179 F CA -2.038 55.995 58.000 0.055 0.000 0.951 179 F CB 1.484 40.424 39.000 -0.101 0.000 1.344 179 F HN 0.421 nan 8.300 nan 0.000 0.462 180 Y N 1.382 121.917 120.300 0.393 0.000 2.442 180 Y HA 0.651 5.201 4.550 -0.000 0.000 0.344 180 Y C -1.752 174.322 175.900 0.289 0.000 0.976 180 Y CA -0.531 57.711 58.100 0.236 0.000 1.040 180 Y CB 1.489 40.023 38.460 0.123 0.000 1.228 180 Y HN 0.933 nan 8.280 nan 0.000 0.451 181 D N 3.805 123.896 120.400 -0.514 0.000 2.599 181 D HA 0.181 4.821 4.640 -0.000 0.000 0.252 181 D C 0.040 175.970 176.300 -0.615 0.000 1.232 181 D CA -0.374 53.410 54.000 -0.360 0.000 0.819 181 D CB 1.896 42.672 40.800 -0.040 0.000 1.401 181 D HN 0.600 nan 8.370 nan 0.000 0.429 182 I N -0.549 119.831 120.570 -0.317 0.000 3.226 182 I HA 0.238 4.408 4.170 -0.000 0.000 0.277 182 I C 0.899 176.935 176.117 -0.136 0.000 1.243 182 I CA 0.294 61.460 61.300 -0.222 0.000 1.459 182 I CB -0.310 37.653 38.000 -0.061 0.000 1.093 182 I HN 0.331 nan 8.210 nan 0.000 0.453 183 E N 1.534 121.672 120.200 -0.103 0.000 2.243 183 E HA 0.318 4.668 4.350 -0.000 0.000 0.260 183 E C -0.838 175.734 176.600 -0.047 0.000 0.985 183 E CA -0.790 55.572 56.400 -0.063 0.000 0.858 183 E CB 0.791 30.469 29.700 -0.037 0.000 1.210 183 E HN 0.307 nan 8.360 nan 0.000 0.411 184 N N 1.843 120.527 118.700 -0.027 0.000 2.422 184 N HA 0.147 4.887 4.740 -0.000 0.000 0.264 184 N C -0.767 174.759 175.510 0.027 0.000 1.063 184 N CA -0.285 52.764 53.050 -0.002 0.000 0.959 184 N CB 0.908 39.385 38.487 -0.015 0.000 1.087 184 N HN 0.254 nan 8.380 nan 0.000 0.483 185 K N 1.989 122.441 120.400 0.085 0.000 2.318 185 K HA 0.328 4.648 4.320 -0.000 0.000 0.249 185 K C -0.774 175.894 176.600 0.114 0.000 0.942 185 K CA -0.949 55.390 56.287 0.086 0.000 0.808 185 K CB 2.399 34.946 32.500 0.078 0.000 1.189 185 K HN 0.303 nan 8.250 nan 0.000 0.428 186 L N 4.618 125.887 121.223 0.077 0.000 2.325 186 L HA 0.241 4.581 4.340 -0.000 0.000 0.284 186 L C -2.291 174.659 176.870 0.133 0.000 1.089 186 L CA -1.157 53.730 54.840 0.078 0.000 0.836 186 L CB 0.163 42.245 42.059 0.037 0.000 1.184 186 L HN 0.338 nan 8.230 nan 0.000 0.444 187 P HA 0.118 nan 4.420 nan 0.000 0.267 187 P C -0.947 176.435 177.300 0.136 0.000 1.201 187 P CA 0.136 63.333 63.100 0.162 0.000 0.775 187 P CB 0.441 32.190 31.700 0.081 0.000 0.854 188 L N 0.624 121.951 121.223 0.174 0.000 2.303 188 L HA 0.608 4.948 4.340 -0.000 0.000 0.266 188 L C 1.528 178.440 176.870 0.071 0.000 1.011 188 L CA -0.941 53.957 54.840 0.096 0.000 0.818 188 L CB 0.850 42.956 42.059 0.079 0.000 1.326 188 L HN 0.637 nan 8.230 nan 0.000 0.435 189 G N 1.238 110.060 108.800 0.036 0.000 2.648 189 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.357 189 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.357 189 G C 0.411 175.319 174.900 0.014 0.000 1.342 189 G CA 0.658 45.770 45.100 0.020 0.000 0.978 189 G HN 0.821 nan 8.290 nan 0.000 0.532 190 N N 2.016 120.717 118.700 0.001 0.000 2.320 190 N HA 0.435 5.175 4.740 -0.000 0.000 0.237 190 N C 0.866 176.331 175.510 -0.074 0.000 1.129 190 N CA 0.587 53.621 53.050 -0.026 0.000 0.854 190 N CB 0.442 38.921 38.487 -0.014 0.000 1.083 190 N HN 0.866 nan 8.380 nan 0.000 0.504 191 A N 0.558 123.357 122.820 -0.036 0.000 2.475 191 A HA 0.378 4.698 4.320 -0.000 0.000 0.239 191 A C 0.356 177.824 177.584 -0.192 0.000 1.087 191 A CA 0.514 52.511 52.037 -0.066 0.000 0.779 191 A CB 0.257 19.322 19.000 0.109 0.000 1.036 191 A HN 0.147 nan 8.150 nan 0.000 0.506 192 T N 1.145 115.477 114.554 -0.369 0.000 2.991 192 T HA 0.386 4.736 4.350 -0.000 0.000 0.303 192 T C -0.483 173.712 174.700 -0.842 0.000 1.015 192 T CA -0.359 61.466 62.100 -0.460 0.000 1.007 192 T CB 1.336 69.983 68.868 -0.368 0.000 1.034 192 T HN 0.755 nan 8.240 nan 0.000 0.446 193 Q N 2.177 121.398 119.800 -0.965 0.000 2.332 193 Q HA 0.497 4.837 4.340 -0.000 0.000 0.263 193 Q C -1.013 174.682 176.000 -0.509 0.000 0.979 193 Q CA -0.195 54.877 55.803 -1.217 0.000 0.885 193 Q CB 0.617 28.937 28.738 -0.696 0.000 1.218 193 Q HN 0.473 nan 8.270 nan 0.000 0.405 194 V N 4.882 124.592 119.914 -0.339 0.000 2.448 194 V HA 0.084 4.204 4.120 -0.000 0.000 0.295 194 V C 0.480 176.579 176.094 0.009 0.000 1.025 194 V CA -0.587 61.670 62.300 -0.071 0.000 0.859 194 V CB 1.667 33.508 31.823 0.030 0.000 0.988 194 V HN 0.915 nan 8.190 nan 0.000 0.431 195 Q N 2.219 122.019 119.800 0.001 0.000 2.119 195 Q HA 0.015 4.355 4.340 -0.000 0.000 0.201 195 Q C 0.375 176.250 176.000 -0.207 0.000 0.972 195 Q CA 1.288 57.027 55.803 -0.108 0.000 0.847 195 Q CB 0.102 28.758 28.738 -0.136 0.000 0.903 195 Q HN 0.728 nan 8.270 nan 0.000 0.433 196 H N -0.208 118.937 119.070 0.126 0.000 2.495 196 H HA 0.086 4.642 4.556 -0.001 0.000 0.348 196 H C 0.910 176.235 175.328 -0.005 0.000 1.113 196 H CA -0.462 55.645 56.048 0.098 0.000 1.195 196 H CB 1.996 31.773 29.762 0.025 0.000 1.521 196 H HN -0.001 nan 8.280 nan 0.000 0.509 197 L N 3.241 124.355 121.223 -0.183 0.000 2.131 197 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 197 L C 2.241 179.003 176.870 -0.180 0.000 1.092 197 L CA 2.009 56.566 54.840 -0.472 0.000 0.759 197 L CB -0.465 41.009 42.059 -0.975 0.000 0.903 197 L HN 0.648 nan 8.230 nan 0.000 0.435 198 S N -1.584 114.066 115.700 -0.083 0.000 2.402 198 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 198 S C 1.645 176.223 174.600 -0.037 0.000 1.021 198 S CA 1.117 59.285 58.200 -0.052 0.000 0.974 198 S CB -0.748 62.429 63.200 -0.039 0.000 0.800 198 S HN 0.535 nan 8.310 nan 0.000 0.484 199 D N 1.530 121.932 120.400 0.002 0.000 2.117 199 D HA 0.013 4.653 4.640 -0.000 0.000 0.198 199 D C 1.856 178.129 176.300 -0.046 0.000 0.982 199 D CA 1.062 55.055 54.000 -0.011 0.000 0.828 199 D CB -0.372 40.455 40.800 0.046 0.000 0.967 199 D HN 0.417 nan 8.370 nan 0.000 0.464 200 L N 0.011 121.218 121.223 -0.027 0.000 2.072 200 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 200 L C 1.958 178.799 176.870 -0.049 0.000 1.079 200 L CA 1.025 55.847 54.840 -0.030 0.000 0.752 200 L CB -0.090 41.995 42.059 0.043 0.000 0.906 200 L HN 0.026 nan 8.230 nan 0.000 0.436 201 L N -0.162 121.029 121.223 -0.053 0.000 2.046 201 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 201 L C 2.204 179.045 176.870 -0.049 0.000 1.077 201 L CA 1.113 55.925 54.840 -0.046 0.000 0.747 201 L CB -0.950 41.081 42.059 -0.047 0.000 0.896 201 L HN 0.367 nan 8.230 nan 0.000 0.432 202 N N 0.331 118.997 118.700 -0.056 0.000 2.364 202 N HA -0.163 4.576 4.740 -0.000 0.000 0.183 202 N C 1.842 177.301 175.510 -0.085 0.000 1.022 202 N CA 1.549 54.565 53.050 -0.058 0.000 0.883 202 N CB -0.053 38.399 38.487 -0.058 0.000 0.965 202 N HN 0.550 nan 8.380 nan 0.000 0.438 203 M N -1.933 117.596 119.600 -0.119 0.000 2.545 203 M HA 0.232 4.712 4.480 -0.000 0.000 0.264 203 M C 0.352 176.559 176.300 -0.156 0.000 1.155 203 M CA 0.260 55.457 55.300 -0.171 0.000 1.162 203 M CB 0.123 32.549 32.600 -0.289 0.000 1.330 203 M HN -0.285 nan 8.290 nan 0.000 0.479 204 S N 2.532 118.162 115.700 -0.116 0.000 2.564 204 S HA 0.059 4.529 4.470 -0.000 0.000 0.278 204 S C 0.320 174.879 174.600 -0.070 0.000 1.333 204 S CA -0.501 57.657 58.200 -0.071 0.000 1.048 204 S CB 0.926 64.115 63.200 -0.019 0.000 0.900 204 S HN 0.336 nan 8.310 nan 0.000 0.505 205 D N 0.944 121.312 120.400 -0.054 0.000 2.213 205 D HA 0.063 4.703 4.640 -0.000 0.000 0.205 205 D C 0.165 176.429 176.300 -0.060 0.000 0.961 205 D CA 0.955 54.904 54.000 -0.085 0.000 0.853 205 D CB 0.330 41.075 40.800 -0.092 0.000 0.967 205 D HN 0.227 nan 8.370 nan 0.000 0.496 206 V N 1.033 120.939 119.914 -0.014 0.000 2.709 206 V HA 0.334 4.454 4.120 -0.000 0.000 0.308 206 V C -0.330 175.784 176.094 0.033 0.000 1.062 206 V CA -0.813 61.489 62.300 0.004 0.000 0.901 206 V CB 2.975 34.813 31.823 0.024 0.000 1.003 206 V HN -0.283 nan 8.190 nan 0.000 0.425 207 V N 2.926 122.857 119.914 0.030 0.000 2.487 207 V HA 0.728 4.847 4.120 -0.000 0.000 0.298 207 V C -0.162 175.973 176.094 0.069 0.000 1.028 207 V CA -0.278 62.056 62.300 0.057 0.000 0.860 207 V CB 1.856 33.697 31.823 0.030 0.000 0.991 207 V HN 0.895 nan 8.190 nan 0.000 0.427 208 S N 5.375 121.154 115.700 0.132 0.000 2.536 208 S HA 0.819 5.289 4.470 -0.000 0.000 0.287 208 S C -1.245 173.491 174.600 0.227 0.000 1.101 208 S CA -0.534 57.765 58.200 0.165 0.000 0.950 208 S CB 1.310 64.681 63.200 0.285 0.000 1.056 208 S HN 0.559 nan 8.310 nan 0.000 0.481 209 L N 5.143 126.316 121.223 -0.082 0.000 2.322 209 L HA 0.598 4.938 4.340 -0.000 0.000 0.281 209 L C -0.280 176.266 176.870 -0.539 0.000 1.014 209 L CA -0.529 54.252 54.840 -0.098 0.000 0.815 209 L CB 1.495 43.491 42.059 -0.106 0.000 1.247 209 L HN 0.771 nan 8.230 nan 0.000 0.421 210 H N 3.605 122.701 119.070 0.043 0.000 2.597 210 H HA 0.284 4.840 4.556 -0.000 0.000 0.225 210 H C -0.574 174.782 175.328 0.045 0.000 1.422 210 H CA -0.283 55.785 56.048 0.033 0.000 1.335 210 H CB 0.947 30.721 29.762 0.019 0.000 1.783 210 H HN 0.410 nan 8.280 nan 0.000 0.513 211 V N -0.817 119.154 119.914 0.094 0.000 3.267 211 V HA 0.737 4.857 4.120 -0.000 0.000 0.317 211 V C -2.455 173.681 176.094 0.070 0.000 1.131 211 V CA -2.258 60.097 62.300 0.092 0.000 1.031 211 V CB 2.145 34.020 31.823 0.087 0.000 1.159 211 V HN 0.129 nan 8.190 nan 0.000 0.454 212 P HA 0.434 nan 4.420 nan 0.000 0.292 212 P C -1.333 175.994 177.300 0.046 0.000 1.304 212 P CA -0.615 62.523 63.100 0.065 0.000 0.848 212 P CB 1.087 32.833 31.700 0.077 0.000 1.260 213 E N 1.109 121.333 120.200 0.039 0.000 2.089 213 E HA 0.331 4.681 4.350 -0.000 0.000 0.284 213 E C -0.777 175.843 176.600 0.032 0.000 1.023 213 E CA -0.348 56.070 56.400 0.031 0.000 0.819 213 E CB -0.162 29.555 29.700 0.028 0.000 1.076 213 E HN 0.486 nan 8.360 nan 0.000 0.396 214 N N 2.874 121.594 118.700 0.033 0.000 3.185 214 N HA 0.229 4.969 4.740 -0.000 0.000 0.238 214 N C -2.698 172.831 175.510 0.032 0.000 1.451 214 N CA -1.312 51.757 53.050 0.032 0.000 0.888 214 N CB 0.858 39.365 38.487 0.035 0.000 1.413 214 N HN 0.016 nan 8.380 nan 0.000 0.511 215 P HA -0.265 nan 4.420 nan 0.000 0.217 215 P C 1.236 178.556 177.300 0.033 0.000 1.158 215 P CA 2.946 66.063 63.100 0.028 0.000 0.887 215 P CB -0.004 31.712 31.700 0.026 0.000 0.792 216 S N -1.296 114.428 115.700 0.040 0.000 2.368 216 S HA -0.180 4.289 4.470 -0.000 0.000 0.225 216 S C 1.979 176.611 174.600 0.053 0.000 1.030 216 S CA 2.124 60.354 58.200 0.050 0.000 0.999 216 S CB -2.054 61.182 63.200 0.060 0.000 0.844 216 S HN 0.354 nan 8.310 nan 0.000 0.459 217 T N -1.222 113.361 114.554 0.050 0.000 3.067 217 T HA 0.182 4.532 4.350 -0.000 0.000 0.257 217 T C 0.632 175.349 174.700 0.030 0.000 1.105 217 T CA 0.007 62.134 62.100 0.045 0.000 1.104 217 T CB -0.576 68.320 68.868 0.047 0.000 0.925 217 T HN 0.418 nan 8.240 nan 0.000 0.498 218 K N 2.274 122.691 120.400 0.027 0.000 2.405 218 K HA -0.024 4.296 4.320 -0.000 0.000 0.276 218 K C -0.013 176.598 176.600 0.017 0.000 1.099 218 K CA 0.271 56.570 56.287 0.021 0.000 1.120 218 K CB -0.303 32.210 32.500 0.022 0.000 0.877 218 K HN 0.186 nan 8.250 nan 0.000 0.472 219 N N 2.842 121.549 118.700 0.012 0.000 2.708 219 N HA -0.264 4.475 4.740 -0.000 0.000 0.251 219 N C 0.851 176.365 175.510 0.006 0.000 1.123 219 N CA 1.409 54.464 53.050 0.008 0.000 0.739 219 N CB -1.126 37.367 38.487 0.010 0.000 1.113 219 N HN 0.841 nan 8.380 nan 0.000 0.561 220 M N -2.268 117.338 119.600 0.010 0.000 2.202 220 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 220 M C 0.494 176.791 176.300 -0.005 0.000 1.063 220 M CA 1.592 56.897 55.300 0.009 0.000 1.097 220 M CB -0.049 32.567 32.600 0.026 0.000 1.382 220 M HN -0.017 nan 8.290 nan 0.000 0.413 221 M N 2.814 122.410 119.600 -0.007 0.000 2.974 221 M HA 0.319 4.799 4.480 -0.000 0.000 0.301 221 M C 0.435 176.729 176.300 -0.011 0.000 1.409 221 M CA -0.055 55.236 55.300 -0.014 0.000 1.515 221 M CB -0.786 31.803 32.600 -0.017 0.000 1.163 221 M HN 0.328 nan 8.290 nan 0.000 0.520 222 G N 0.768 109.561 108.800 -0.011 0.000 2.736 222 G HA2 0.616 4.576 3.960 -0.000 0.000 0.229 222 G HA3 0.616 4.576 3.960 -0.000 0.000 0.229 222 G C 0.799 175.691 174.900 -0.013 0.000 1.380 222 G CA 0.107 45.201 45.100 -0.009 0.000 1.040 222 G HN 0.548 nan 8.290 nan 0.000 0.568 223 A N -0.220 122.591 122.820 -0.015 0.000 1.851 223 A HA -0.054 4.265 4.320 -0.000 0.000 0.216 223 A C 2.329 179.893 177.584 -0.034 0.000 1.195 223 A CA 2.438 54.461 52.037 -0.023 0.000 0.622 223 A CB -0.671 18.315 19.000 -0.023 0.000 0.831 223 A HN 0.489 nan 8.150 nan 0.000 0.444 224 K N 0.155 120.537 120.400 -0.032 0.000 2.089 224 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 224 K C 1.824 178.401 176.600 -0.038 0.000 1.048 224 K CA 2.078 58.343 56.287 -0.037 0.000 0.926 224 K CB -0.335 32.148 32.500 -0.030 0.000 0.714 224 K HN 0.621 nan 8.250 nan 0.000 0.448 225 E N 0.196 120.378 120.200 -0.031 0.000 2.046 225 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 225 E C 1.966 178.559 176.600 -0.010 0.000 0.982 225 E CA 0.845 57.228 56.400 -0.029 0.000 0.800 225 E CB -0.167 29.514 29.700 -0.033 0.000 0.756 225 E HN 0.204 nan 8.360 nan 0.000 0.449 226 I N 0.552 121.121 120.570 -0.002 0.000 2.335 226 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 226 I C 2.308 178.465 176.117 0.066 0.000 1.129 226 I CA 1.040 62.362 61.300 0.037 0.000 1.402 226 I CB -0.155 37.860 38.000 0.026 0.000 1.069 226 I HN 0.108 nan 8.210 nan 0.000 0.424 227 S N 0.729 116.406 115.700 -0.037 0.000 2.406 227 S HA -0.045 4.425 4.470 -0.000 0.000 0.228 227 S C 1.980 176.551 174.600 -0.049 0.000 1.020 227 S CA 0.850 58.952 58.200 -0.165 0.000 0.965 227 S CB -0.118 62.987 63.200 -0.158 0.000 0.798 227 S HN 0.365 nan 8.310 nan 0.000 0.488 228 L N 0.998 122.222 121.223 0.001 0.000 2.217 228 L HA 0.087 4.426 4.340 -0.000 0.000 0.211 228 L C 1.258 178.164 176.870 0.060 0.000 1.107 228 L CA 0.257 55.106 54.840 0.014 0.000 0.783 228 L CB -0.501 41.546 42.059 -0.020 0.000 0.919 228 L HN 0.337 nan 8.230 nan 0.000 0.442 229 M N 0.736 120.394 119.600 0.098 0.000 2.247 229 M HA -0.073 4.406 4.480 -0.000 0.000 0.318 229 M C 0.549 176.876 176.300 0.046 0.000 1.054 229 M CA 0.547 55.882 55.300 0.058 0.000 1.117 229 M CB 0.061 32.675 32.600 0.023 0.000 1.515 229 M HN -0.037 nan 8.290 nan 0.000 0.442 230 K N 2.906 123.266 120.400 -0.066 0.000 2.350 230 K HA 0.218 4.538 4.320 -0.000 0.000 0.279 230 K C -2.469 173.977 176.600 -0.257 0.000 1.027 230 K CA -1.286 54.939 56.287 -0.104 0.000 0.969 230 K CB 0.462 32.898 32.500 -0.107 0.000 0.954 230 K HN 0.148 nan 8.250 nan 0.000 0.474 231 P HA 0.024 nan 4.420 nan 0.000 0.265 231 P C -0.011 177.155 177.300 -0.223 0.000 1.193 231 P CA 0.779 63.710 63.100 -0.281 0.000 0.765 231 P CB 0.754 32.428 31.700 -0.043 0.000 0.823 232 G N 1.542 110.200 108.800 -0.238 0.000 2.143 232 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 232 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 232 G C 0.388 175.183 174.900 -0.174 0.000 0.991 232 G CA 0.329 45.337 45.100 -0.154 0.000 0.689 232 G HN 0.799 nan 8.290 nan 0.000 0.522 233 S N -0.962 114.607 115.700 -0.218 0.000 2.713 233 S HA 0.856 5.326 4.470 -0.000 0.000 0.277 233 S C 0.075 174.601 174.600 -0.124 0.000 1.168 233 S CA -0.810 57.289 58.200 -0.168 0.000 0.994 233 S CB 1.920 65.022 63.200 -0.164 0.000 1.054 233 S HN 0.719 nan 8.310 nan 0.000 0.555 234 L N 1.002 122.174 121.223 -0.086 0.000 2.365 234 L HA 0.574 4.913 4.340 -0.000 0.000 0.273 234 L C -1.317 175.528 176.870 -0.042 0.000 1.000 234 L CA -1.025 53.780 54.840 -0.058 0.000 0.819 234 L CB 1.882 43.920 42.059 -0.035 0.000 1.284 234 L HN 0.573 nan 8.230 nan 0.000 0.418 235 L N 4.727 125.924 121.223 -0.043 0.000 2.313 235 L HA 0.612 4.952 4.340 -0.000 0.000 0.283 235 L C -0.684 176.164 176.870 -0.037 0.000 1.013 235 L CA -0.064 54.754 54.840 -0.036 0.000 0.816 235 L CB 1.265 43.298 42.059 -0.044 0.000 1.236 235 L HN 0.340 nan 8.230 nan 0.000 0.419 236 I N 4.287 124.839 120.570 -0.030 0.000 2.498 236 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 236 I C -0.803 175.260 176.117 -0.091 0.000 1.032 236 I CA -0.711 60.563 61.300 -0.043 0.000 1.073 236 I CB 2.095 40.093 38.000 -0.004 0.000 1.251 236 I HN 0.575 nan 8.210 nan 0.000 0.426 237 N N 4.681 123.296 118.700 -0.141 0.000 2.577 237 N HA 0.572 5.311 4.740 -0.000 0.000 0.275 237 N C -0.674 174.687 175.510 -0.248 0.000 1.091 237 N CA -0.277 52.650 53.050 -0.206 0.000 0.843 237 N CB 1.736 40.108 38.487 -0.191 0.000 1.295 237 N HN 0.699 nan 8.380 nan 0.000 0.530 238 A N 2.046 124.696 122.820 -0.283 0.000 2.643 238 A HA 0.302 4.622 4.320 -0.000 0.000 0.295 238 A C 0.991 178.423 177.584 -0.254 0.000 1.065 238 A CA 0.129 52.021 52.037 -0.243 0.000 0.986 238 A CB -0.385 18.528 19.000 -0.144 0.000 1.212 238 A HN 0.604 nan 8.150 nan 0.000 0.516 239 S N -0.151 115.386 115.700 -0.272 0.000 2.566 239 S HA 0.457 4.926 4.470 -0.000 0.000 0.166 239 S C 0.621 175.134 174.600 -0.146 0.000 0.811 239 S CA -0.109 57.981 58.200 -0.183 0.000 0.940 239 S CB 0.179 63.278 63.200 -0.167 0.000 0.768 239 S HN 0.273 nan 8.310 nan 0.000 0.534 240 R N 0.422 120.850 120.500 -0.121 0.000 2.750 240 R HA 0.526 4.865 4.340 -0.000 0.000 0.281 240 R C 1.176 177.420 176.300 -0.094 0.000 0.972 240 R CA -0.083 55.967 56.100 -0.082 0.000 0.912 240 R CB 1.184 31.467 30.300 -0.027 0.000 1.187 240 R HN 0.613 nan 8.270 nan 0.000 0.464 241 G N 0.224 108.987 108.800 -0.062 0.000 2.479 241 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 241 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 241 G C 0.930 175.826 174.900 -0.005 0.000 1.115 241 G CA 1.498 46.580 45.100 -0.031 0.000 0.757 241 G HN 0.638 nan 8.290 nan 0.000 0.560 242 T N -2.302 112.251 114.554 -0.001 0.000 3.069 242 T HA 0.240 4.590 4.350 -0.000 0.000 0.252 242 T C 1.934 176.634 174.700 -0.000 0.000 1.053 242 T CA 0.447 62.553 62.100 0.011 0.000 0.964 242 T CB 0.656 69.537 68.868 0.021 0.000 1.005 242 T HN -0.012 nan 8.240 nan 0.000 0.532 243 V N 1.105 121.008 119.914 -0.019 0.000 2.719 243 V HA 0.135 4.255 4.120 -0.000 0.000 0.252 243 V C 0.949 177.031 176.094 -0.020 0.000 1.065 243 V CA 0.490 62.780 62.300 -0.017 0.000 1.086 243 V CB -0.207 31.599 31.823 -0.028 0.000 0.700 243 V HN 0.429 nan 8.190 nan 0.000 0.467 244 V N 0.537 120.434 119.914 -0.029 0.000 2.540 244 V HA 0.374 4.493 4.120 -0.000 0.000 0.302 244 V C -0.616 175.474 176.094 -0.007 0.000 1.035 244 V CA -0.860 61.425 62.300 -0.025 0.000 0.873 244 V CB 1.906 33.701 31.823 -0.046 0.000 0.992 244 V HN 0.244 nan 8.190 nan 0.000 0.428 245 D N 4.000 124.400 120.400 0.000 0.000 2.359 245 D HA 0.161 4.800 4.640 -0.000 0.000 0.250 245 D C 1.109 177.420 176.300 0.018 0.000 1.264 245 D CA -0.151 53.856 54.000 0.012 0.000 0.911 245 D CB 0.614 41.419 40.800 0.008 0.000 1.056 245 D HN 0.312 nan 8.370 nan 0.000 0.499 246 I N 5.345 125.937 120.570 0.036 0.000 2.226 246 I HA -0.144 4.025 4.170 -0.000 0.000 0.245 246 I C -0.697 175.456 176.117 0.060 0.000 1.100 246 I CA 0.804 62.138 61.300 0.057 0.000 1.374 246 I CB -1.979 36.081 38.000 0.101 0.000 1.057 246 I HN 0.392 nan 8.210 nan 0.000 0.413 247 P HA -0.111 nan 4.420 nan 0.000 0.216 247 P C 1.684 179.009 177.300 0.042 0.000 1.150 247 P CA 1.845 64.977 63.100 0.053 0.000 0.837 247 P CB 0.042 31.766 31.700 0.039 0.000 0.786 248 A N -0.499 122.336 122.820 0.026 0.000 1.873 248 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 248 A C 2.116 179.703 177.584 0.005 0.000 1.186 248 A CA 1.351 53.396 52.037 0.012 0.000 0.616 248 A CB -1.694 17.308 19.000 0.004 0.000 0.823 248 A HN 0.145 nan 8.150 nan 0.000 0.442 249 L N -0.011 121.213 121.223 0.001 0.000 2.081 249 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 249 L C 2.611 179.446 176.870 -0.058 0.000 1.080 249 L CA 2.272 57.097 54.840 -0.026 0.000 0.754 249 L CB -0.778 41.268 42.059 -0.023 0.000 0.893 249 L HN 0.368 nan 8.230 nan 0.000 0.433 250 A N -1.117 121.704 122.820 0.001 0.000 1.898 250 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 250 A C 1.997 179.600 177.584 0.033 0.000 1.181 250 A CA 1.693 53.750 52.037 0.033 0.000 0.620 250 A CB -0.742 18.383 19.000 0.208 0.000 0.819 250 A HN 0.510 nan 8.150 nan 0.000 0.442 251 D N 0.031 120.460 120.400 0.048 0.000 2.219 251 D HA -0.003 4.636 4.640 -0.000 0.000 0.205 251 D C 2.114 178.428 176.300 0.022 0.000 0.970 251 D CA 1.293 55.325 54.000 0.052 0.000 0.851 251 D CB -0.242 40.581 40.800 0.038 0.000 0.943 251 D HN 0.438 nan 8.370 nan 0.000 0.488 252 A N 0.365 123.181 122.820 -0.007 0.000 1.897 252 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 252 A C 2.315 179.886 177.584 -0.022 0.000 1.181 252 A CA 0.560 52.606 52.037 0.014 0.000 0.620 252 A CB -0.595 18.430 19.000 0.041 0.000 0.821 252 A HN 0.178 nan 8.150 nan 0.000 0.443 253 L N -0.774 120.353 121.223 -0.160 0.000 2.141 253 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 253 L C 2.971 179.732 176.870 -0.180 0.000 1.094 253 L CA 0.896 55.554 54.840 -0.304 0.000 0.763 253 L CB -0.343 41.251 42.059 -0.774 0.000 0.908 253 L HN 0.438 nan 8.230 nan 0.000 0.437 254 A N -0.464 122.336 122.820 -0.034 0.000 1.968 254 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 254 A C 2.334 179.993 177.584 0.124 0.000 1.169 254 A CA 1.518 53.682 52.037 0.212 0.000 0.638 254 A CB -0.387 18.793 19.000 0.300 0.000 0.812 254 A HN 0.468 nan 8.150 nan 0.000 0.446 255 S N -2.081 113.664 115.700 0.076 0.000 2.605 255 S HA 0.229 4.699 4.470 -0.000 0.000 0.217 255 S C 0.616 175.259 174.600 0.071 0.000 0.958 255 S CA 0.601 58.842 58.200 0.068 0.000 0.919 255 S CB -0.033 63.200 63.200 0.054 0.000 0.780 255 S HN 0.351 nan 8.310 nan 0.000 0.507 256 K N 0.084 120.519 120.400 0.058 0.000 3.209 256 K HA -0.237 4.083 4.320 -0.000 0.000 0.289 256 K C 0.478 177.104 176.600 0.045 0.000 1.191 256 K CA 1.077 57.388 56.287 0.040 0.000 0.851 256 K CB -2.643 29.884 32.500 0.045 0.000 1.242 256 K HN 0.752 nan 8.250 nan 0.000 0.480 257 H N -0.428 118.628 119.070 -0.023 0.000 2.389 257 H HA 0.103 4.659 4.556 -0.000 0.000 0.299 257 H C 0.238 175.543 175.328 -0.038 0.000 1.081 257 H CA 1.244 57.276 56.048 -0.028 0.000 1.345 257 H CB 0.280 30.024 29.762 -0.030 0.000 1.393 257 H HN 0.093 nan 8.280 nan 0.000 0.520 258 L N -0.353 120.799 121.223 -0.119 0.000 2.344 258 L HA 0.471 4.811 4.340 -0.000 0.000 0.272 258 L C 1.011 177.815 176.870 -0.111 0.000 1.035 258 L CA 0.168 54.908 54.840 -0.166 0.000 0.807 258 L CB 1.371 43.366 42.059 -0.108 0.000 1.237 258 L HN 0.275 nan 8.230 nan 0.000 0.442 259 A N 1.100 123.862 122.820 -0.097 0.000 2.343 259 A HA 0.703 5.022 4.320 -0.000 0.000 0.223 259 A C 0.602 178.161 177.584 -0.041 0.000 1.214 259 A CA 0.653 52.660 52.037 -0.050 0.000 0.900 259 A CB -0.044 18.943 19.000 -0.023 0.000 0.942 259 A HN 0.816 nan 8.150 nan 0.000 0.507 260 G N -2.390 106.371 108.800 -0.064 0.000 2.368 260 G HA2 0.657 4.617 3.960 -0.000 0.000 0.293 260 G HA3 0.657 4.617 3.960 -0.000 0.000 0.293 260 G C -1.324 173.540 174.900 -0.060 0.000 1.467 260 G CA 0.198 45.267 45.100 -0.052 0.000 0.804 260 G HN 1.314 nan 8.290 nan 0.000 0.535 261 A N -1.237 121.556 122.820 -0.044 0.000 2.604 261 A HA 1.023 5.343 4.320 -0.000 0.000 0.295 261 A C -0.637 176.939 177.584 -0.013 0.000 1.067 261 A CA 0.182 52.195 52.037 -0.039 0.000 0.683 261 A CB 1.402 20.367 19.000 -0.058 0.000 1.281 261 A HN 2.507 nan 8.150 nan 0.000 0.407 262 A N 1.723 124.531 122.820 -0.021 0.000 2.335 262 A HA 0.712 5.032 4.320 -0.000 0.000 0.304 262 A C -0.936 176.612 177.584 -0.060 0.000 1.118 262 A CA -0.329 51.699 52.037 -0.015 0.000 0.757 262 A CB 0.446 19.439 19.000 -0.011 0.000 1.188 262 A HN 0.706 nan 8.150 nan 0.000 0.460 263 I N 2.499 123.024 120.570 -0.075 0.000 2.436 263 I HA 0.298 4.467 4.170 -0.000 0.000 0.289 263 I C 0.070 176.017 176.117 -0.283 0.000 1.010 263 I CA -0.158 61.002 61.300 -0.233 0.000 1.098 263 I CB 1.826 39.640 38.000 -0.309 0.000 1.266 263 I HN 0.847 nan 8.210 nan 0.000 0.434 264 D N 4.282 124.482 120.400 -0.333 0.000 2.423 264 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 264 D C -0.046 176.055 176.300 -0.331 0.000 1.068 264 D CA 0.557 54.422 54.000 -0.224 0.000 0.860 264 D CB 0.905 41.612 40.800 -0.155 0.000 0.992 264 D HN 0.305 nan 8.370 nan 0.000 0.504 265 V N -1.507 118.055 119.914 -0.587 0.000 2.789 265 V HA 0.729 4.849 4.120 -0.000 0.000 0.311 265 V C -0.936 174.795 176.094 -0.605 0.000 1.073 265 V CA -0.993 61.036 62.300 -0.451 0.000 0.921 265 V CB 1.442 33.027 31.823 -0.396 0.000 1.009 265 V HN -0.129 nan 8.190 nan 0.000 0.426 266 F N 1.594 121.574 119.950 0.050 0.000 2.620 266 F HA 0.726 5.253 4.527 -0.000 0.000 0.320 266 F C -1.835 174.004 175.800 0.066 0.000 1.069 266 F CA -2.275 55.776 58.000 0.084 0.000 0.953 266 F CB 1.648 40.751 39.000 0.172 0.000 1.322 266 F HN 0.291 nan 8.300 nan 0.000 0.479 267 P HA -0.091 nan 4.420 nan 0.000 0.213 267 P C 0.197 177.579 177.300 0.137 0.000 1.170 267 P CA 1.623 64.803 63.100 0.134 0.000 0.902 267 P CB 0.124 31.886 31.700 0.103 0.000 0.789 268 T N 0.347 114.986 114.554 0.141 0.000 2.855 268 T HA 0.351 4.701 4.350 -0.000 0.000 0.281 268 T C -0.540 174.251 174.700 0.152 0.000 1.007 268 T CA -0.561 61.610 62.100 0.119 0.000 1.009 268 T CB 0.907 69.813 68.868 0.063 0.000 0.983 268 T HN -0.076 nan 8.240 nan 0.000 0.455 269 E N 2.442 122.737 120.200 0.158 0.000 2.336 269 E HA 0.478 4.828 4.350 -0.000 0.000 0.267 269 E C -2.442 174.233 176.600 0.124 0.000 0.906 269 E CA -2.122 54.388 56.400 0.183 0.000 0.781 269 E CB 1.177 31.028 29.700 0.252 0.000 1.261 269 E HN 0.374 nan 8.360 nan 0.000 0.436 270 P HA 0.058 nan 4.420 nan 0.000 0.268 270 P C -0.394 176.949 177.300 0.072 0.000 1.205 270 P CA 0.068 63.220 63.100 0.088 0.000 0.771 270 P CB 0.842 32.601 31.700 0.098 0.000 0.858 271 A N 1.977 124.828 122.820 0.053 0.000 2.030 271 A HA 0.165 4.485 4.320 -0.000 0.000 0.215 271 A C 1.033 178.639 177.584 0.037 0.000 1.164 271 A CA 1.560 53.626 52.037 0.048 0.000 0.697 271 A CB -0.453 18.573 19.000 0.045 0.000 0.827 271 A HN 0.644 nan 8.150 nan 0.000 0.457 272 T N -4.827 109.746 114.554 0.031 0.000 2.804 272 T HA 0.326 4.676 4.350 -0.000 0.000 0.290 272 T C 0.046 174.758 174.700 0.021 0.000 1.099 272 T CA -0.277 61.836 62.100 0.021 0.000 1.011 272 T CB 0.746 69.623 68.868 0.014 0.000 1.291 272 T HN 0.152 nan 8.240 nan 0.000 0.523 273 N N -0.093 118.614 118.700 0.013 0.000 2.461 273 N HA 0.077 4.816 4.740 -0.000 0.000 0.188 273 N C 1.027 176.543 175.510 0.011 0.000 1.134 273 N CA 0.185 53.241 53.050 0.010 0.000 0.878 273 N CB 0.085 38.575 38.487 0.004 0.000 0.972 273 N HN 0.574 nan 8.380 nan 0.000 0.456 274 S N -0.669 115.039 115.700 0.012 0.000 2.511 274 S HA 0.084 4.553 4.470 -0.000 0.000 0.214 274 S C 0.075 174.684 174.600 0.016 0.000 0.997 274 S CA -0.212 57.994 58.200 0.011 0.000 0.908 274 S CB 0.445 63.649 63.200 0.006 0.000 0.803 274 S HN 0.173 nan 8.310 nan 0.000 0.504 275 D N 4.081 124.494 120.400 0.022 0.000 2.351 275 D HA 0.303 4.943 4.640 -0.000 0.000 0.251 275 D C -2.522 173.802 176.300 0.040 0.000 1.137 275 D CA -1.028 52.988 54.000 0.026 0.000 0.879 275 D CB 0.621 41.438 40.800 0.029 0.000 1.181 275 D HN 0.138 nan 8.370 nan 0.000 0.448 276 P HA 0.140 nan 4.420 nan 0.000 0.272 276 P C -0.663 176.690 177.300 0.090 0.000 1.230 276 P CA -0.362 62.768 63.100 0.050 0.000 0.788 276 P CB 0.437 32.146 31.700 0.016 0.000 0.949 277 F N 0.999 120.906 119.950 -0.071 0.000 2.458 277 F HA 0.607 5.134 4.527 -0.000 0.000 0.336 277 F C -0.283 175.445 175.800 -0.119 0.000 1.114 277 F CA -0.128 57.801 58.000 -0.118 0.000 0.987 277 F CB 1.681 40.587 39.000 -0.156 0.000 1.130 277 F HN 0.215 nan 8.300 nan 0.000 0.458 278 T N 3.770 117.802 114.554 -0.869 0.000 2.896 278 T HA 0.692 5.042 4.350 -0.000 0.000 0.297 278 T C -1.574 172.505 174.700 -1.036 0.000 1.108 278 T CA -0.428 61.180 62.100 -0.821 0.000 1.004 278 T CB 1.473 70.124 68.868 -0.362 0.000 1.159 278 T HN 0.868 nan 8.240 nan 0.000 0.499 279 S N 2.091 117.407 115.700 -0.640 0.000 2.558 279 S HA 0.524 4.994 4.470 -0.000 0.000 0.277 279 S C -2.409 172.130 174.600 -0.101 0.000 1.143 279 S CA -0.937 57.056 58.200 -0.345 0.000 0.865 279 S CB 1.743 64.765 63.200 -0.296 0.000 1.102 279 S HN 0.601 nan 8.310 nan 0.000 0.454 280 P HA 0.112 nan 4.420 nan 0.000 0.239 280 P C 0.980 178.395 177.300 0.192 0.000 1.184 280 P CA 0.469 63.609 63.100 0.067 0.000 0.760 280 P CB -0.049 31.704 31.700 0.087 0.000 0.884 281 L N -1.286 120.083 121.223 0.243 0.000 2.509 281 L HA 0.148 4.488 4.340 -0.000 0.000 0.222 281 L C 2.411 179.485 176.870 0.340 0.000 1.123 281 L CA 0.509 55.591 54.840 0.404 0.000 0.856 281 L CB -0.713 41.571 42.059 0.376 0.000 0.985 281 L HN -0.079 nan 8.230 nan 0.000 0.456 282 A N 0.867 123.800 122.820 0.190 0.000 1.978 282 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 282 A C 2.192 179.797 177.584 0.034 0.000 1.170 282 A CA 1.767 53.886 52.037 0.135 0.000 0.636 282 A CB -0.445 18.605 19.000 0.084 0.000 0.810 282 A HN 0.571 nan 8.150 nan 0.000 0.448 283 E N -1.303 118.836 120.200 -0.101 0.000 2.472 283 E HA -0.083 4.267 4.350 -0.000 0.000 0.200 283 E C -0.662 175.684 176.600 -0.425 0.000 1.046 283 E CA 0.040 56.252 56.400 -0.314 0.000 0.871 283 E CB -0.191 29.233 29.700 -0.459 0.000 0.806 283 E HN 0.561 nan 8.360 nan 0.000 0.533 284 F N 1.473 121.452 119.950 0.050 0.000 2.361 284 F HA 0.204 4.731 4.527 -0.000 0.000 0.364 284 F C 0.812 176.638 175.800 0.044 0.000 1.117 284 F CA -1.006 57.021 58.000 0.046 0.000 1.071 284 F CB 1.436 40.467 39.000 0.052 0.000 1.188 284 F HN -0.147 nan 8.300 nan 0.000 0.464 285 D N 1.216 121.723 120.400 0.179 0.000 2.264 285 D HA -0.138 4.502 4.640 -0.000 0.000 0.208 285 D C 1.397 177.771 176.300 0.122 0.000 0.966 285 D CA 0.935 55.006 54.000 0.118 0.000 0.864 285 D CB -0.015 40.834 40.800 0.081 0.000 0.933 285 D HN 0.504 nan 8.370 nan 0.000 0.499 286 N N 0.690 119.485 118.700 0.158 0.000 2.322 286 N HA -0.022 4.718 4.740 -0.000 0.000 0.216 286 N C -0.506 175.052 175.510 0.081 0.000 1.144 286 N CA -0.008 53.103 53.050 0.101 0.000 0.830 286 N CB 0.573 39.108 38.487 0.080 0.000 1.034 286 N HN -0.125 nan 8.380 nan 0.000 0.484 287 V N 1.557 121.542 119.914 0.119 0.000 2.483 287 V HA 0.320 4.440 4.120 -0.000 0.000 0.297 287 V C 0.062 176.216 176.094 0.099 0.000 1.027 287 V CA -0.841 61.518 62.300 0.098 0.000 0.855 287 V CB 2.125 34.036 31.823 0.146 0.000 0.995 287 V HN 0.159 nan 8.190 nan 0.000 0.424 288 L N 6.179 127.441 121.223 0.065 0.000 2.360 288 L HA 0.422 4.761 4.340 -0.000 0.000 0.276 288 L C -0.561 176.361 176.870 0.087 0.000 1.121 288 L CA 0.071 54.946 54.840 0.059 0.000 0.845 288 L CB 0.550 42.629 42.059 0.033 0.000 1.143 288 L HN 0.436 nan 8.230 nan 0.000 0.452 289 L N 3.698 124.982 121.223 0.103 0.000 2.341 289 L HA 0.618 4.958 4.340 -0.000 0.000 0.278 289 L C -0.041 176.863 176.870 0.057 0.000 1.005 289 L CA -0.473 54.464 54.840 0.161 0.000 0.818 289 L CB 2.016 44.200 42.059 0.208 0.000 1.259 289 L HN 0.593 nan 8.230 nan 0.000 0.418 290 T N -0.625 113.975 114.554 0.077 0.000 2.900 290 T HA 0.565 4.914 4.350 -0.000 0.000 0.295 290 T C -2.865 171.867 174.700 0.054 0.000 1.044 290 T CA -2.161 59.951 62.100 0.020 0.000 0.995 290 T CB 2.207 71.087 68.868 0.019 0.000 1.072 290 T HN 0.267 nan 8.240 nan 0.000 0.473 291 P HA 0.270 nan 4.420 nan 0.000 0.226 291 P C -0.053 177.348 177.300 0.167 0.000 1.832 291 P CA -0.041 63.082 63.100 0.038 0.000 1.092 291 P CB -1.060 30.611 31.700 -0.047 0.000 1.873 292 H N 2.153 121.271 119.070 0.081 0.000 2.626 292 H HA -0.173 4.382 4.556 -0.000 0.000 0.317 292 H C 0.097 175.443 175.328 0.029 0.000 1.140 292 H CA -0.099 55.983 56.048 0.055 0.000 1.134 292 H CB -1.061 28.745 29.762 0.074 0.000 1.486 292 H HN 0.324 nan 8.280 nan 0.000 0.417 293 I N -3.120 117.557 120.570 0.177 0.000 3.941 293 I HA 0.352 4.521 4.170 -0.000 0.000 0.335 293 I C 2.183 178.359 176.117 0.098 0.000 1.402 293 I CA 0.339 61.710 61.300 0.119 0.000 1.112 293 I CB 0.355 38.394 38.000 0.065 0.000 1.043 293 I HN 0.273 nan 8.210 nan 0.000 0.395 294 G N 1.889 110.749 108.800 0.100 0.000 2.556 294 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 294 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 294 G C 1.433 176.379 174.900 0.077 0.000 1.156 294 G CA 1.090 46.230 45.100 0.067 0.000 0.766 294 G HN 0.589 nan 8.290 nan 0.000 0.583 295 G N -0.775 108.086 108.800 0.101 0.000 3.324 295 G HA2 0.329 4.289 3.960 -0.000 0.000 0.251 295 G HA3 0.329 4.289 3.960 -0.000 0.000 0.251 295 G C 0.589 175.524 174.900 0.058 0.000 1.072 295 G CA 0.378 45.522 45.100 0.073 0.000 0.787 295 G HN 0.283 nan 8.290 nan 0.000 0.537 296 S N 1.869 117.607 115.700 0.063 0.000 4.120 296 S HA 0.342 4.812 4.470 -0.000 0.000 0.215 296 S C 0.629 175.255 174.600 0.044 0.000 1.347 296 S CA 0.002 58.231 58.200 0.049 0.000 0.889 296 S CB -0.363 62.866 63.200 0.048 0.000 1.585 296 S HN 0.608 nan 8.310 nan 0.000 0.447 297 T N -1.191 113.388 114.554 0.041 0.000 2.831 297 T HA 0.395 4.745 4.350 -0.000 0.000 0.287 297 T C 0.759 175.489 174.700 0.049 0.000 1.070 297 T CA -0.880 61.244 62.100 0.040 0.000 1.010 297 T CB 1.074 69.961 68.868 0.032 0.000 1.264 297 T HN 0.027 nan 8.240 nan 0.000 0.532 298 Q N 0.114 119.948 119.800 0.057 0.000 2.172 298 Q HA -0.013 4.327 4.340 -0.000 0.000 0.200 298 Q C 1.895 177.911 176.000 0.026 0.000 0.964 298 Q CA 1.424 57.280 55.803 0.087 0.000 0.855 298 Q CB -0.331 28.474 28.738 0.112 0.000 0.918 298 Q HN 0.748 nan 8.270 nan 0.000 0.444 299 E N 1.244 121.447 120.200 0.005 0.000 2.051 299 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 299 E C 1.895 178.464 176.600 -0.052 0.000 0.991 299 E CA 1.407 57.787 56.400 -0.034 0.000 0.799 299 E CB -0.404 29.287 29.700 -0.016 0.000 0.748 299 E HN 0.363 nan 8.360 nan 0.000 0.449 300 A N 0.911 123.721 122.820 -0.017 0.000 1.877 300 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 300 A C 2.068 179.642 177.584 -0.016 0.000 1.186 300 A CA 1.448 53.477 52.037 -0.012 0.000 0.620 300 A CB -0.480 18.528 19.000 0.013 0.000 0.822 300 A HN 0.128 nan 8.150 nan 0.000 0.443 301 Q N -0.643 119.163 119.800 0.010 0.000 2.226 301 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 301 Q C 1.923 177.885 176.000 -0.064 0.000 0.975 301 Q CA 1.634 57.465 55.803 0.047 0.000 0.866 301 Q CB -0.277 28.542 28.738 0.135 0.000 0.915 301 Q HN 0.906 nan 8.270 nan 0.000 0.440 302 E N 0.774 120.805 120.200 -0.281 0.000 2.107 302 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 302 E C 1.393 177.843 176.600 -0.250 0.000 0.982 302 E CA 0.723 56.746 56.400 -0.627 0.000 0.809 302 E CB 0.090 29.400 29.700 -0.650 0.000 0.756 302 E HN 0.451 nan 8.360 nan 0.000 0.459 303 N N 0.123 118.737 118.700 -0.143 0.000 2.188 303 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 303 N C 1.930 177.399 175.510 -0.069 0.000 1.018 303 N CA 0.897 53.894 53.050 -0.088 0.000 0.858 303 N CB 0.027 38.477 38.487 -0.062 0.000 0.989 303 N HN 0.173 nan 8.380 nan 0.000 0.426 304 I N 0.678 121.222 120.570 -0.042 0.000 2.315 304 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 304 I C 2.514 178.616 176.117 -0.026 0.000 1.117 304 I CA 0.735 62.008 61.300 -0.045 0.000 1.404 304 I CB -0.475 37.538 38.000 0.023 0.000 1.071 304 I HN 0.203 nan 8.210 nan 0.000 0.419 305 G N 1.107 109.977 108.800 0.117 0.000 2.421 305 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 305 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 305 G C 1.692 176.663 174.900 0.119 0.000 1.171 305 G CA 0.548 45.829 45.100 0.302 0.000 0.775 305 G HN 0.250 nan 8.290 nan 0.000 0.543 306 L N -0.152 121.070 121.223 -0.001 0.000 2.093 306 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 306 L C 2.818 179.624 176.870 -0.107 0.000 1.085 306 L CA 1.056 55.869 54.840 -0.045 0.000 0.755 306 L CB -0.290 41.736 42.059 -0.055 0.000 0.904 306 L HN 0.276 nan 8.230 nan 0.000 0.435 307 E N -0.073 120.042 120.200 -0.142 0.000 2.017 307 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 307 E C 2.154 178.591 176.600 -0.270 0.000 0.997 307 E CA 1.795 58.089 56.400 -0.177 0.000 0.804 307 E CB 0.050 29.649 29.700 -0.169 0.000 0.757 307 E HN 0.255 nan 8.360 nan 0.000 0.448 308 V N 0.899 120.552 119.914 -0.435 0.000 2.809 308 V HA -0.156 3.964 4.120 -0.000 0.000 0.256 308 V C 2.189 177.970 176.094 -0.522 0.000 1.080 308 V CA 1.365 63.275 62.300 -0.649 0.000 1.102 308 V CB -0.401 30.638 31.823 -1.307 0.000 0.705 308 V HN 0.305 nan 8.190 nan 0.000 0.475 309 A N 0.880 123.517 122.820 -0.305 0.000 1.872 309 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 309 A C 2.453 179.884 177.584 -0.255 0.000 1.187 309 A CA 1.623 53.562 52.037 -0.162 0.000 0.614 309 A CB -1.229 17.742 19.000 -0.048 0.000 0.826 309 A HN 0.474 nan 8.150 nan 0.000 0.442 310 G N 0.204 108.874 108.800 -0.217 0.000 2.529 310 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 310 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 310 G C 1.678 176.421 174.900 -0.262 0.000 1.177 310 G CA 1.362 46.344 45.100 -0.197 0.000 0.773 310 G HN 0.593 nan 8.290 nan 0.000 0.573 311 K N -0.530 119.645 120.400 -0.376 0.000 2.026 311 K HA -0.018 4.302 4.320 -0.000 0.000 0.208 311 K C 2.467 178.653 176.600 -0.690 0.000 1.048 311 K CA 0.914 56.835 56.287 -0.610 0.000 0.929 311 K CB -0.341 31.635 32.500 -0.874 0.000 0.713 311 K HN 0.146 nan 8.250 nan 0.000 0.439 312 L N 1.369 122.249 121.223 -0.572 0.000 1.976 312 L HA -0.163 4.176 4.340 -0.000 0.000 0.209 312 L C 2.246 178.871 176.870 -0.408 0.000 1.071 312 L CA 1.540 56.133 54.840 -0.413 0.000 0.746 312 L CB -0.685 41.193 42.059 -0.302 0.000 0.890 312 L HN 0.176 nan 8.230 nan 0.000 0.432 313 I N -0.748 119.579 120.570 -0.405 0.000 2.185 313 I HA -0.406 3.764 4.170 -0.000 0.000 0.246 313 I C 2.478 178.541 176.117 -0.091 0.000 1.088 313 I CA 1.465 62.588 61.300 -0.295 0.000 1.347 313 I CB -0.364 37.525 38.000 -0.186 0.000 1.041 313 I HN 0.303 nan 8.210 nan 0.000 0.415 314 K N -0.467 119.879 120.400 -0.090 0.000 2.097 314 K HA -0.213 4.106 4.320 -0.000 0.000 0.205 314 K C 2.214 178.875 176.600 0.102 0.000 1.050 314 K CA 1.379 57.668 56.287 0.004 0.000 0.938 314 K CB -0.293 32.185 32.500 -0.035 0.000 0.718 314 K HN 0.257 nan 8.250 nan 0.000 0.442 315 Y N 1.476 121.734 120.300 -0.070 0.000 2.200 315 Y HA -0.201 4.349 4.550 -0.001 0.000 0.290 315 Y C 2.633 178.631 175.900 0.163 0.000 1.137 315 Y CA 1.304 59.440 58.100 0.061 0.000 1.163 315 Y CB -0.572 37.937 38.460 0.082 0.000 0.988 315 Y HN -0.073 nan 8.280 nan 0.000 0.518 316 S N -0.299 115.503 115.700 0.169 0.000 2.368 316 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 316 S C 1.645 176.361 174.600 0.193 0.000 1.030 316 S CA 1.869 60.197 58.200 0.214 0.000 0.999 316 S CB -0.389 62.910 63.200 0.165 0.000 0.844 316 S HN 0.590 nan 8.310 nan 0.000 0.459 317 D N 0.764 121.287 120.400 0.206 0.000 2.137 317 D HA 0.009 4.649 4.640 -0.000 0.000 0.202 317 D C 1.704 178.167 176.300 0.273 0.000 0.970 317 D CA 1.160 55.300 54.000 0.234 0.000 0.837 317 D CB -0.242 40.671 40.800 0.188 0.000 0.981 317 D HN 0.758 nan 8.370 nan 0.000 0.475 318 N N -1.848 116.982 118.700 0.217 0.000 2.168 318 N HA 0.086 4.826 4.740 -0.000 0.000 0.216 318 N C 1.086 176.701 175.510 0.175 0.000 1.259 318 N CA 0.723 53.935 53.050 0.270 0.000 0.902 318 N CB 1.816 40.452 38.487 0.248 0.000 1.079 318 N HN 0.130 nan 8.380 nan 0.000 0.507 319 G N 1.099 109.981 108.800 0.137 0.000 2.141 319 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.231 319 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.231 319 G C -0.264 174.886 174.900 0.416 0.000 0.984 319 G CA 0.236 45.431 45.100 0.159 0.000 0.660 319 G HN 0.489 nan 8.290 nan 0.000 0.525 320 S N 0.696 116.607 115.700 0.351 0.000 2.510 320 S HA 0.491 4.961 4.470 -0.000 0.000 0.279 320 S C 1.524 176.393 174.600 0.447 0.000 1.284 320 S CA 1.098 59.498 58.200 0.335 0.000 1.059 320 S CB 0.595 63.914 63.200 0.199 0.000 0.901 320 S HN 1.157 nan 8.310 nan 0.000 0.491 321 T N 3.643 118.420 114.554 0.372 0.000 3.214 321 T HA 0.231 4.581 4.350 -0.000 0.000 0.264 321 T C 0.319 175.139 174.700 0.201 0.000 1.012 321 T CA -0.554 61.683 62.100 0.228 0.000 0.901 321 T CB -0.257 68.581 68.868 -0.050 0.000 1.070 321 T HN 0.465 nan 8.240 nan 0.000 0.561 322 L N 3.222 124.572 121.223 0.211 0.000 2.601 322 L HA 0.318 4.658 4.340 -0.000 0.000 0.277 322 L C 1.006 177.999 176.870 0.206 0.000 1.219 322 L CA 1.646 56.581 54.840 0.159 0.000 0.915 322 L CB -0.194 41.942 42.059 0.128 0.000 1.160 322 L HN 0.797 nan 8.230 nan 0.000 0.494 323 S N 1.839 117.613 115.700 0.122 0.000 2.541 323 S HA -0.160 4.310 4.470 -0.000 0.000 0.262 323 S C 0.366 174.956 174.600 -0.017 0.000 1.321 323 S CA 0.272 58.526 58.200 0.090 0.000 1.243 323 S CB -2.473 60.805 63.200 0.130 0.000 1.531 323 S HN 1.990 nan 8.310 nan 0.000 0.656 324 A N 0.784 123.494 122.820 -0.183 0.000 2.462 324 A HA 0.697 5.017 4.320 -0.000 0.000 0.243 324 A C 1.269 178.668 177.584 -0.308 0.000 1.076 324 A CA 0.363 52.028 52.037 -0.620 0.000 0.773 324 A CB 0.757 19.236 19.000 -0.868 0.000 1.010 324 A HN 1.119 nan 8.150 nan 0.000 0.493 325 V N 1.948 121.672 119.914 -0.316 0.000 3.471 325 V HA -0.004 4.115 4.120 -0.000 0.000 0.258 325 V C 1.115 177.139 176.094 -0.116 0.000 1.192 325 V CA 1.479 63.676 62.300 -0.171 0.000 1.116 325 V CB -0.570 31.157 31.823 -0.159 0.000 0.792 325 V HN 1.024 nan 8.190 nan 0.000 0.459 326 N N -0.907 117.725 118.700 -0.115 0.000 2.451 326 N HA 0.192 4.931 4.740 -0.000 0.000 0.271 326 N C -0.889 174.642 175.510 0.035 0.000 1.410 326 N CA -0.212 52.810 53.050 -0.047 0.000 0.884 326 N CB 0.763 39.218 38.487 -0.053 0.000 1.332 326 N HN 0.303 nan 8.380 nan 0.000 0.498 327 F N 0.335 120.166 119.950 -0.197 0.000 2.672 327 F HA 0.470 4.997 4.527 -0.001 0.000 0.311 327 F C -2.713 172.995 175.800 -0.153 0.000 1.113 327 F CA -1.294 56.581 58.000 -0.209 0.000 0.996 327 F CB 1.947 40.748 39.000 -0.332 0.000 1.286 327 F HN -0.190 nan 8.300 nan 0.000 0.441 328 P HA 0.162 nan 4.420 nan 0.000 0.271 328 P C -1.405 175.993 177.300 0.163 0.000 1.216 328 P CA 0.028 63.121 63.100 -0.011 0.000 0.771 328 P CB 0.591 32.246 31.700 -0.074 0.000 0.864 329 E N 1.623 121.884 120.200 0.102 0.000 2.089 329 E HA 0.314 4.664 4.350 -0.000 0.000 0.284 329 E C -0.830 175.763 176.600 -0.012 0.000 1.023 329 E CA -0.435 56.020 56.400 0.092 0.000 0.819 329 E CB 0.588 30.330 29.700 0.070 0.000 1.076 329 E HN 0.135 nan 8.360 nan 0.000 0.396 330 V N 2.917 122.835 119.914 0.006 0.000 2.680 330 V HA 0.547 4.667 4.120 -0.000 0.000 0.309 330 V C -0.382 175.607 176.094 -0.174 0.000 1.052 330 V CA -0.511 61.529 62.300 -0.433 0.000 0.908 330 V CB 1.995 33.619 31.823 -0.331 0.000 1.001 330 V HN 0.741 nan 8.190 nan 0.000 0.431 331 S N 4.539 120.092 115.700 -0.245 0.000 2.550 331 S HA 0.874 5.344 4.470 -0.000 0.000 0.270 331 S C -1.645 173.081 174.600 0.211 0.000 1.145 331 S CA -0.703 57.528 58.200 0.052 0.000 0.852 331 S CB 2.043 65.308 63.200 0.108 0.000 1.119 331 S HN 0.562 nan 8.310 nan 0.000 0.465 332 L N 1.732 123.056 121.223 0.168 0.000 2.455 332 L HA 0.706 5.046 4.340 -0.000 0.000 0.264 332 L C -2.714 174.185 176.870 0.049 0.000 0.968 332 L CA -1.404 53.528 54.840 0.153 0.000 0.827 332 L CB 2.060 44.212 42.059 0.156 0.000 1.317 332 L HN 0.651 nan 8.230 nan 0.000 0.407 333 P HA 0.292 nan 4.420 nan 0.000 0.271 333 P C -0.858 176.326 177.300 -0.193 0.000 1.216 333 P CA -0.311 62.684 63.100 -0.176 0.000 0.776 333 P CB 0.455 31.926 31.700 -0.382 0.000 0.881 334 L N 3.212 124.402 121.223 -0.054 0.000 2.490 334 L HA 0.092 4.432 4.340 -0.000 0.000 0.274 334 L C 0.897 177.868 176.870 0.168 0.000 1.201 334 L CA 0.934 55.818 54.840 0.074 0.000 0.869 334 L CB -0.284 41.797 42.059 0.036 0.000 1.123 334 L HN 0.562 nan 8.230 nan 0.000 0.484 335 H N 2.005 121.130 119.070 0.091 0.000 3.383 335 H HA 0.126 4.682 4.556 -0.001 0.000 0.204 335 H C -0.990 174.377 175.328 0.065 0.000 1.262 335 H CA -0.597 55.489 56.048 0.063 0.000 1.350 335 H CB 1.226 31.022 29.762 0.057 0.000 2.400 335 H HN 0.413 nan 8.280 nan 0.000 0.547 336 V N 1.023 121.026 119.914 0.149 0.000 3.802 336 V HA -0.154 3.965 4.120 -0.000 0.000 0.508 336 V C 0.212 176.362 176.094 0.094 0.000 0.682 336 V CA 1.726 64.078 62.300 0.086 0.000 2.028 336 V CB -0.777 31.059 31.823 0.021 0.000 2.432 336 V HN 1.103 nan 8.190 nan 0.000 0.510 337 G N 5.598 114.468 108.800 0.115 0.000 2.278 337 G HA2 0.351 4.311 3.960 -0.000 0.000 0.265 337 G HA3 0.351 4.311 3.960 -0.000 0.000 0.265 337 G C -0.952 174.033 174.900 0.141 0.000 1.329 337 G CA -0.136 45.018 45.100 0.091 0.000 1.017 337 G HN 1.263 nan 8.290 nan 0.000 0.472 338 R N -0.204 120.336 120.500 0.067 0.000 2.664 338 R HA 0.772 5.112 4.340 -0.000 0.000 0.286 338 R C 0.155 176.380 176.300 -0.126 0.000 0.967 338 R CA -0.707 55.407 56.100 0.023 0.000 0.933 338 R CB 1.710 32.019 30.300 0.015 0.000 1.146 338 R HN 0.653 nan 8.270 nan 0.000 0.468 339 R N 3.065 123.322 120.500 -0.406 0.000 2.480 339 R HA 0.466 4.806 4.340 -0.000 0.000 0.306 339 R C -1.268 174.849 176.300 -0.305 0.000 0.958 339 R CA -0.508 55.322 56.100 -0.449 0.000 0.861 339 R CB 0.699 30.492 30.300 -0.846 0.000 1.171 339 R HN 0.396 nan 8.270 nan 0.000 0.445 340 L N 3.891 125.035 121.223 -0.132 0.000 2.260 340 L HA 0.714 5.053 4.340 -0.000 0.000 0.265 340 L C -0.318 176.549 176.870 -0.005 0.000 1.015 340 L CA -1.031 53.789 54.840 -0.034 0.000 0.826 340 L CB 1.656 43.762 42.059 0.078 0.000 1.373 340 L HN 0.788 nan 8.230 nan 0.000 0.450 341 M N -0.824 118.815 119.600 0.065 0.000 2.622 341 M HA 0.713 5.193 4.480 -0.000 0.000 0.276 341 M C -1.291 175.147 176.300 0.230 0.000 1.265 341 M CA -0.500 54.857 55.300 0.095 0.000 0.850 341 M CB 2.211 34.902 32.600 0.152 0.000 1.720 341 M HN 0.488 nan 8.290 nan 0.000 0.465 342 H N 0.067 119.227 119.070 0.151 0.000 3.163 342 H HA 0.687 5.243 4.556 -0.000 0.000 0.322 342 H C -2.381 173.121 175.328 0.289 0.000 1.047 342 H CA -0.417 55.760 56.048 0.214 0.000 1.418 342 H CB 1.209 31.091 29.762 0.200 0.000 2.016 342 H HN 0.847 nan 8.280 nan 0.000 0.454 343 I N 5.833 126.414 120.570 0.019 0.000 2.406 343 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 343 I C -0.721 175.328 176.117 -0.113 0.000 0.999 343 I CA -0.518 60.806 61.300 0.039 0.000 1.124 343 I CB 1.183 39.267 38.000 0.141 0.000 1.289 343 I HN 0.726 nan 8.210 nan 0.000 0.441 344 H N 2.693 121.790 119.070 0.045 0.000 3.008 344 H HA 0.578 5.134 4.556 -0.000 0.000 0.354 344 H C -1.406 173.942 175.328 0.034 0.000 1.252 344 H CA -1.194 54.881 56.048 0.044 0.000 1.117 344 H CB 0.736 30.628 29.762 0.216 0.000 1.857 344 H HN 0.392 nan 8.280 nan 0.000 0.547 345 E N 0.485 120.806 120.200 0.202 0.000 2.373 345 E HA 0.120 4.470 4.350 -0.000 0.000 0.263 345 E C -0.114 176.629 176.600 0.239 0.000 1.073 345 E CA -0.803 55.678 56.400 0.135 0.000 0.894 345 E CB 0.547 30.291 29.700 0.074 0.000 1.008 345 E HN 0.459 nan 8.360 nan 0.000 0.420 346 N N 2.866 121.665 118.700 0.165 0.000 2.938 346 N HA -0.033 4.706 4.740 -0.000 0.000 0.286 346 N C -0.503 175.052 175.510 0.076 0.000 1.316 346 N CA 0.360 53.500 53.050 0.150 0.000 1.063 346 N CB -0.171 38.375 38.487 0.098 0.000 1.388 346 N HN 0.165 nan 8.380 nan 0.000 0.545 347 R N 0.813 121.350 120.500 0.062 0.000 2.643 347 R HA 0.143 4.482 4.340 -0.000 0.000 0.270 347 R C -2.161 174.137 176.300 -0.003 0.000 1.061 347 R CA -1.137 54.976 56.100 0.022 0.000 1.107 347 R CB -0.212 30.099 30.300 0.019 0.000 0.999 347 R HN 0.057 nan 8.270 nan 0.000 0.460 348 P HA 0.048 nan 4.420 nan 0.000 0.267 348 P C 0.433 177.717 177.300 -0.027 0.000 1.209 348 P CA 0.570 63.663 63.100 -0.011 0.000 0.763 348 P CB 0.711 32.407 31.700 -0.006 0.000 0.816 349 G N 1.536 110.314 108.800 -0.038 0.000 2.176 349 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.232 349 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.232 349 G C 0.882 175.732 174.900 -0.082 0.000 0.986 349 G CA 0.083 45.154 45.100 -0.049 0.000 0.643 349 G HN 0.387 nan 8.290 nan 0.000 0.522 350 V N 0.629 120.472 119.914 -0.117 0.000 2.307 350 V HA -0.058 4.061 4.120 -0.000 0.000 0.245 350 V C 2.847 178.805 176.094 -0.227 0.000 1.045 350 V CA 2.296 64.471 62.300 -0.209 0.000 1.024 350 V CB -0.432 31.169 31.823 -0.371 0.000 0.651 350 V HN 0.443 nan 8.190 nan 0.000 0.449 351 L N -0.643 120.478 121.223 -0.169 0.000 2.093 351 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 351 L C 2.615 179.436 176.870 -0.081 0.000 1.085 351 L CA 1.819 56.591 54.840 -0.113 0.000 0.755 351 L CB -0.526 41.504 42.059 -0.048 0.000 0.904 351 L HN 0.326 nan 8.230 nan 0.000 0.435 352 T N -0.947 113.564 114.554 -0.072 0.000 2.904 352 T HA -0.039 4.310 4.350 -0.000 0.000 0.267 352 T C 1.841 176.499 174.700 -0.070 0.000 1.059 352 T CA 1.062 63.131 62.100 -0.052 0.000 1.137 352 T CB 0.082 68.927 68.868 -0.039 0.000 0.879 352 T HN 0.426 nan 8.240 nan 0.000 0.467 353 A N 1.240 124.001 122.820 -0.099 0.000 1.898 353 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 353 A C 2.106 179.590 177.584 -0.167 0.000 1.181 353 A CA 0.947 52.912 52.037 -0.120 0.000 0.620 353 A CB -0.747 18.182 19.000 -0.119 0.000 0.819 353 A HN 0.384 nan 8.150 nan 0.000 0.442 354 L N 1.347 122.455 121.223 -0.191 0.000 1.978 354 L HA -0.269 4.071 4.340 -0.000 0.000 0.218 354 L C 2.201 178.998 176.870 -0.122 0.000 1.075 354 L CA 2.710 57.427 54.840 -0.205 0.000 0.767 354 L CB -1.419 40.553 42.059 -0.145 0.000 0.890 354 L HN 0.788 nan 8.230 nan 0.000 0.434 355 N N -0.674 118.024 118.700 -0.004 0.000 2.354 355 N HA -0.162 4.578 4.740 -0.000 0.000 0.179 355 N C 1.556 177.085 175.510 0.032 0.000 1.021 355 N CA 1.017 54.128 53.050 0.102 0.000 0.887 355 N CB -0.528 38.032 38.487 0.122 0.000 0.974 355 N HN 0.464 nan 8.380 nan 0.000 0.437 356 K N 1.787 122.164 120.400 -0.039 0.000 2.026 356 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 356 K C 1.783 178.331 176.600 -0.087 0.000 1.048 356 K CA 1.265 57.526 56.287 -0.044 0.000 0.929 356 K CB -0.570 31.901 32.500 -0.048 0.000 0.713 356 K HN 0.252 nan 8.250 nan 0.000 0.439 357 I N 0.631 121.084 120.570 -0.195 0.000 2.236 357 I HA -0.295 3.875 4.170 -0.000 0.000 0.249 357 I C 2.149 178.084 176.117 -0.304 0.000 1.102 357 I CA 1.776 62.894 61.300 -0.303 0.000 1.365 357 I CB -0.299 37.408 38.000 -0.488 0.000 1.051 357 I HN 0.133 nan 8.210 nan 0.000 0.420 358 F N 0.039 119.976 119.950 -0.023 0.000 2.179 358 F HA -0.013 4.514 4.527 -0.000 0.000 0.292 358 F C 2.648 178.441 175.800 -0.013 0.000 1.089 358 F CA 0.696 58.686 58.000 -0.016 0.000 1.295 358 F CB -0.676 38.313 39.000 -0.018 0.000 1.041 358 F HN -0.059 nan 8.300 nan 0.000 0.487 359 A N 0.090 123.005 122.820 0.159 0.000 1.896 359 A HA -0.311 4.009 4.320 -0.000 0.000 0.220 359 A C 1.935 179.550 177.584 0.052 0.000 1.206 359 A CA 2.094 54.181 52.037 0.082 0.000 0.647 359 A CB -1.021 18.007 19.000 0.048 0.000 0.828 359 A HN 0.432 nan 8.150 nan 0.000 0.455 360 E N -0.563 119.652 120.200 0.025 0.000 2.405 360 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 360 E C 0.533 177.142 176.600 0.015 0.000 1.149 360 E CA 0.332 56.735 56.400 0.006 0.000 0.933 360 E CB -0.170 29.517 29.700 -0.022 0.000 1.028 360 E HN 0.753 nan 8.360 nan 0.000 0.487 361 Q N -1.444 118.383 119.800 0.046 0.000 1.936 361 Q HA 0.140 4.480 4.340 -0.000 0.000 0.196 361 Q C 0.225 176.264 176.000 0.065 0.000 0.792 361 Q CA 0.309 56.145 55.803 0.054 0.000 0.972 361 Q CB 1.200 29.982 28.738 0.073 0.000 1.235 361 Q HN 0.381 nan 8.270 nan 0.000 0.419 362 G N 1.086 109.922 108.800 0.060 0.000 2.395 362 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.300 362 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.300 362 G C -0.186 174.745 174.900 0.052 0.000 0.998 362 G CA 0.557 45.686 45.100 0.049 0.000 1.046 362 G HN 0.202 nan 8.290 nan 0.000 0.513 363 V N 0.329 120.291 119.914 0.080 0.000 2.384 363 V HA 0.274 4.394 4.120 -0.000 0.000 0.287 363 V C 0.610 176.696 176.094 -0.013 0.000 1.020 363 V CA -0.882 61.449 62.300 0.051 0.000 0.850 363 V CB 1.536 33.432 31.823 0.121 0.000 0.987 363 V HN 0.484 nan 8.190 nan 0.000 0.436 364 N N 4.193 122.866 118.700 -0.044 0.000 2.470 364 N HA 0.378 5.118 4.740 -0.000 0.000 0.268 364 N C -0.472 174.955 175.510 -0.139 0.000 1.136 364 N CA -0.388 52.623 53.050 -0.067 0.000 0.961 364 N CB 0.988 39.451 38.487 -0.041 0.000 1.067 364 N HN 0.586 nan 8.380 nan 0.000 0.468 365 I N 2.847 123.321 120.570 -0.160 0.000 2.294 365 I HA 0.060 4.229 4.170 -0.000 0.000 0.295 365 I C 1.255 177.309 176.117 -0.105 0.000 1.098 365 I CA -0.094 61.086 61.300 -0.201 0.000 1.277 365 I CB 0.911 38.791 38.000 -0.199 0.000 1.434 365 I HN 0.700 nan 8.210 nan 0.000 0.498 366 A N 5.528 128.297 122.820 -0.085 0.000 2.066 366 A HA 0.426 4.746 4.320 -0.000 0.000 0.218 366 A C 1.032 178.610 177.584 -0.010 0.000 1.157 366 A CA 1.116 53.131 52.037 -0.037 0.000 0.670 366 A CB -0.016 18.973 19.000 -0.019 0.000 0.804 366 A HN 0.744 nan 8.150 nan 0.000 0.453 367 A N -1.182 121.625 122.820 -0.021 0.000 2.565 367 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 367 A C -0.947 176.636 177.584 -0.000 0.000 1.062 367 A CA -0.183 51.860 52.037 0.009 0.000 0.723 367 A CB 0.729 19.765 19.000 0.060 0.000 1.282 367 A HN 0.431 nan 8.150 nan 0.000 0.400 368 Q N 1.219 121.029 119.800 0.016 0.000 2.263 368 Q HA 0.601 4.941 4.340 -0.000 0.000 0.262 368 Q C -2.470 173.592 176.000 0.102 0.000 0.984 368 Q CA -0.555 55.273 55.803 0.042 0.000 0.813 368 Q CB 1.763 30.514 28.738 0.021 0.000 1.299 368 Q HN 0.854 nan 8.270 nan 0.000 0.428 369 Y N 4.509 124.796 120.300 -0.022 0.000 2.326 369 Y HA 0.579 5.129 4.550 -0.000 0.000 0.331 369 Y C -2.065 173.818 175.900 -0.028 0.000 0.962 369 Y CA -1.423 56.670 58.100 -0.012 0.000 1.167 369 Y CB 1.478 39.937 38.460 -0.001 0.000 1.148 369 Y HN 0.734 nan 8.280 nan 0.000 0.463 370 L N 5.975 127.447 121.223 0.416 0.000 2.362 370 L HA 0.712 5.051 4.340 -0.000 0.000 0.275 370 L C -1.473 175.544 176.870 0.245 0.000 0.998 370 L CA -0.320 54.651 54.840 0.218 0.000 0.820 370 L CB 1.853 44.011 42.059 0.165 0.000 1.270 370 L HN 0.658 nan 8.230 nan 0.000 0.415 371 Q N 2.446 122.333 119.800 0.146 0.000 2.345 371 Q HA 0.785 5.124 4.340 -0.000 0.000 0.275 371 Q C -1.363 174.676 176.000 0.065 0.000 1.063 371 Q CA -0.292 55.589 55.803 0.130 0.000 0.819 371 Q CB 2.329 31.132 28.738 0.109 0.000 1.356 371 Q HN 0.832 nan 8.270 nan 0.000 0.418 372 T N -0.778 113.802 114.554 0.044 0.000 2.906 372 T HA 0.873 5.223 4.350 -0.000 0.000 0.295 372 T C -0.723 173.959 174.700 -0.030 0.000 1.075 372 T CA -0.775 61.321 62.100 -0.007 0.000 1.005 372 T CB 1.768 70.654 68.868 0.030 0.000 1.136 372 T HN 0.400 nan 8.240 nan 0.000 0.498 373 S N -0.338 115.318 115.700 -0.073 0.000 2.599 373 S HA 0.703 5.173 4.470 -0.000 0.000 0.287 373 S C 1.309 175.879 174.600 -0.051 0.000 1.105 373 S CA 0.047 58.211 58.200 -0.059 0.000 0.899 373 S CB 0.933 64.081 63.200 -0.085 0.000 1.100 373 S HN 1.690 nan 8.310 nan 0.000 0.482 374 A N 2.937 125.738 122.820 -0.031 0.000 2.818 374 A HA -0.297 4.023 4.320 -0.000 0.000 0.286 374 A C 1.413 178.986 177.584 -0.018 0.000 2.020 374 A CA 2.506 54.530 52.037 -0.022 0.000 1.039 374 A CB -1.463 17.523 19.000 -0.024 0.000 0.577 374 A HN 0.806 nan 8.150 nan 0.000 0.390 375 Q N -1.473 118.311 119.800 -0.027 0.000 2.319 375 Q HA 0.354 4.694 4.340 -0.000 0.000 0.202 375 Q C 0.486 176.472 176.000 -0.023 0.000 0.896 375 Q CA 0.350 56.146 55.803 -0.013 0.000 0.942 375 Q CB 0.481 29.214 28.738 -0.008 0.000 1.083 375 Q HN 0.706 nan 8.270 nan 0.000 0.510 376 M N -0.407 119.147 119.600 -0.076 0.000 2.528 376 M HA 0.591 5.071 4.480 -0.000 0.000 0.318 376 M C -0.531 175.668 176.300 -0.169 0.000 1.195 376 M CA -0.256 54.953 55.300 -0.151 0.000 1.000 376 M CB 2.067 34.513 32.600 -0.257 0.000 1.615 376 M HN 0.027 nan 8.290 nan 0.000 0.469 377 G N 2.110 110.735 108.800 -0.292 0.000 2.766 377 G HA2 0.509 4.469 3.960 -0.000 0.000 0.297 377 G HA3 0.509 4.469 3.960 -0.000 0.000 0.297 377 G C -2.740 171.870 174.900 -0.482 0.000 1.431 377 G CA -0.358 44.550 45.100 -0.319 0.000 1.042 377 G HN 0.663 nan 8.290 nan 0.000 0.542 378 Y N 2.010 122.131 120.300 -0.298 0.000 2.406 378 Y HA 0.752 5.302 4.550 -0.000 0.000 0.340 378 Y C -1.339 174.582 175.900 0.036 0.000 0.975 378 Y CA -1.615 56.411 58.100 -0.124 0.000 1.056 378 Y CB 2.209 40.660 38.460 -0.016 0.000 1.210 378 Y HN 0.784 nan 8.280 nan 0.000 0.448 379 V N 6.995 126.740 119.914 -0.282 0.000 2.808 379 V HA 0.800 4.920 4.120 -0.000 0.000 0.308 379 V C -2.039 173.859 176.094 -0.327 0.000 1.099 379 V CA -0.554 61.616 62.300 -0.217 0.000 0.920 379 V CB 2.096 33.973 31.823 0.090 0.000 1.014 379 V HN 0.605 nan 8.190 nan 0.000 0.425 380 V N 7.441 127.191 119.914 -0.274 0.000 2.604 380 V HA 0.641 4.761 4.120 -0.000 0.000 0.305 380 V C -0.423 175.649 176.094 -0.036 0.000 1.043 380 V CA -0.456 61.741 62.300 -0.172 0.000 0.888 380 V CB 1.793 33.510 31.823 -0.177 0.000 0.995 380 V HN 0.766 nan 8.190 nan 0.000 0.429 381 I N 3.073 123.627 120.570 -0.027 0.000 2.499 381 I HA 0.473 4.643 4.170 -0.000 0.000 0.288 381 I C -1.295 174.774 176.117 -0.081 0.000 1.048 381 I CA -0.426 60.851 61.300 -0.038 0.000 1.062 381 I CB 2.296 40.286 38.000 -0.015 0.000 1.238 381 I HN 0.469 nan 8.210 nan 0.000 0.426 382 D N 6.732 127.084 120.400 -0.081 0.000 2.308 382 D HA 0.656 5.296 4.640 -0.000 0.000 0.242 382 D C -0.798 175.430 176.300 -0.120 0.000 1.059 382 D CA -0.047 53.912 54.000 -0.067 0.000 0.830 382 D CB 1.779 42.588 40.800 0.015 0.000 1.161 382 D HN 0.455 nan 8.370 nan 0.000 0.494 383 I N -1.628 118.867 120.570 -0.125 0.000 2.730 383 I HA 0.574 4.744 4.170 -0.000 0.000 0.298 383 I C -0.667 175.403 176.117 -0.079 0.000 1.089 383 I CA -0.999 60.199 61.300 -0.170 0.000 1.041 383 I CB 2.398 40.234 38.000 -0.274 0.000 1.235 383 I HN -0.059 nan 8.210 nan 0.000 0.423 384 E N 4.326 124.484 120.200 -0.070 0.000 2.152 384 E HA 0.752 5.101 4.350 -0.000 0.000 0.285 384 E C -0.428 176.161 176.600 -0.019 0.000 1.043 384 E CA -0.162 56.221 56.400 -0.028 0.000 0.839 384 E CB 1.439 31.124 29.700 -0.025 0.000 1.069 384 E HN 0.850 nan 8.360 nan 0.000 0.399 385 A N 3.412 126.233 122.820 0.001 0.000 2.490 385 A HA 0.320 4.639 4.320 -0.000 0.000 0.292 385 A C -1.273 176.326 177.584 0.026 0.000 1.047 385 A CA -1.015 51.031 52.037 0.015 0.000 0.632 385 A CB 0.770 19.784 19.000 0.022 0.000 1.323 385 A HN 0.461 nan 8.150 nan 0.000 0.448 386 D N -0.294 120.124 120.400 0.030 0.000 2.369 386 D HA 0.317 4.957 4.640 -0.000 0.000 0.241 386 D C 1.095 177.417 176.300 0.037 0.000 1.271 386 D CA 0.168 54.186 54.000 0.031 0.000 0.942 386 D CB 0.771 41.588 40.800 0.029 0.000 1.129 386 D HN 0.653 nan 8.370 nan 0.000 0.476 387 E N 0.316 120.537 120.200 0.035 0.000 2.051 387 E HA -0.143 4.207 4.350 -0.000 0.000 0.189 387 E C 1.229 177.851 176.600 0.037 0.000 0.979 387 E CA 1.367 57.789 56.400 0.038 0.000 0.803 387 E CB -0.145 29.576 29.700 0.034 0.000 0.761 387 E HN 0.491 nan 8.360 nan 0.000 0.451 388 D N -0.062 120.357 120.400 0.032 0.000 2.123 388 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 388 D C 1.909 178.230 176.300 0.035 0.000 0.992 388 D CA 1.572 55.590 54.000 0.029 0.000 0.833 388 D CB -0.710 40.104 40.800 0.024 0.000 0.954 388 D HN 0.213 nan 8.370 nan 0.000 0.455 389 V N 1.097 121.036 119.914 0.041 0.000 2.343 389 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 389 V C 2.827 178.966 176.094 0.074 0.000 1.051 389 V CA 1.857 64.189 62.300 0.054 0.000 1.036 389 V CB -1.101 30.757 31.823 0.059 0.000 0.654 389 V HN 0.432 nan 8.190 nan 0.000 0.451 390 A N -0.553 122.309 122.820 0.069 0.000 1.933 390 A HA -0.236 4.083 4.320 -0.000 0.000 0.218 390 A C 2.211 179.836 177.584 0.069 0.000 1.175 390 A CA 1.903 53.988 52.037 0.081 0.000 0.628 390 A CB -0.420 18.613 19.000 0.056 0.000 0.814 390 A HN 0.600 nan 8.150 nan 0.000 0.444 391 E N -0.532 119.698 120.200 0.050 0.000 2.112 391 E HA -0.088 4.261 4.350 -0.000 0.000 0.190 391 E C 2.025 178.646 176.600 0.035 0.000 0.979 391 E CA 0.836 57.260 56.400 0.040 0.000 0.814 391 E CB -0.012 29.707 29.700 0.032 0.000 0.762 391 E HN 0.528 nan 8.360 nan 0.000 0.460 392 K N 0.137 120.557 120.400 0.034 0.000 2.057 392 K HA -0.092 4.227 4.320 -0.000 0.000 0.206 392 K C 2.125 178.730 176.600 0.009 0.000 1.050 392 K CA 0.996 57.295 56.287 0.020 0.000 0.935 392 K CB -0.060 32.451 32.500 0.018 0.000 0.715 392 K HN 0.041 nan 8.250 nan 0.000 0.439 393 A N 1.422 124.257 122.820 0.024 0.000 1.933 393 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 393 A C 2.055 179.629 177.584 -0.016 0.000 1.175 393 A CA 1.065 53.090 52.037 -0.020 0.000 0.628 393 A CB -0.509 18.538 19.000 0.077 0.000 0.814 393 A HN 0.247 nan 8.150 nan 0.000 0.444 394 L N -0.444 120.802 121.223 0.038 0.000 1.990 394 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 394 L C 2.410 179.298 176.870 0.031 0.000 1.072 394 L CA 2.489 57.359 54.840 0.049 0.000 0.755 394 L CB -0.789 41.302 42.059 0.054 0.000 0.889 394 L HN 0.333 nan 8.230 nan 0.000 0.432 395 Q N 0.055 119.866 119.800 0.018 0.000 2.077 395 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 395 Q C 2.355 178.356 176.000 0.001 0.000 0.989 395 Q CA 2.125 57.935 55.803 0.012 0.000 0.853 395 Q CB -1.168 27.574 28.738 0.007 0.000 0.907 395 Q HN 0.700 nan 8.270 nan 0.000 0.418 396 A N 0.392 123.198 122.820 -0.023 0.000 1.883 396 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 396 A C 2.230 179.787 177.584 -0.045 0.000 1.186 396 A CA 1.986 53.993 52.037 -0.050 0.000 0.624 396 A CB -0.626 18.315 19.000 -0.097 0.000 0.822 396 A HN 0.385 nan 8.150 nan 0.000 0.444 397 M N -0.606 118.970 119.600 -0.040 0.000 2.106 397 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 397 M C 1.986 178.376 176.300 0.149 0.000 1.068 397 M CA 1.820 57.136 55.300 0.028 0.000 1.100 397 M CB -0.343 32.309 32.600 0.086 0.000 1.351 397 M HN 0.321 nan 8.290 nan 0.000 0.404 398 K N -0.229 120.230 120.400 0.098 0.000 2.360 398 K HA -0.046 4.274 4.320 -0.000 0.000 0.201 398 K C 1.639 178.276 176.600 0.061 0.000 1.046 398 K CA 1.147 57.481 56.287 0.079 0.000 0.945 398 K CB -0.099 32.428 32.500 0.044 0.000 0.750 398 K HN 0.321 nan 8.250 nan 0.000 0.464 399 A N 0.967 123.815 122.820 0.046 0.000 2.267 399 A HA 0.155 4.475 4.320 -0.000 0.000 0.213 399 A C 0.822 178.424 177.584 0.029 0.000 1.192 399 A CA -0.276 51.777 52.037 0.027 0.000 0.851 399 A CB 0.011 19.015 19.000 0.008 0.000 0.881 399 A HN 0.087 nan 8.150 nan 0.000 0.494 400 I N 2.162 122.763 120.570 0.052 0.000 2.587 400 I HA 0.071 4.241 4.170 -0.000 0.000 0.284 400 I C -2.261 173.887 176.117 0.053 0.000 1.134 400 I CA -1.572 59.750 61.300 0.038 0.000 1.410 400 I CB 0.703 38.722 38.000 0.033 0.000 1.392 400 I HN 0.054 nan 8.210 nan 0.000 0.545 401 P HA 0.026 nan 4.420 nan 0.000 0.261 401 P C 0.796 178.123 177.300 0.044 0.000 1.183 401 P CA 0.652 63.769 63.100 0.028 0.000 0.761 401 P CB 0.605 32.311 31.700 0.011 0.000 0.785 402 G N 1.791 110.626 108.800 0.058 0.000 2.218 402 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.216 402 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.216 402 G C 0.253 175.228 174.900 0.125 0.000 0.994 402 G CA -0.248 44.904 45.100 0.085 0.000 0.637 402 G HN 0.555 nan 8.290 nan 0.000 0.505 403 T N 1.580 116.203 114.554 0.116 0.000 2.784 403 T HA 0.392 4.742 4.350 -0.000 0.000 0.291 403 T C 1.830 176.531 174.700 0.001 0.000 0.942 403 T CA 0.505 62.642 62.100 0.061 0.000 1.161 403 T CB 1.108 70.009 68.868 0.055 0.000 0.885 403 T HN 0.256 nan 8.240 nan 0.000 0.534 404 I N 2.318 122.873 120.570 -0.024 0.000 2.339 404 I HA 0.130 4.299 4.170 -0.000 0.000 0.245 404 I C 1.417 177.511 176.117 -0.039 0.000 1.096 404 I CA 0.851 62.138 61.300 -0.022 0.000 1.408 404 I CB 0.214 38.208 38.000 -0.010 0.000 1.092 404 I HN 0.511 nan 8.210 nan 0.000 0.423 405 R N 0.231 120.683 120.500 -0.080 0.000 2.687 405 R HA 0.689 5.029 4.340 -0.000 0.000 0.265 405 R C -2.221 174.026 176.300 -0.088 0.000 1.048 405 R CA -0.517 55.550 56.100 -0.055 0.000 0.884 405 R CB 1.461 31.759 30.300 -0.003 0.000 1.258 405 R HN -0.046 nan 8.270 nan 0.000 0.469 406 A N 2.660 125.464 122.820 -0.027 0.000 2.589 406 A HA 0.785 5.105 4.320 -0.000 0.000 0.296 406 A C -1.549 176.066 177.584 0.052 0.000 1.062 406 A CA -0.766 51.289 52.037 0.030 0.000 0.686 406 A CB 2.100 21.146 19.000 0.078 0.000 1.282 406 A HN 0.757 nan 8.150 nan 0.000 0.404 407 R N -0.097 120.442 120.500 0.064 0.000 2.626 407 R HA 0.542 4.882 4.340 -0.000 0.000 0.274 407 R C -1.756 174.560 176.300 0.026 0.000 1.031 407 R CA -0.687 55.435 56.100 0.037 0.000 0.898 407 R CB 2.064 32.372 30.300 0.013 0.000 1.222 407 R HN 0.724 nan 8.270 nan 0.000 0.455 408 L N 4.845 126.078 121.223 0.016 0.000 2.270 408 L HA 0.330 4.670 4.340 -0.000 0.000 0.286 408 L C -0.156 176.695 176.870 -0.031 0.000 1.059 408 L CA 0.238 55.073 54.840 -0.010 0.000 0.839 408 L CB 0.704 42.770 42.059 0.012 0.000 1.221 408 L HN 0.786 nan 8.230 nan 0.000 0.431 409 L N 5.820 126.980 121.223 -0.106 0.000 2.395 409 L HA 0.111 4.451 4.340 -0.000 0.000 0.218 409 L C -0.297 176.599 176.870 0.044 0.000 1.130 409 L CA 0.181 54.984 54.840 -0.062 0.000 0.826 409 L CB -0.562 41.440 42.059 -0.095 0.000 0.941 409 L HN 0.792 nan 8.230 nan 0.000 0.451 410 Y N 0.000 120.320 120.300 0.034 0.000 2.660 410 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 410 Y CA 0.000 58.116 58.100 0.027 0.000 1.940 410 Y CB 0.000 38.475 38.460 0.025 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758