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 3a13_1_I DATA FIRST_RESID 5 DATA SEQUENCE FDTIYDYYVD KGYEPSKKRD IIAVFRVTPA EGYTIEQAAG AVAAESSTGX DATA SEQUENCE WTTXXPWYEQ ERWADLSAKA YDFHDMGDGS WIVRIAYPFH AFEEANLPGL DATA SEQUENCE LASIAGNIFG MKRVKGLRLE DLYFPEKLIR EFDGPAFGIE GVRKMLEIKD DATA SEQUENCE RPIYGVVPKP KVGYSPEEFE KLAYDLLSNG ADYMXDDENL TSPWYNRFEE DATA SEQUENCE RAEIMAKIID KVENETGEKK TWFANITADL LEMEQRLEVL ADLGLKHAMV DATA SEQUENCE DVVITGWGAL RYIRDLAADY GLAIHGHRAM HAAFTRNPYH GISMFVLAKL DATA SEQUENCE YRLIGIDQLH VGTAGAGKLE GERDITIQNA RILRESHYKP DENDVFHLEQ DATA SEQUENCE KFYSIKAAFP TSSGGLHPGN IQPVIEALGT DIVLQLGGGT LGHPDGPAAG DATA SEQUENCE ARAVRQAIDA IMQGIPLDEY AKTHKELARA LEKWGHVTPV 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 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.592 175.800 -0.346 0.000 0.967 5 F CA 0.000 57.865 58.000 -0.225 0.000 1.383 5 F CB 0.000 38.962 39.000 -0.064 0.000 1.145 6 D N 0.403 120.739 120.400 -0.107 0.000 2.191 6 D HA -0.220 4.420 4.640 0.001 0.000 0.190 6 D C 1.890 178.169 176.300 -0.035 0.000 1.007 6 D CA 3.148 57.143 54.000 -0.008 0.000 0.865 6 D CB -1.798 39.027 40.800 0.043 0.000 0.929 6 D HN 0.645 nan 8.370 nan 0.000 0.447 7 T N -0.430 114.091 114.554 -0.055 0.000 2.699 7 T HA -0.082 4.268 4.350 0.001 0.000 0.268 7 T C 2.214 176.914 174.700 -0.000 0.000 1.036 7 T CA 1.205 63.292 62.100 -0.021 0.000 1.147 7 T CB -0.344 68.500 68.868 -0.039 0.000 0.862 7 T HN 0.551 nan 8.240 nan 0.000 0.446 8 I N -0.115 120.399 120.570 -0.094 0.000 2.142 8 I HA -0.202 3.969 4.170 0.001 0.000 0.240 8 I C 2.163 178.426 176.117 0.244 0.000 1.078 8 I CA 1.475 62.781 61.300 0.010 0.000 1.343 8 I CB -0.397 37.518 38.000 -0.143 0.000 1.046 8 I HN 0.256 nan 8.210 nan 0.000 0.405 9 Y N 0.691 121.141 120.300 0.250 0.000 2.242 9 Y HA -0.222 4.328 4.550 0.001 0.000 0.291 9 Y C 2.356 178.361 175.900 0.176 0.000 1.137 9 Y CA 0.448 58.688 58.100 0.233 0.000 1.181 9 Y CB -1.302 37.246 38.460 0.147 0.000 0.989 9 Y HN 0.221 nan 8.280 nan 0.000 0.527 10 D N -0.859 119.688 120.400 0.246 0.000 2.158 10 D HA -0.249 4.391 4.640 0.001 0.000 0.197 10 D C 2.018 178.393 176.300 0.125 0.000 0.995 10 D CA 1.522 55.610 54.000 0.148 0.000 0.846 10 D CB -0.665 40.195 40.800 0.100 0.000 0.941 10 D HN 0.460 nan 8.370 nan 0.000 0.456 11 Y N -0.077 120.231 120.300 0.012 0.000 2.263 11 Y HA -0.219 4.331 4.550 0.001 0.000 0.292 11 Y C 1.614 177.377 175.900 -0.227 0.000 1.130 11 Y CA 1.303 59.325 58.100 -0.130 0.000 1.179 11 Y CB -0.336 37.999 38.460 -0.208 0.000 0.998 11 Y HN -0.059 nan 8.280 nan 0.000 0.532 12 Y N -0.636 119.683 120.300 0.032 0.000 2.546 12 Y HA 0.183 4.733 4.550 0.001 0.000 0.287 12 Y C 0.176 176.038 175.900 -0.064 0.000 1.158 12 Y CA -0.105 57.944 58.100 -0.084 0.000 1.307 12 Y CB 0.075 38.583 38.460 0.080 0.000 1.036 12 Y HN -0.217 nan 8.280 nan 0.000 0.532 13 V N 1.004 120.979 119.914 0.103 0.000 2.398 13 V HA 0.298 4.418 4.120 0.001 0.000 0.286 13 V C -0.802 175.323 176.094 0.051 0.000 1.026 13 V CA -0.690 61.688 62.300 0.130 0.000 0.868 13 V CB 1.672 33.587 31.823 0.154 0.000 0.982 13 V HN 0.004 nan 8.190 nan 0.000 0.443 14 D N 3.659 124.121 120.400 0.103 0.000 2.411 14 D HA 0.241 4.882 4.640 0.001 0.000 0.239 14 D C 0.731 177.157 176.300 0.210 0.000 1.307 14 D CA -0.459 53.596 54.000 0.092 0.000 0.930 14 D CB 1.138 41.943 40.800 0.009 0.000 1.395 14 D HN 0.460 nan 8.370 nan 0.000 0.536 15 K N 0.778 121.286 120.400 0.181 0.000 2.504 15 K HA 0.070 4.390 4.320 0.001 0.000 0.195 15 K C 1.580 178.300 176.600 0.200 0.000 1.036 15 K CA 0.572 56.996 56.287 0.228 0.000 0.984 15 K CB 0.480 33.054 32.500 0.122 0.000 0.788 15 K HN 0.315 nan 8.250 nan 0.000 0.488 16 G N 0.540 109.435 108.800 0.159 0.000 2.880 16 G HA2 -0.157 3.804 3.960 0.001 0.000 0.209 16 G HA3 -0.157 3.804 3.960 0.001 0.000 0.209 16 G C -0.004 174.979 174.900 0.140 0.000 1.157 16 G CA -0.210 44.964 45.100 0.123 0.000 0.779 16 G HN 0.217 nan 8.290 nan 0.000 0.539 17 Y N 1.871 122.206 120.300 0.058 0.000 2.335 17 Y HA 0.391 4.942 4.550 0.001 0.000 0.331 17 Y C -0.107 175.744 175.900 -0.082 0.000 1.094 17 Y CA -0.920 57.169 58.100 -0.017 0.000 1.253 17 Y CB 0.801 39.236 38.460 -0.041 0.000 1.203 17 Y HN -0.079 nan 8.280 nan 0.000 0.508 18 E N 8.683 128.382 120.200 -0.834 0.000 2.113 18 E HA 0.251 4.601 4.350 0.001 0.000 0.273 18 E C -2.487 173.418 176.600 -1.159 0.000 0.924 18 E CA -2.025 53.924 56.400 -0.752 0.000 0.764 18 E CB 1.221 30.691 29.700 -0.384 0.000 1.104 18 E HN 0.519 nan 8.360 nan 0.000 0.406 19 P HA -0.040 nan 4.420 nan 0.000 0.269 19 P C -0.102 177.025 177.300 -0.289 0.000 1.209 19 P CA -0.117 62.662 63.100 -0.535 0.000 0.776 19 P CB 0.742 32.188 31.700 -0.422 0.000 0.876 20 S N 1.830 117.478 115.700 -0.087 0.000 2.499 20 S HA 0.094 4.564 4.470 0.001 0.000 0.275 20 S C 1.221 175.865 174.600 0.073 0.000 1.257 20 S CA -0.522 57.677 58.200 -0.001 0.000 1.050 20 S CB -0.023 63.222 63.200 0.075 0.000 0.937 20 S HN 0.261 nan 8.310 nan 0.000 0.490 21 K N 3.169 123.602 120.400 0.055 0.000 2.211 21 K HA -0.011 4.309 4.320 0.001 0.000 0.203 21 K C 1.289 178.051 176.600 0.271 0.000 1.050 21 K CA 0.857 57.220 56.287 0.128 0.000 0.945 21 K CB 0.016 32.564 32.500 0.080 0.000 0.732 21 K HN 0.486 nan 8.250 nan 0.000 0.451 22 K N 0.331 120.849 120.400 0.197 0.000 2.356 22 K HA 0.054 4.375 4.320 0.001 0.000 0.195 22 K C 1.582 178.335 176.600 0.255 0.000 1.037 22 K CA 0.647 57.048 56.287 0.190 0.000 1.014 22 K CB 0.384 32.960 32.500 0.127 0.000 0.815 22 K HN 0.138 nan 8.250 nan 0.000 0.507 23 R N 0.033 120.713 120.500 0.299 0.000 2.394 23 R HA 0.144 4.485 4.340 0.001 0.000 0.220 23 R C -0.362 176.189 176.300 0.418 0.000 0.887 23 R CA -0.075 56.275 56.100 0.416 0.000 1.034 23 R CB 0.799 31.242 30.300 0.239 0.000 1.179 23 R HN -0.014 nan 8.270 nan 0.000 0.561 24 D N 0.815 121.435 120.400 0.366 0.000 2.192 24 D HA 0.314 4.954 4.640 0.001 0.000 0.246 24 D C -0.358 176.226 176.300 0.474 0.000 1.042 24 D CA -0.368 53.857 54.000 0.376 0.000 0.847 24 D CB 1.952 42.929 40.800 0.294 0.000 1.186 24 D HN -0.072 nan 8.370 nan 0.000 0.461 25 I N 2.200 123.058 120.570 0.480 0.000 2.428 25 I HA 0.277 4.447 4.170 0.001 0.000 0.289 25 I C 0.144 176.593 176.117 0.553 0.000 1.019 25 I CA -0.390 61.205 61.300 0.491 0.000 1.351 25 I CB 0.911 39.136 38.000 0.375 0.000 1.412 25 I HN 0.107 nan 8.210 nan 0.000 0.513 26 I N 5.681 126.568 120.570 0.528 0.000 2.418 26 I HA 0.481 4.652 4.170 0.001 0.000 0.287 26 I C -0.078 176.212 176.117 0.288 0.000 1.008 26 I CA -0.496 61.075 61.300 0.452 0.000 1.104 26 I CB 1.794 40.027 38.000 0.388 0.000 1.264 26 I HN 0.558 nan 8.210 nan 0.000 0.438 27 A N 6.480 129.463 122.820 0.271 0.000 2.290 27 A HA 0.746 5.066 4.320 0.001 0.000 0.310 27 A C -0.512 176.959 177.584 -0.188 0.000 1.202 27 A CA -0.471 51.522 52.037 -0.074 0.000 0.837 27 A CB 0.929 19.833 19.000 -0.161 0.000 1.139 27 A HN 0.465 nan 8.150 nan 0.000 0.509 28 V N 3.157 122.881 119.914 -0.316 0.000 2.370 28 V HA 0.482 4.602 4.120 0.001 0.000 0.283 28 V C -0.960 174.954 176.094 -0.299 0.000 1.023 28 V CA -0.097 62.080 62.300 -0.204 0.000 0.857 28 V CB 0.405 32.174 31.823 -0.089 0.000 0.985 28 V HN 0.700 nan 8.190 nan 0.000 0.443 29 F N 3.208 123.173 119.950 0.024 0.000 2.532 29 F HA 0.597 5.125 4.527 0.001 0.000 0.321 29 F C 0.372 176.222 175.800 0.085 0.000 1.089 29 F CA -0.839 57.192 58.000 0.051 0.000 0.926 29 F CB 1.912 40.918 39.000 0.010 0.000 1.168 29 F HN 0.324 nan 8.300 nan 0.000 0.459 30 R N 2.883 123.595 120.500 0.353 0.000 2.204 30 R HA 0.616 4.956 4.340 0.001 0.000 0.341 30 R C -1.773 174.722 176.300 0.326 0.000 1.035 30 R CA -0.263 56.031 56.100 0.323 0.000 0.887 30 R CB 0.464 30.964 30.300 0.332 0.000 1.114 30 R HN 0.536 nan 8.270 nan 0.000 0.473 31 V N 4.183 124.269 119.914 0.286 0.000 2.394 31 V HA 0.288 4.408 4.120 0.001 0.000 0.282 31 V C -0.036 176.215 176.094 0.261 0.000 1.031 31 V CA -0.562 61.867 62.300 0.215 0.000 0.881 31 V CB 1.788 33.675 31.823 0.106 0.000 0.982 31 V HN 0.749 nan 8.190 nan 0.000 0.451 32 T N 7.574 122.259 114.554 0.219 0.000 2.821 32 T HA 0.370 4.721 4.350 0.001 0.000 0.307 32 T C -2.634 172.140 174.700 0.124 0.000 1.034 32 T CA -1.256 60.956 62.100 0.188 0.000 0.953 32 T CB 1.330 70.279 68.868 0.135 0.000 0.968 32 T HN 0.414 nan 8.240 nan 0.000 0.462 33 P HA 0.302 nan 4.420 nan 0.000 0.271 33 P C -0.256 177.110 177.300 0.109 0.000 1.216 33 P CA -0.387 62.764 63.100 0.085 0.000 0.776 33 P CB 0.412 32.166 31.700 0.090 0.000 0.881 34 A N 2.578 125.467 122.820 0.116 0.000 2.429 34 A HA 0.058 4.378 4.320 0.001 0.000 0.242 34 A C 0.444 178.154 177.584 0.211 0.000 1.088 34 A CA -0.248 51.880 52.037 0.152 0.000 0.784 34 A CB -0.433 18.659 19.000 0.152 0.000 1.038 34 A HN 0.590 nan 8.150 nan 0.000 0.501 35 E N -0.418 119.862 120.200 0.133 0.000 2.480 35 E HA 0.321 4.671 4.350 0.001 0.000 0.258 35 E C 1.194 177.797 176.600 0.005 0.000 0.984 35 E CA 1.376 57.816 56.400 0.068 0.000 0.930 35 E CB -0.094 29.627 29.700 0.034 0.000 0.936 35 E HN 1.430 nan 8.360 nan 0.000 0.466 36 G N 3.178 111.925 108.800 -0.087 0.000 2.194 36 G HA2 -0.268 3.692 3.960 0.001 0.000 0.236 36 G HA3 -0.268 3.692 3.960 0.001 0.000 0.236 36 G C -0.657 173.950 174.900 -0.488 0.000 0.987 36 G CA 0.125 45.039 45.100 -0.311 0.000 0.635 36 G HN 0.488 nan 8.290 nan 0.000 0.520 37 Y N 1.287 121.588 120.300 0.003 0.000 2.446 37 Y HA 0.625 5.175 4.550 0.001 0.000 0.345 37 Y C 1.001 176.882 175.900 -0.032 0.000 0.984 37 Y CA -0.203 57.889 58.100 -0.012 0.000 1.058 37 Y CB 1.736 40.179 38.460 -0.028 0.000 1.220 37 Y HN 0.286 nan 8.280 nan 0.000 0.455 38 T N -1.022 113.592 114.554 0.100 0.000 2.849 38 T HA 0.145 4.495 4.350 0.001 0.000 0.284 38 T C 1.046 175.694 174.700 -0.087 0.000 1.004 38 T CA -0.490 61.600 62.100 -0.016 0.000 1.021 38 T CB 0.839 69.674 68.868 -0.054 0.000 1.013 38 T HN 0.628 nan 8.240 nan 0.000 0.527 39 I N 1.000 121.414 120.570 -0.260 0.000 2.264 39 I HA -0.064 4.106 4.170 0.001 0.000 0.248 39 I C 2.174 178.192 176.117 -0.164 0.000 1.111 39 I CA 1.574 62.660 61.300 -0.356 0.000 1.382 39 I CB -0.861 36.536 38.000 -1.004 0.000 1.060 39 I HN 0.827 nan 8.210 nan 0.000 0.418 40 E N 0.203 120.281 120.200 -0.204 0.000 2.085 40 E HA -0.263 4.087 4.350 0.001 0.000 0.194 40 E C 2.227 178.788 176.600 -0.064 0.000 0.994 40 E CA 1.654 57.991 56.400 -0.105 0.000 0.801 40 E CB -0.301 29.293 29.700 -0.177 0.000 0.743 40 E HN 0.632 nan 8.360 nan 0.000 0.453 41 Q N -0.242 119.503 119.800 -0.092 0.000 2.079 41 Q HA -0.056 4.284 4.340 0.001 0.000 0.200 41 Q C 2.225 177.930 176.000 -0.491 0.000 0.974 41 Q CA 1.256 56.916 55.803 -0.240 0.000 0.840 41 Q CB -0.157 28.593 28.738 0.020 0.000 0.898 41 Q HN 0.309 nan 8.270 nan 0.000 0.430 42 A N 1.236 123.893 122.820 -0.272 0.000 1.855 42 A HA -0.113 4.207 4.320 0.001 0.000 0.215 42 A C 2.325 179.751 177.584 -0.263 0.000 1.191 42 A CA 1.591 53.462 52.037 -0.277 0.000 0.613 42 A CB -0.909 17.999 19.000 -0.154 0.000 0.829 42 A HN 0.387 nan 8.150 nan 0.000 0.442 43 A N -0.523 122.206 122.820 -0.151 0.000 1.940 43 A HA 0.094 4.415 4.320 0.001 0.000 0.219 43 A C 2.392 179.907 177.584 -0.115 0.000 1.176 43 A CA 2.011 53.982 52.037 -0.109 0.000 0.631 43 A CB -1.365 17.663 19.000 0.047 0.000 0.814 43 A HN 0.744 nan 8.150 nan 0.000 0.446 44 G N -0.676 108.057 108.800 -0.111 0.000 2.402 44 G HA2 0.042 4.002 3.960 0.001 0.000 0.216 44 G HA3 0.042 4.002 3.960 0.001 0.000 0.216 44 G C 1.721 176.550 174.900 -0.119 0.000 1.162 44 G CA 1.330 46.429 45.100 -0.002 0.000 0.777 44 G HN 0.784 nan 8.290 nan 0.000 0.539 45 A N 0.116 122.678 122.820 -0.431 0.000 1.930 45 A HA 0.118 4.439 4.320 0.001 0.000 0.217 45 A C 2.582 180.029 177.584 -0.228 0.000 1.175 45 A CA 1.678 53.547 52.037 -0.279 0.000 0.627 45 A CB -0.555 18.210 19.000 -0.391 0.000 0.815 45 A HN 0.236 nan 8.150 nan 0.000 0.443 46 V N -0.169 119.579 119.914 -0.278 0.000 2.343 46 V HA -0.240 3.880 4.120 0.001 0.000 0.247 46 V C 3.044 178.994 176.094 -0.240 0.000 1.051 46 V CA 1.918 64.029 62.300 -0.315 0.000 1.036 46 V CB -1.118 30.422 31.823 -0.471 0.000 0.654 46 V HN 0.611 nan 8.190 nan 0.000 0.451 47 A N -0.148 122.539 122.820 -0.222 0.000 1.898 47 A HA -0.077 4.243 4.320 0.001 0.000 0.216 47 A C 2.412 179.715 177.584 -0.468 0.000 1.181 47 A CA 2.002 53.903 52.037 -0.227 0.000 0.620 47 A CB -0.723 18.196 19.000 -0.135 0.000 0.819 47 A HN 0.553 nan 8.150 nan 0.000 0.442 48 A N -0.316 122.065 122.820 -0.731 0.000 1.873 48 A HA -0.129 4.191 4.320 0.001 0.000 0.215 48 A C 1.989 179.381 177.584 -0.321 0.000 1.186 48 A CA 2.078 53.555 52.037 -0.934 0.000 0.616 48 A CB -0.476 18.174 19.000 -0.583 0.000 0.823 48 A HN 0.507 nan 8.150 nan 0.000 0.442 49 E N 0.723 120.814 120.200 -0.181 0.000 2.150 49 E HA -0.102 4.248 4.350 0.001 0.000 0.193 49 E C 1.864 178.443 176.600 -0.034 0.000 0.985 49 E CA 1.469 57.826 56.400 -0.072 0.000 0.814 49 E CB -0.252 29.407 29.700 -0.068 0.000 0.752 49 E HN 0.631 nan 8.360 nan 0.000 0.466 50 S N -1.679 114.012 115.700 -0.015 0.000 2.605 50 S HA 0.243 4.713 4.470 0.001 0.000 0.217 50 S C 1.053 175.773 174.600 0.200 0.000 0.958 50 S CA 0.102 58.367 58.200 0.107 0.000 0.919 50 S CB 0.357 63.681 63.200 0.207 0.000 0.780 50 S HN 0.104 nan 8.310 nan 0.000 0.507 51 S N 1.222 116.964 115.700 0.070 0.000 4.341 51 S HA 0.351 4.821 4.470 0.001 0.000 0.220 51 S C 0.986 175.573 174.600 -0.022 0.000 1.133 51 S CA 0.397 58.623 58.200 0.043 0.000 1.679 51 S CB 0.256 63.448 63.200 -0.013 0.000 1.237 51 S HN 0.496 nan 8.310 nan 0.000 0.744 52 T N 0.320 114.858 114.554 -0.027 0.000 3.122 52 T HA 0.528 4.878 4.350 0.001 0.000 0.250 52 T C 1.134 176.010 174.700 0.294 0.000 1.067 52 T CA 0.681 62.782 62.100 0.002 0.000 0.966 52 T CB -0.676 67.893 68.868 -0.498 0.000 1.002 52 T HN 1.454 nan 8.240 nan 0.000 0.542 56 T N 1.261 115.506 114.554 -0.515 0.000 2.812 56 T HA 0.577 4.927 4.350 0.001 0.000 0.294 56 T C 0.640 175.143 174.700 -0.328 0.000 1.159 56 T CA 0.787 62.558 62.100 -0.547 0.000 1.008 56 T CB 1.199 69.402 68.868 -1.108 0.000 1.289 56 T HN 0.293 nan 8.240 nan 0.000 0.514 61 W N 1.314 122.397 121.300 -0.361 0.000 3.132 61 W HA 0.362 5.022 4.660 0.001 0.000 0.364 61 W C -0.738 175.736 176.519 -0.074 0.000 1.129 61 W CA -0.348 56.909 57.345 -0.146 0.000 1.815 61 W CB -0.774 28.684 29.460 -0.004 0.000 1.099 61 W HN 0.050 nan 8.180 nan 0.000 0.605 62 Y N -1.176 118.779 120.300 -0.575 0.000 2.634 62 Y HA 0.593 5.143 4.550 0.001 0.000 0.340 62 Y C -0.168 175.542 175.900 -0.316 0.000 1.058 62 Y CA -2.355 55.403 58.100 -0.570 0.000 1.081 62 Y CB 0.364 38.244 38.460 -0.967 0.000 1.295 62 Y HN -0.077 nan 8.280 nan 0.000 0.487 63 E N 1.953 122.122 120.200 -0.051 0.000 2.159 63 E HA -0.021 4.329 4.350 0.001 0.000 0.272 63 E C 0.536 177.178 176.600 0.070 0.000 1.138 63 E CA -0.099 56.279 56.400 -0.037 0.000 0.915 63 E CB 0.683 30.386 29.700 0.006 0.000 1.028 63 E HN 0.727 nan 8.360 nan 0.000 0.423 64 Q N 3.147 122.913 119.800 -0.057 0.000 2.096 64 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 64 Q C 1.480 177.589 176.000 0.183 0.000 0.982 64 Q CA 1.531 57.367 55.803 0.054 0.000 0.850 64 Q CB 0.156 28.828 28.738 -0.110 0.000 0.901 64 Q HN 0.683 nan 8.270 nan 0.000 0.422 65 E N 0.158 120.412 120.200 0.091 0.000 2.153 65 E HA -0.211 4.139 4.350 0.001 0.000 0.194 65 E C 1.895 178.556 176.600 0.103 0.000 0.988 65 E CA 0.838 57.291 56.400 0.088 0.000 0.811 65 E CB -0.467 29.257 29.700 0.040 0.000 0.746 65 E HN 0.292 nan 8.360 nan 0.000 0.466 66 R N 0.038 120.604 120.500 0.111 0.000 2.073 66 R HA -0.112 4.229 4.340 0.001 0.000 0.229 66 R C 2.104 178.458 176.300 0.090 0.000 1.120 66 R CA 1.205 57.354 56.100 0.082 0.000 0.967 66 R CB -0.408 29.929 30.300 0.063 0.000 0.862 66 R HN 0.277 nan 8.270 nan 0.000 0.436 67 W N 1.198 122.479 121.300 -0.032 0.000 2.332 67 W HA -0.214 4.446 4.660 0.001 0.000 0.321 67 W C 2.061 178.558 176.519 -0.036 0.000 1.219 67 W CA 2.561 59.862 57.345 -0.073 0.000 1.277 67 W CB -0.480 28.942 29.460 -0.063 0.000 1.161 67 W HN 0.187 nan 8.180 nan 0.000 0.476 68 A N -0.236 122.693 122.820 0.182 0.000 1.933 68 A HA -0.259 4.062 4.320 0.001 0.000 0.218 68 A C 1.642 179.145 177.584 -0.134 0.000 1.175 68 A CA 2.238 54.259 52.037 -0.026 0.000 0.628 68 A CB -1.289 17.852 19.000 0.235 0.000 0.814 68 A HN 0.476 nan 8.150 nan 0.000 0.444 69 D N -0.495 119.862 120.400 -0.072 0.000 2.218 69 D HA -0.068 4.572 4.640 0.001 0.000 0.204 69 D C 1.420 177.613 176.300 -0.178 0.000 0.976 69 D CA 0.895 54.852 54.000 -0.073 0.000 0.853 69 D CB -0.135 40.673 40.800 0.013 0.000 0.939 69 D HN 0.445 nan 8.370 nan 0.000 0.481 70 L N -0.227 120.820 121.223 -0.294 0.000 2.607 70 L HA 0.239 4.579 4.340 0.001 0.000 0.228 70 L C 0.523 177.153 176.870 -0.399 0.000 1.123 70 L CA -0.261 54.329 54.840 -0.417 0.000 0.890 70 L CB 0.296 42.104 42.059 -0.419 0.000 1.103 70 L HN -0.150 nan 8.230 nan 0.000 0.468 71 S N 0.891 116.349 115.700 -0.403 0.000 2.565 71 S HA 0.519 4.990 4.470 0.001 0.000 0.276 71 S C 0.498 174.939 174.600 -0.265 0.000 1.326 71 S CA -0.635 57.366 58.200 -0.331 0.000 1.045 71 S CB 1.385 64.343 63.200 -0.402 0.000 0.918 71 S HN 0.276 nan 8.310 nan 0.000 0.505 72 A N 3.357 126.074 122.820 -0.172 0.000 2.332 72 A HA 0.596 4.917 4.320 0.001 0.000 0.258 72 A C -0.197 177.236 177.584 -0.251 0.000 1.087 72 A CA -0.427 51.402 52.037 -0.347 0.000 0.802 72 A CB 0.329 18.922 19.000 -0.679 0.000 1.042 72 A HN 0.580 nan 8.150 nan 0.000 0.489 73 K N 0.756 120.969 120.400 -0.312 0.000 2.507 73 K HA 0.535 4.856 4.320 0.001 0.000 0.252 73 K C -0.668 175.931 176.600 -0.002 0.000 0.943 73 K CA -0.333 55.839 56.287 -0.192 0.000 0.808 73 K CB 1.684 33.962 32.500 -0.369 0.000 1.142 73 K HN 0.774 nan 8.250 nan 0.000 0.426 74 A N 3.341 126.191 122.820 0.050 0.000 2.444 74 A HA 0.260 4.580 4.320 0.001 0.000 0.273 74 A C 0.224 177.938 177.584 0.217 0.000 1.136 74 A CA 0.074 52.144 52.037 0.056 0.000 0.799 74 A CB -0.481 18.547 19.000 0.047 0.000 1.081 74 A HN 0.825 nan 8.150 nan 0.000 0.509 75 Y N 0.263 120.612 120.300 0.082 0.000 2.425 75 Y HA 0.498 5.048 4.550 0.001 0.000 0.261 75 Y C -0.079 175.951 175.900 0.216 0.000 1.084 75 Y CA -0.291 57.930 58.100 0.202 0.000 1.248 75 Y CB 0.304 38.912 38.460 0.246 0.000 1.270 75 Y HN 0.476 nan 8.280 nan 0.000 0.524 76 D N 0.469 120.543 120.400 -0.543 0.000 2.787 76 D HA 0.460 5.100 4.640 0.001 0.000 0.246 76 D C -1.922 174.223 176.300 -0.258 0.000 1.150 76 D CA -0.342 53.503 54.000 -0.260 0.000 0.864 76 D CB 1.317 41.853 40.800 -0.439 0.000 1.481 76 D HN 0.065 nan 8.370 nan 0.000 0.509 77 F N 2.292 122.264 119.950 0.036 0.000 2.539 77 F HA 0.313 4.840 4.527 0.001 0.000 0.328 77 F C -0.583 175.408 175.800 0.318 0.000 1.148 77 F CA -0.958 57.148 58.000 0.176 0.000 0.940 77 F CB 1.766 40.840 39.000 0.124 0.000 1.194 77 F HN 0.379 nan 8.300 nan 0.000 0.438 78 H N 2.181 121.460 119.070 0.350 0.000 2.589 78 H HA 0.268 4.824 4.556 0.001 0.000 0.335 78 H C -1.055 174.288 175.328 0.024 0.000 1.019 78 H CA -0.765 55.382 56.048 0.164 0.000 1.213 78 H CB 1.059 30.813 29.762 -0.014 0.000 1.472 78 H HN 0.472 nan 8.280 nan 0.000 0.508 79 D N 4.655 124.548 120.400 -0.845 0.000 2.348 79 D HA -0.013 4.627 4.640 0.001 0.000 0.253 79 D C 0.735 176.449 176.300 -0.976 0.000 1.161 79 D CA -0.172 52.940 54.000 -1.480 0.000 0.876 79 D CB 0.907 40.739 40.800 -1.613 0.000 1.160 79 D HN 0.583 nan 8.370 nan 0.000 0.459 80 M N 2.293 121.497 119.600 -0.661 0.000 2.514 80 M HA 0.137 4.617 4.480 0.001 0.000 0.258 80 M C 1.622 177.783 176.300 -0.231 0.000 1.119 80 M CA 0.738 55.868 55.300 -0.282 0.000 1.111 80 M CB -0.677 31.887 32.600 -0.061 0.000 1.390 80 M HN 0.751 nan 8.290 nan 0.000 0.475 81 G N 1.312 109.917 108.800 -0.326 0.000 2.217 81 G HA2 -0.257 3.704 3.960 0.001 0.000 0.246 81 G HA3 -0.257 3.704 3.960 0.001 0.000 0.246 81 G C 0.292 175.131 174.900 -0.101 0.000 0.990 81 G CA 0.650 45.633 45.100 -0.196 0.000 0.627 81 G HN 0.547 nan 8.290 nan 0.000 0.522 82 D N -0.471 119.891 120.400 -0.063 0.000 2.395 82 D HA 0.449 5.089 4.640 0.001 0.000 0.213 82 D C 1.679 177.976 176.300 -0.005 0.000 1.110 82 D CA 0.632 54.634 54.000 0.003 0.000 0.835 82 D CB -0.212 40.645 40.800 0.095 0.000 0.965 82 D HN 1.591 nan 8.370 nan 0.000 0.505 83 G N 0.028 108.823 108.800 -0.008 0.000 2.179 83 G HA2 -0.211 3.750 3.960 0.001 0.000 0.220 83 G HA3 -0.211 3.750 3.960 0.001 0.000 0.220 83 G C 0.280 175.282 174.900 0.170 0.000 0.990 83 G CA 0.191 45.335 45.100 0.074 0.000 0.646 83 G HN 0.879 nan 8.290 nan 0.000 0.517 84 S N -0.950 114.829 115.700 0.131 0.000 2.607 84 S HA 0.855 5.326 4.470 0.001 0.000 0.303 84 S C -0.828 173.872 174.600 0.167 0.000 1.086 84 S CA -0.713 57.653 58.200 0.277 0.000 0.995 84 S CB 2.094 65.497 63.200 0.339 0.000 1.084 84 S HN 0.616 nan 8.310 nan 0.000 0.507 85 W N 0.455 121.829 121.300 0.123 0.000 2.864 85 W HA 0.589 5.250 4.660 0.001 0.000 0.343 85 W C -0.892 175.683 176.519 0.093 0.000 1.109 85 W CA -1.098 56.306 57.345 0.097 0.000 1.192 85 W CB 1.105 30.633 29.460 0.114 0.000 1.426 85 W HN 0.447 nan 8.180 nan 0.000 0.529 86 I N 3.424 124.163 120.570 0.283 0.000 2.325 86 I HA 0.283 4.453 4.170 0.001 0.000 0.291 86 I C -0.248 175.909 176.117 0.067 0.000 1.019 86 I CA -1.093 60.295 61.300 0.145 0.000 1.302 86 I CB 0.139 38.142 38.000 0.005 0.000 1.401 86 I HN 0.046 nan 8.210 nan 0.000 0.485 87 V N 7.806 127.710 119.914 -0.017 0.000 2.448 87 V HA 0.463 4.584 4.120 0.001 0.000 0.295 87 V C 0.253 176.225 176.094 -0.204 0.000 1.025 87 V CA -0.897 61.234 62.300 -0.281 0.000 0.859 87 V CB 1.887 33.497 31.823 -0.356 0.000 0.988 87 V HN 0.613 nan 8.190 nan 0.000 0.431 88 R N 5.028 125.284 120.500 -0.405 0.000 2.294 88 R HA 0.712 5.052 4.340 0.001 0.000 0.319 88 R C -1.026 175.092 176.300 -0.303 0.000 0.984 88 R CA -0.424 55.461 56.100 -0.358 0.000 0.861 88 R CB 1.614 31.561 30.300 -0.588 0.000 1.104 88 R HN 0.598 nan 8.270 nan 0.000 0.451 89 I N 1.950 122.571 120.570 0.085 0.000 2.465 89 I HA 0.424 4.594 4.170 0.001 0.000 0.291 89 I C -0.183 176.095 176.117 0.268 0.000 1.014 89 I CA -0.890 60.501 61.300 0.153 0.000 1.093 89 I CB 2.086 40.173 38.000 0.145 0.000 1.267 89 I HN 0.618 nan 8.210 nan 0.000 0.431 90 A N 6.551 129.482 122.820 0.185 0.000 2.305 90 A HA 0.785 5.105 4.320 0.001 0.000 0.322 90 A C -1.457 176.058 177.584 -0.116 0.000 1.187 90 A CA -0.272 51.877 52.037 0.186 0.000 0.825 90 A CB 0.501 19.608 19.000 0.179 0.000 1.164 90 A HN 0.644 nan 8.150 nan 0.000 0.498 91 Y N 2.468 122.889 120.300 0.201 0.000 2.391 91 Y HA 0.454 5.004 4.550 0.001 0.000 0.341 91 Y C -2.254 173.742 175.900 0.160 0.000 0.965 91 Y CA -2.491 55.705 58.100 0.161 0.000 1.067 91 Y CB 2.252 40.929 38.460 0.362 0.000 1.199 91 Y HN 0.510 nan 8.280 nan 0.000 0.450 92 P HA -0.029 nan 4.420 nan 0.000 0.271 92 P C 0.530 177.890 177.300 0.100 0.000 1.216 92 P CA -0.174 62.964 63.100 0.063 0.000 0.771 92 P CB 0.626 32.270 31.700 -0.094 0.000 0.864 93 F N 3.238 123.346 119.950 0.264 0.000 2.216 93 F HA -0.196 4.332 4.527 0.001 0.000 0.300 93 F C 1.893 177.818 175.800 0.208 0.000 1.085 93 F CA 1.389 59.545 58.000 0.260 0.000 1.326 93 F CB -1.886 37.208 39.000 0.157 0.000 1.027 93 F HN 0.430 nan 8.300 nan 0.000 0.497 94 H N -0.110 118.705 119.070 -0.424 0.000 2.556 94 H HA 0.431 4.988 4.556 0.001 0.000 0.268 94 H C 1.686 176.905 175.328 -0.180 0.000 0.996 94 H CA 0.568 56.495 56.048 -0.202 0.000 1.157 94 H CB -0.848 28.680 29.762 -0.390 0.000 1.355 94 H HN 0.420 nan 8.280 nan 0.000 0.597 95 A N 0.595 123.053 122.820 -0.603 0.000 2.119 95 A HA 0.139 4.459 4.320 0.001 0.000 0.217 95 A C 0.162 177.336 177.584 -0.682 0.000 1.153 95 A CA 0.140 51.723 52.037 -0.757 0.000 0.692 95 A CB -0.326 18.091 19.000 -0.971 0.000 0.799 95 A HN 0.205 nan 8.150 nan 0.000 0.458 96 F N -0.546 119.380 119.950 -0.041 0.000 2.507 96 F HA 0.431 4.958 4.527 0.001 0.000 0.327 96 F C 0.428 176.223 175.800 -0.008 0.000 1.068 96 F CA -1.366 56.616 58.000 -0.031 0.000 0.965 96 F CB 0.925 39.895 39.000 -0.049 0.000 1.192 96 F HN 0.117 nan 8.300 nan 0.000 0.476 97 E N 1.701 122.001 120.200 0.168 0.000 2.414 97 E HA 0.004 4.354 4.350 0.001 0.000 0.263 97 E C -0.583 176.053 176.600 0.060 0.000 1.000 97 E CA -0.257 56.195 56.400 0.087 0.000 0.914 97 E CB 0.487 30.217 29.700 0.050 0.000 0.948 97 E HN 0.594 nan 8.360 nan 0.000 0.444 98 E N 2.536 122.753 120.200 0.029 0.000 2.414 98 E HA 0.140 4.490 4.350 0.001 0.000 0.263 98 E C 0.169 176.709 176.600 -0.100 0.000 1.000 98 E CA 0.555 56.933 56.400 -0.037 0.000 0.914 98 E CB 0.598 30.273 29.700 -0.041 0.000 0.948 98 E HN 0.713 nan 8.360 nan 0.000 0.444 99 A N 3.765 126.471 122.820 -0.191 0.000 2.791 99 A HA -0.216 4.105 4.320 0.001 0.000 0.292 99 A C 0.028 177.502 177.584 -0.183 0.000 1.487 99 A CA 0.883 52.762 52.037 -0.263 0.000 0.760 99 A CB -1.707 17.157 19.000 -0.226 0.000 1.031 99 A HN 0.519 nan 8.150 nan 0.000 0.503 100 N N -0.387 118.226 118.700 -0.144 0.000 2.762 100 N HA 0.370 5.110 4.740 0.001 0.000 0.252 100 N C 0.397 175.857 175.510 -0.084 0.000 1.269 100 N CA -0.174 52.827 53.050 -0.080 0.000 0.799 100 N CB 0.553 39.020 38.487 -0.034 0.000 1.173 100 N HN 0.424 nan 8.380 nan 0.000 0.516 101 L N 4.211 125.398 121.223 -0.061 0.000 2.046 101 L HA 0.205 4.546 4.340 0.001 0.000 0.208 101 L C -1.034 175.764 176.870 -0.120 0.000 1.077 101 L CA 2.006 56.818 54.840 -0.047 0.000 0.747 101 L CB -0.860 41.264 42.059 0.108 0.000 0.896 101 L HN 0.326 nan 8.230 nan 0.000 0.432 102 P HA -0.089 nan 4.420 nan 0.000 0.216 102 P C 1.609 178.877 177.300 -0.054 0.000 1.150 102 P CA 1.766 64.846 63.100 -0.034 0.000 0.837 102 P CB -0.352 31.390 31.700 0.068 0.000 0.786 103 G N 0.022 108.801 108.800 -0.035 0.000 2.403 103 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 103 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 103 G C 1.431 176.307 174.900 -0.040 0.000 1.154 103 G CA 0.129 45.224 45.100 -0.010 0.000 0.784 103 G HN 0.212 nan 8.290 nan 0.000 0.538 104 L N 0.060 121.195 121.223 -0.146 0.000 2.056 104 L HA 0.029 4.370 4.340 0.001 0.000 0.207 104 L C 2.615 179.320 176.870 -0.276 0.000 1.078 104 L CA 1.278 55.914 54.840 -0.340 0.000 0.749 104 L CB -0.542 41.224 42.059 -0.489 0.000 0.901 104 L HN 0.087 nan 8.230 nan 0.000 0.433 105 L N 0.631 121.702 121.223 -0.254 0.000 2.127 105 L HA -0.133 4.207 4.340 0.001 0.000 0.211 105 L C 2.916 179.712 176.870 -0.124 0.000 1.089 105 L CA 1.853 56.539 54.840 -0.255 0.000 0.757 105 L CB -1.698 40.108 42.059 -0.422 0.000 0.899 105 L HN 0.303 nan 8.230 nan 0.000 0.434 106 A N -1.707 121.069 122.820 -0.074 0.000 1.930 106 A HA -0.151 4.169 4.320 0.001 0.000 0.217 106 A C 2.491 180.077 177.584 0.003 0.000 1.175 106 A CA 1.837 53.868 52.037 -0.009 0.000 0.627 106 A CB -0.499 18.511 19.000 0.017 0.000 0.815 106 A HN 0.445 nan 8.150 nan 0.000 0.443 107 S N 0.150 115.854 115.700 0.006 0.000 2.335 107 S HA -0.107 4.363 4.470 0.001 0.000 0.217 107 S C 1.564 176.159 174.600 -0.007 0.000 1.032 107 S CA 1.551 59.777 58.200 0.043 0.000 0.985 107 S CB -0.463 62.847 63.200 0.183 0.000 0.896 107 S HN 0.773 nan 8.310 nan 0.000 0.445 108 I N -0.844 119.676 120.570 -0.083 0.000 3.812 108 I HA 0.547 4.717 4.170 0.001 0.000 0.320 108 I C 0.759 176.881 176.117 0.009 0.000 1.276 108 I CA -0.439 60.840 61.300 -0.034 0.000 1.164 108 I CB -0.143 37.747 38.000 -0.184 0.000 1.009 108 I HN 0.137 nan 8.210 nan 0.000 0.431 109 A N -0.097 122.704 122.820 -0.033 0.000 2.579 109 A HA 0.801 5.122 4.320 0.001 0.000 0.254 109 A C 0.789 178.469 177.584 0.160 0.000 0.873 109 A CA 0.025 52.106 52.037 0.073 0.000 1.106 109 A CB -0.729 18.381 19.000 0.183 0.000 1.222 109 A HN 0.390 nan 8.150 nan 0.000 0.470 110 G N 0.147 108.951 108.800 0.008 0.000 3.441 110 G HA2 0.268 4.228 3.960 0.001 0.000 0.195 110 G HA3 0.268 4.228 3.960 0.001 0.000 0.195 110 G C 0.694 175.642 174.900 0.080 0.000 1.633 110 G CA 0.225 45.370 45.100 0.076 0.000 0.895 110 G HN 0.174 nan 8.290 nan 0.000 0.654 111 N N 1.138 119.861 118.700 0.039 0.000 2.348 111 N HA -0.122 4.619 4.740 0.001 0.000 0.185 111 N C 2.340 177.846 175.510 -0.006 0.000 1.019 111 N CA 1.152 54.227 53.050 0.042 0.000 0.880 111 N CB -0.438 38.068 38.487 0.032 0.000 0.965 111 N HN 0.594 nan 8.380 nan 0.000 0.437 112 I N -2.705 117.789 120.570 -0.127 0.000 2.335 112 I HA -0.224 3.946 4.170 0.001 0.000 0.251 112 I C 1.296 177.300 176.117 -0.189 0.000 1.129 112 I CA 1.320 62.478 61.300 -0.236 0.000 1.402 112 I CB -0.763 36.986 38.000 -0.418 0.000 1.069 112 I HN -0.193 nan 8.210 nan 0.000 0.424 113 F N 2.410 122.365 119.950 0.008 0.000 2.373 113 F HA 0.001 4.528 4.527 0.001 0.000 0.300 113 F C 2.376 178.275 175.800 0.166 0.000 1.080 113 F CA 1.312 59.361 58.000 0.083 0.000 1.417 113 F CB -0.680 38.342 39.000 0.037 0.000 1.070 113 F HN 0.206 nan 8.300 nan 0.000 0.546 114 G N -1.259 107.674 108.800 0.222 0.000 3.324 114 G HA2 0.238 4.198 3.960 0.001 0.000 0.251 114 G HA3 0.238 4.198 3.960 0.001 0.000 0.251 114 G C 0.512 175.446 174.900 0.056 0.000 1.072 114 G CA -0.331 44.855 45.100 0.143 0.000 0.787 114 G HN 0.046 nan 8.290 nan 0.000 0.537 115 M N 0.474 120.085 119.600 0.018 0.000 2.245 115 M HA 0.209 4.689 4.480 0.001 0.000 0.344 115 M C 1.238 177.505 176.300 -0.054 0.000 1.170 115 M CA 0.227 55.503 55.300 -0.039 0.000 1.135 115 M CB 1.326 33.874 32.600 -0.088 0.000 1.574 115 M HN -0.085 nan 8.290 nan 0.000 0.452 116 K N 1.230 121.583 120.400 -0.078 0.000 2.288 116 K HA -0.021 4.300 4.320 0.001 0.000 0.201 116 K C 1.556 178.066 176.600 -0.151 0.000 1.048 116 K CA 0.915 57.157 56.287 -0.075 0.000 0.956 116 K CB 0.098 32.569 32.500 -0.049 0.000 0.746 116 K HN 0.512 nan 8.250 nan 0.000 0.461 117 R N 0.918 121.244 120.500 -0.291 0.000 2.316 117 R HA -0.027 4.313 4.340 0.001 0.000 0.202 117 R C 0.270 176.413 176.300 -0.261 0.000 1.029 117 R CA 0.451 56.232 56.100 -0.532 0.000 1.018 117 R CB 0.126 30.035 30.300 -0.651 0.000 0.888 117 R HN 0.028 nan 8.270 nan 0.000 0.471 118 V N -2.237 117.599 119.914 -0.129 0.000 2.540 118 V HA 0.300 4.421 4.120 0.001 0.000 0.302 118 V C 0.579 176.682 176.094 0.014 0.000 1.035 118 V CA -1.006 61.273 62.300 -0.036 0.000 0.873 118 V CB 2.110 33.922 31.823 -0.018 0.000 0.992 118 V HN -0.084 nan 8.190 nan 0.000 0.428 119 K N 3.597 124.021 120.400 0.040 0.000 2.167 119 K HA 0.365 4.685 4.320 0.001 0.000 0.203 119 K C 0.732 177.356 176.600 0.039 0.000 1.052 119 K CA 1.286 57.590 56.287 0.028 0.000 0.956 119 K CB 0.111 32.629 32.500 0.029 0.000 0.735 119 K HN 1.104 nan 8.250 nan 0.000 0.451 120 G N 0.440 109.322 108.800 0.135 0.000 2.720 120 G HA2 0.520 4.480 3.960 0.001 0.000 0.295 120 G HA3 0.520 4.480 3.960 0.001 0.000 0.295 120 G C -2.354 172.778 174.900 0.386 0.000 1.437 120 G CA -0.666 44.616 45.100 0.304 0.000 0.886 120 G HN 0.066 nan 8.290 nan 0.000 0.509 121 L N 0.935 122.507 121.223 0.582 0.000 2.516 121 L HA 0.764 5.105 4.340 0.001 0.000 0.267 121 L C -1.000 176.116 176.870 0.411 0.000 0.957 121 L CA -0.773 54.287 54.840 0.367 0.000 0.860 121 L CB 1.992 44.162 42.059 0.186 0.000 1.265 121 L HN 0.489 nan 8.230 nan 0.000 0.403 122 R N 4.497 125.248 120.500 0.419 0.000 2.388 122 R HA 0.446 4.786 4.340 0.001 0.000 0.314 122 R C -1.513 175.035 176.300 0.413 0.000 0.959 122 R CA -0.895 55.429 56.100 0.372 0.000 0.851 122 R CB 1.425 31.885 30.300 0.266 0.000 1.168 122 R HN 0.696 nan 8.270 nan 0.000 0.472 123 L N 4.942 126.418 121.223 0.421 0.000 2.385 123 L HA 0.173 4.514 4.340 0.001 0.000 0.281 123 L C 0.994 177.900 176.870 0.059 0.000 1.106 123 L CA 0.770 55.684 54.840 0.123 0.000 0.856 123 L CB 0.629 42.769 42.059 0.136 0.000 1.186 123 L HN 0.552 nan 8.230 nan 0.000 0.453 124 E N 2.340 122.535 120.200 -0.008 0.000 2.216 124 E HA 0.107 4.457 4.350 0.001 0.000 0.192 124 E C -0.218 176.419 176.600 0.061 0.000 0.973 124 E CA 0.384 56.809 56.400 0.041 0.000 0.851 124 E CB 0.483 30.230 29.700 0.079 0.000 0.804 124 E HN 0.682 nan 8.360 nan 0.000 0.477 125 D N -0.831 119.562 120.400 -0.012 0.000 2.623 125 D HA 0.363 5.003 4.640 0.001 0.000 0.241 125 D C -1.580 174.678 176.300 -0.069 0.000 1.241 125 D CA -0.496 53.541 54.000 0.062 0.000 0.788 125 D CB 1.552 42.418 40.800 0.109 0.000 1.413 125 D HN -0.147 nan 8.370 nan 0.000 0.429 126 L N 3.107 124.269 121.223 -0.102 0.000 2.372 126 L HA 0.341 4.682 4.340 0.001 0.000 0.273 126 L C -1.155 175.573 176.870 -0.238 0.000 0.989 126 L CA -1.019 53.688 54.840 -0.222 0.000 0.841 126 L CB 1.606 43.383 42.059 -0.469 0.000 1.225 126 L HN 0.426 nan 8.230 nan 0.000 0.414 127 Y N 4.527 124.763 120.300 -0.106 0.000 2.336 127 Y HA 0.452 5.003 4.550 0.001 0.000 0.335 127 Y C -1.076 174.912 175.900 0.146 0.000 1.046 127 Y CA -0.248 57.834 58.100 -0.030 0.000 1.198 127 Y CB 0.580 39.089 38.460 0.083 0.000 1.182 127 Y HN 0.249 nan 8.280 nan 0.000 0.502 128 F N 8.154 127.624 119.950 -0.800 0.000 2.427 128 F HA 0.442 4.969 4.527 0.001 0.000 0.346 128 F C -2.129 173.117 175.800 -0.923 0.000 1.120 128 F CA -3.509 54.104 58.000 -0.645 0.000 1.033 128 F CB 1.167 39.931 39.000 -0.394 0.000 1.126 128 F HN 0.446 nan 8.300 nan 0.000 0.462 129 P HA 0.056 nan 4.420 nan 0.000 0.274 129 P C 0.730 177.957 177.300 -0.122 0.000 1.246 129 P CA -0.148 62.871 63.100 -0.133 0.000 0.795 129 P CB 1.094 32.863 31.700 0.114 0.000 1.006 130 E N 1.141 121.300 120.200 -0.068 0.000 2.147 130 E HA -0.281 4.069 4.350 0.001 0.000 0.199 130 E C 1.787 178.208 176.600 -0.298 0.000 1.005 130 E CA 1.734 57.980 56.400 -0.257 0.000 0.810 130 E CB -0.087 29.324 29.700 -0.482 0.000 0.736 130 E HN 0.378 nan 8.360 nan 0.000 0.460 131 K N -0.078 120.151 120.400 -0.284 0.000 2.097 131 K HA -0.169 4.151 4.320 0.001 0.000 0.206 131 K C 2.028 178.436 176.600 -0.320 0.000 1.049 131 K CA 1.088 57.159 56.287 -0.360 0.000 0.933 131 K CB -0.036 32.115 32.500 -0.582 0.000 0.717 131 K HN 0.077 nan 8.250 nan 0.000 0.442 132 L N 0.942 121.990 121.223 -0.292 0.000 2.044 132 L HA -0.101 4.239 4.340 0.001 0.000 0.205 132 L C 2.142 178.992 176.870 -0.032 0.000 1.075 132 L CA 0.967 55.641 54.840 -0.276 0.000 0.747 132 L CB -0.424 41.312 42.059 -0.537 0.000 0.903 132 L HN 0.216 nan 8.230 nan 0.000 0.435 133 I N -0.066 120.512 120.570 0.013 0.000 2.145 133 I HA -0.357 3.814 4.170 0.001 0.000 0.244 133 I C 2.390 178.600 176.117 0.154 0.000 1.075 133 I CA 1.660 63.040 61.300 0.133 0.000 1.332 133 I CB -1.055 36.989 38.000 0.073 0.000 1.033 133 I HN 0.342 nan 8.210 nan 0.000 0.410 134 R N 0.364 120.851 120.500 -0.022 0.000 2.339 134 R HA -0.069 4.272 4.340 0.001 0.000 0.199 134 R C 1.577 177.835 176.300 -0.070 0.000 1.018 134 R CA 0.235 56.304 56.100 -0.051 0.000 1.036 134 R CB -0.104 30.107 30.300 -0.148 0.000 0.899 134 R HN 0.504 nan 8.270 nan 0.000 0.473 135 E N -0.380 119.755 120.200 -0.108 0.000 2.502 135 E HA -0.003 4.348 4.350 0.001 0.000 0.194 135 E C -0.503 175.844 176.600 -0.421 0.000 1.062 135 E CA 0.356 56.585 56.400 -0.285 0.000 0.867 135 E CB 0.264 29.718 29.700 -0.410 0.000 0.888 135 E HN 0.095 nan 8.360 nan 0.000 0.510 136 F N -0.415 119.512 119.950 -0.038 0.000 2.556 136 F HA 0.227 4.755 4.527 0.001 0.000 0.327 136 F C 1.150 176.959 175.800 0.014 0.000 1.059 136 F CA -0.905 57.099 58.000 0.007 0.000 0.953 136 F CB 1.401 40.429 39.000 0.047 0.000 1.227 136 F HN -0.233 nan 8.300 nan 0.000 0.478 137 D N 0.610 121.142 120.400 0.219 0.000 2.355 137 D HA 0.215 4.856 4.640 0.001 0.000 0.206 137 D C 1.179 177.556 176.300 0.129 0.000 1.010 137 D CA 1.065 55.139 54.000 0.124 0.000 0.875 137 D CB 0.432 41.274 40.800 0.070 0.000 0.966 137 D HN 0.741 nan 8.370 nan 0.000 0.512 138 G N 1.713 110.617 108.800 0.173 0.000 2.752 138 G HA2 -0.232 3.728 3.960 0.001 0.000 0.234 138 G HA3 -0.232 3.728 3.960 0.001 0.000 0.234 138 G C -2.648 172.301 174.900 0.081 0.000 1.367 138 G CA -0.980 44.191 45.100 0.117 0.000 0.879 138 G HN -0.003 nan 8.290 nan 0.000 0.563 139 P HA 0.413 nan 4.420 nan 0.000 0.267 139 P C 0.751 178.082 177.300 0.052 0.000 1.205 139 P CA 0.857 63.994 63.100 0.061 0.000 0.765 139 P CB 0.989 32.716 31.700 0.045 0.000 0.828 140 A N 2.436 125.301 122.820 0.074 0.000 2.016 140 A HA -0.057 4.263 4.320 0.001 0.000 0.217 140 A C 1.313 178.798 177.584 -0.165 0.000 1.162 140 A CA 1.376 53.393 52.037 -0.034 0.000 0.662 140 A CB -1.030 17.956 19.000 -0.024 0.000 0.812 140 A HN 0.505 nan 8.150 nan 0.000 0.450 141 F N -1.220 118.720 119.950 -0.017 0.000 2.480 141 F HA 0.412 4.939 4.527 0.001 0.000 0.280 141 F C 1.771 177.567 175.800 -0.008 0.000 1.002 141 F CA 0.699 58.692 58.000 -0.011 0.000 1.325 141 F CB -0.428 38.562 39.000 -0.017 0.000 1.134 141 F HN 0.437 nan 8.300 nan 0.000 0.646 142 G N 1.282 110.199 108.800 0.196 0.000 2.752 142 G HA2 -0.295 3.665 3.960 0.001 0.000 0.234 142 G HA3 -0.295 3.665 3.960 0.001 0.000 0.234 142 G C 0.731 175.663 174.900 0.053 0.000 1.367 142 G CA -0.028 45.113 45.100 0.068 0.000 0.879 142 G HN 0.252 nan 8.290 nan 0.000 0.563 143 I N 0.172 120.654 120.570 -0.148 0.000 2.163 143 I HA -0.161 4.009 4.170 0.001 0.000 0.243 143 I C 2.668 178.718 176.117 -0.112 0.000 1.085 143 I CA 2.277 63.339 61.300 -0.397 0.000 1.347 143 I CB -0.312 37.254 38.000 -0.723 0.000 1.044 143 I HN 0.819 nan 8.210 nan 0.000 0.408 144 E N 1.139 121.301 120.200 -0.063 0.000 2.058 144 E HA -0.211 4.139 4.350 0.001 0.000 0.194 144 E C 2.273 178.925 176.600 0.087 0.000 0.997 144 E CA 1.511 57.914 56.400 0.004 0.000 0.801 144 E CB -0.260 29.433 29.700 -0.013 0.000 0.746 144 E HN 0.504 nan 8.360 nan 0.000 0.450 145 G N 0.362 109.243 108.800 0.135 0.000 2.418 145 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 145 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 145 G C 1.632 176.735 174.900 0.338 0.000 1.158 145 G CA 0.974 46.232 45.100 0.264 0.000 0.771 145 G HN 0.242 nan 8.290 nan 0.000 0.545 146 V N 0.475 120.571 119.914 0.303 0.000 2.323 146 V HA -0.079 4.041 4.120 0.001 0.000 0.244 146 V C 2.842 179.104 176.094 0.279 0.000 1.041 146 V CA 1.557 64.028 62.300 0.285 0.000 1.025 146 V CB -0.466 31.588 31.823 0.384 0.000 0.656 146 V HN 0.267 nan 8.190 nan 0.000 0.451 147 R N 0.742 121.423 120.500 0.303 0.000 2.127 147 R HA -0.239 4.101 4.340 0.001 0.000 0.238 147 R C 2.319 178.717 176.300 0.164 0.000 1.134 147 R CA 1.919 58.163 56.100 0.240 0.000 0.975 147 R CB -0.264 30.152 30.300 0.193 0.000 0.865 147 R HN 0.661 nan 8.270 nan 0.000 0.447 148 K N 0.323 120.814 120.400 0.152 0.000 2.262 148 K HA -0.013 4.307 4.320 0.001 0.000 0.200 148 K C 2.000 178.677 176.600 0.129 0.000 1.049 148 K CA 0.853 57.213 56.287 0.121 0.000 0.979 148 K CB -0.203 32.357 32.500 0.100 0.000 0.773 148 K HN 0.037 nan 8.250 nan 0.000 0.474 149 M N 0.263 119.958 119.600 0.159 0.000 2.117 149 M HA -0.059 4.421 4.480 0.001 0.000 0.262 149 M C 0.662 177.035 176.300 0.120 0.000 1.065 149 M CA 1.514 56.898 55.300 0.140 0.000 1.114 149 M CB 0.091 32.763 32.600 0.120 0.000 1.361 149 M HN 0.244 nan 8.290 nan 0.000 0.408 150 L N 1.017 122.320 121.223 0.134 0.000 2.567 150 L HA 0.171 4.511 4.340 0.001 0.000 0.225 150 L C 0.330 177.258 176.870 0.096 0.000 1.119 150 L CA 0.904 55.814 54.840 0.117 0.000 0.871 150 L CB -0.744 41.395 42.059 0.132 0.000 1.036 150 L HN 0.397 nan 8.230 nan 0.000 0.459 151 E N 0.314 120.572 120.200 0.097 0.000 2.269 151 E HA -0.242 4.108 4.350 0.001 0.000 0.223 151 E C -0.191 176.456 176.600 0.078 0.000 1.244 151 E CA 0.281 56.729 56.400 0.080 0.000 0.713 151 E CB -1.379 28.359 29.700 0.063 0.000 1.178 151 E HN 0.369 nan 8.360 nan 0.000 0.370 152 I N 0.717 121.344 120.570 0.097 0.000 2.420 152 I HA 0.131 4.301 4.170 0.001 0.000 0.282 152 I C 1.250 177.429 176.117 0.103 0.000 1.019 152 I CA -0.519 60.837 61.300 0.094 0.000 1.130 152 I CB 1.351 39.412 38.000 0.103 0.000 1.262 152 I HN 0.023 nan 8.210 nan 0.000 0.454 153 K N 3.537 123.984 120.400 0.077 0.000 2.076 153 K HA -0.050 4.270 4.320 0.001 0.000 0.204 153 K C 0.559 177.200 176.600 0.068 0.000 1.051 153 K CA 1.447 57.775 56.287 0.068 0.000 0.949 153 K CB 0.455 32.984 32.500 0.048 0.000 0.726 153 K HN 0.606 nan 8.250 nan 0.000 0.443 154 D N -0.757 119.682 120.400 0.065 0.000 2.409 154 D HA -0.002 4.638 4.640 0.001 0.000 0.301 154 D C 0.150 176.491 176.300 0.067 0.000 1.095 154 D CA -0.003 54.031 54.000 0.056 0.000 0.929 154 D CB 0.249 41.069 40.800 0.034 0.000 1.623 154 D HN 0.207 nan 8.370 nan 0.000 0.506 155 R N 1.962 122.499 120.500 0.061 0.000 2.707 155 R HA 0.404 4.744 4.340 0.001 0.000 0.270 155 R C -2.631 173.723 176.300 0.089 0.000 1.083 155 R CA -1.107 55.025 56.100 0.053 0.000 1.182 155 R CB -0.849 29.468 30.300 0.028 0.000 1.084 155 R HN -0.233 nan 8.270 nan 0.000 0.528 156 P HA -0.010 nan 4.420 nan 0.000 0.267 156 P C -0.381 176.964 177.300 0.074 0.000 1.200 156 P CA 0.163 63.315 63.100 0.087 0.000 0.772 156 P CB 0.392 32.123 31.700 0.051 0.000 0.855 157 I N 2.587 123.173 120.570 0.026 0.000 2.575 157 I HA 0.146 4.317 4.170 0.001 0.000 0.285 157 I C 0.101 176.295 176.117 0.128 0.000 1.085 157 I CA -0.121 61.198 61.300 0.032 0.000 1.403 157 I CB 0.182 38.112 38.000 -0.116 0.000 1.409 157 I HN 0.381 nan 8.210 nan 0.000 0.557 158 Y N 4.871 125.161 120.300 -0.017 0.000 2.442 158 Y HA 0.774 5.325 4.550 0.001 0.000 0.344 158 Y C -0.377 175.243 175.900 -0.466 0.000 0.976 158 Y CA -0.838 57.182 58.100 -0.133 0.000 1.040 158 Y CB 1.894 40.270 38.460 -0.140 0.000 1.228 158 Y HN 0.589 nan 8.280 nan 0.000 0.451 159 G N 2.609 110.485 108.800 -1.540 0.000 2.623 159 G HA2 0.570 4.531 3.960 0.001 0.000 0.290 159 G HA3 0.570 4.531 3.960 0.001 0.000 0.290 159 G C -2.518 171.530 174.900 -1.420 0.000 1.437 159 G CA -0.818 42.760 45.100 -2.536 0.000 0.798 159 G HN 0.695 nan 8.290 nan 0.000 0.488 160 V N -0.017 119.285 119.914 -1.021 0.000 2.638 160 V HA 0.569 4.690 4.120 0.001 0.000 0.306 160 V C -0.264 175.734 176.094 -0.160 0.000 1.052 160 V CA -0.811 61.239 62.300 -0.417 0.000 0.885 160 V CB 1.776 33.399 31.823 -0.334 0.000 0.999 160 V HN 0.646 nan 8.190 nan 0.000 0.424 161 V N 6.382 126.282 119.914 -0.023 0.000 2.383 161 V HA 0.343 4.463 4.120 0.001 0.000 0.275 161 V C -2.235 173.888 176.094 0.048 0.000 1.036 161 V CA -1.907 60.434 62.300 0.068 0.000 0.889 161 V CB 1.611 33.505 31.823 0.119 0.000 0.985 161 V HN 0.744 nan 8.190 nan 0.000 0.459 162 P HA 0.184 nan 4.420 nan 0.000 0.268 162 P C -0.716 176.604 177.300 0.033 0.000 1.204 162 P CA -0.047 63.031 63.100 -0.037 0.000 0.768 162 P CB 0.443 32.003 31.700 -0.233 0.000 0.842 163 K N 3.357 123.763 120.400 0.010 0.000 2.378 163 K HA 0.465 4.786 4.320 0.001 0.000 0.252 163 K C -2.327 174.303 176.600 0.050 0.000 0.931 163 K CA -2.035 54.291 56.287 0.066 0.000 0.794 163 K CB 0.998 33.535 32.500 0.063 0.000 1.181 163 K HN 0.332 nan 8.250 nan 0.000 0.425 164 P HA 0.158 nan 4.420 nan 0.000 0.270 164 P C 0.331 177.766 177.300 0.225 0.000 1.223 164 P CA -0.250 62.932 63.100 0.136 0.000 0.785 164 P CB 1.044 32.813 31.700 0.116 0.000 0.923 165 K N -0.054 120.437 120.400 0.151 0.000 2.001 165 K HA -0.073 4.247 4.320 0.001 0.000 0.214 165 K C 1.152 177.839 176.600 0.144 0.000 1.050 165 K CA 1.764 58.138 56.287 0.146 0.000 0.934 165 K CB -0.424 32.118 32.500 0.069 0.000 0.718 165 K HN 0.520 nan 8.250 nan 0.000 0.443 166 V N -5.749 114.187 119.914 0.037 0.000 3.156 166 V HA 0.771 4.892 4.120 0.001 0.000 0.311 166 V C 0.398 176.386 176.094 -0.177 0.000 1.208 166 V CA -0.288 61.940 62.300 -0.121 0.000 1.063 166 V CB 1.418 33.230 31.823 -0.018 0.000 1.098 166 V HN 0.482 nan 8.190 nan 0.000 0.452 167 G N 0.077 108.629 108.800 -0.414 0.000 2.163 167 G HA2 -0.148 3.812 3.960 0.001 0.000 0.213 167 G HA3 -0.148 3.812 3.960 0.001 0.000 0.213 167 G C -0.408 174.364 174.900 -0.213 0.000 0.991 167 G CA 0.412 45.214 45.100 -0.497 0.000 0.653 167 G HN 2.293 nan 8.290 nan 0.000 0.518 168 Y N 0.901 121.163 120.300 -0.063 0.000 2.487 168 Y HA 0.839 5.390 4.550 0.001 0.000 0.337 168 Y C 0.362 176.290 175.900 0.046 0.000 1.076 168 Y CA -1.295 56.804 58.100 -0.002 0.000 1.115 168 Y CB 1.143 39.623 38.460 0.032 0.000 1.235 168 Y HN 0.551 nan 8.280 nan 0.000 0.468 169 S N 0.945 116.785 115.700 0.234 0.000 2.672 169 S HA 0.463 4.934 4.470 0.001 0.000 0.276 169 S C -2.195 172.540 174.600 0.225 0.000 1.207 169 S CA -1.357 56.930 58.200 0.146 0.000 1.002 169 S CB 1.680 64.945 63.200 0.108 0.000 0.998 169 S HN 0.563 nan 8.310 nan 0.000 0.542 170 P HA -0.076 nan 4.420 nan 0.000 0.215 170 P C 1.000 178.409 177.300 0.180 0.000 1.157 170 P CA 1.331 64.531 63.100 0.167 0.000 0.868 170 P CB -0.039 31.695 31.700 0.058 0.000 0.788 171 E N -0.129 120.133 120.200 0.105 0.000 2.077 171 E HA -0.196 4.154 4.350 0.001 0.000 0.193 171 E C 1.984 178.620 176.600 0.059 0.000 0.989 171 E CA 1.274 57.708 56.400 0.057 0.000 0.800 171 E CB -0.703 29.020 29.700 0.038 0.000 0.746 171 E HN 0.397 nan 8.360 nan 0.000 0.452 172 E N -0.089 120.174 120.200 0.104 0.000 2.058 172 E HA -0.197 4.154 4.350 0.001 0.000 0.194 172 E C 1.803 178.447 176.600 0.073 0.000 0.997 172 E CA 1.027 57.479 56.400 0.085 0.000 0.801 172 E CB -0.261 29.513 29.700 0.124 0.000 0.746 172 E HN 0.197 nan 8.360 nan 0.000 0.450 173 F N 2.239 122.188 119.950 -0.003 0.000 2.091 173 F HA -0.285 4.243 4.527 0.001 0.000 0.299 173 F C 2.213 177.947 175.800 -0.109 0.000 1.103 173 F CA 2.103 60.054 58.000 -0.082 0.000 1.228 173 F CB -0.291 38.734 39.000 0.042 0.000 0.984 173 F HN -0.010 nan 8.300 nan 0.000 0.477 174 E N 0.274 120.340 120.200 -0.222 0.000 2.070 174 E HA -0.338 4.012 4.350 0.001 0.000 0.197 174 E C 2.396 178.826 176.600 -0.283 0.000 1.004 174 E CA 1.950 58.153 56.400 -0.329 0.000 0.805 174 E CB -0.358 29.245 29.700 -0.161 0.000 0.744 174 E HN 0.514 nan 8.360 nan 0.000 0.451 175 K N 0.033 120.329 120.400 -0.174 0.000 2.057 175 K HA -0.164 4.157 4.320 0.001 0.000 0.206 175 K C 2.324 178.856 176.600 -0.114 0.000 1.050 175 K CA 0.998 57.223 56.287 -0.102 0.000 0.935 175 K CB -0.184 32.275 32.500 -0.068 0.000 0.715 175 K HN 0.151 nan 8.250 nan 0.000 0.439 176 L N 1.333 122.447 121.223 -0.181 0.000 1.990 176 L HA -0.165 4.175 4.340 0.001 0.000 0.213 176 L C 2.257 178.968 176.870 -0.266 0.000 1.072 176 L CA 2.307 57.027 54.840 -0.199 0.000 0.755 176 L CB -0.874 41.058 42.059 -0.211 0.000 0.889 176 L HN 0.256 nan 8.230 nan 0.000 0.432 177 A N -1.748 120.799 122.820 -0.454 0.000 1.902 177 A HA -0.281 4.040 4.320 0.001 0.000 0.217 177 A C 2.307 179.721 177.584 -0.284 0.000 1.181 177 A CA 1.746 53.490 52.037 -0.487 0.000 0.623 177 A CB -1.204 17.265 19.000 -0.886 0.000 0.818 177 A HN 0.648 nan 8.150 nan 0.000 0.443 178 Y N 1.191 121.298 120.300 -0.321 0.000 2.181 178 Y HA -0.223 4.327 4.550 0.001 0.000 0.288 178 Y C 1.914 177.709 175.900 -0.175 0.000 1.146 178 Y CA 2.010 59.978 58.100 -0.221 0.000 1.164 178 Y CB -0.199 38.149 38.460 -0.187 0.000 0.982 178 Y HN 0.352 nan 8.280 nan 0.000 0.515 179 D N 0.119 120.417 120.400 -0.169 0.000 2.084 179 D HA -0.186 4.455 4.640 0.001 0.000 0.196 179 D C 2.400 178.562 176.300 -0.230 0.000 0.985 179 D CA 1.709 55.587 54.000 -0.204 0.000 0.826 179 D CB -0.551 40.190 40.800 -0.098 0.000 0.978 179 D HN 0.384 nan 8.370 nan 0.000 0.456 180 L N 0.465 121.563 121.223 -0.207 0.000 1.989 180 L HA -0.167 4.173 4.340 0.001 0.000 0.211 180 L C 2.646 179.381 176.870 -0.224 0.000 1.071 180 L CA 0.864 55.585 54.840 -0.197 0.000 0.749 180 L CB -0.462 41.469 42.059 -0.212 0.000 0.890 180 L HN 0.046 nan 8.230 nan 0.000 0.431 181 L N -1.121 119.944 121.223 -0.263 0.000 2.131 181 L HA -0.162 4.178 4.340 0.001 0.000 0.210 181 L C 2.549 179.271 176.870 -0.246 0.000 1.092 181 L CA 0.840 55.532 54.840 -0.247 0.000 0.759 181 L CB -0.442 41.480 42.059 -0.228 0.000 0.903 181 L HN 0.202 nan 8.230 nan 0.000 0.435 182 S N -0.404 115.091 115.700 -0.342 0.000 2.453 182 S HA -0.013 4.457 4.470 0.001 0.000 0.231 182 S C 1.275 175.747 174.600 -0.214 0.000 1.005 182 S CA 0.645 58.634 58.200 -0.351 0.000 0.949 182 S CB -0.083 62.762 63.200 -0.591 0.000 0.774 182 S HN 0.440 nan 8.310 nan 0.000 0.510 183 N N 0.044 118.639 118.700 -0.176 0.000 2.275 183 N HA 0.261 5.002 4.740 0.001 0.000 0.236 183 N C 0.901 176.379 175.510 -0.054 0.000 1.154 183 N CA 0.605 53.590 53.050 -0.109 0.000 0.866 183 N CB 1.393 39.816 38.487 -0.108 0.000 1.093 183 N HN 0.479 nan 8.380 nan 0.000 0.515 184 G N 0.263 109.035 108.800 -0.047 0.000 2.797 184 G HA2 -0.170 3.790 3.960 0.001 0.000 0.195 184 G HA3 -0.170 3.790 3.960 0.001 0.000 0.195 184 G C 0.220 175.155 174.900 0.059 0.000 1.026 184 G CA -0.102 45.014 45.100 0.026 0.000 0.759 184 G HN 0.459 nan 8.290 nan 0.000 0.475 185 A N 1.036 123.822 122.820 -0.056 0.000 2.546 185 A HA 0.464 4.784 4.320 0.001 0.000 0.243 185 A C 1.140 178.538 177.584 -0.309 0.000 1.063 185 A CA 1.128 52.931 52.037 -0.391 0.000 0.757 185 A CB 0.175 18.840 19.000 -0.559 0.000 0.991 185 A HN 0.274 nan 8.150 nan 0.000 0.503 186 D N 0.011 120.201 120.400 -0.350 0.000 2.249 186 D HA 0.092 4.732 4.640 0.001 0.000 0.205 186 D C 0.047 176.252 176.300 -0.159 0.000 0.962 186 D CA 1.801 55.703 54.000 -0.164 0.000 0.860 186 D CB 0.037 40.822 40.800 -0.026 0.000 0.955 186 D HN 0.744 nan 8.370 nan 0.000 0.505 187 Y N -1.874 118.177 120.300 -0.416 0.000 2.609 187 Y HA 0.527 5.078 4.550 0.001 0.000 0.336 187 Y C -0.822 174.794 175.900 -0.472 0.000 1.129 187 Y CA -1.442 56.363 58.100 -0.493 0.000 1.040 187 Y CB 0.721 38.646 38.460 -0.893 0.000 1.310 187 Y HN -0.399 nan 8.280 nan 0.000 0.460 191 D N 0.932 121.384 120.400 0.086 0.000 2.368 191 D HA -0.007 4.633 4.640 0.001 0.000 0.240 191 D C 1.394 177.642 176.300 -0.087 0.000 1.169 191 D CA 0.033 54.050 54.000 0.027 0.000 0.906 191 D CB 1.054 41.886 40.800 0.053 0.000 1.187 191 D HN 0.375 nan 8.370 nan 0.000 0.435 192 E N 1.904 121.954 120.200 -0.250 0.000 2.338 192 E HA -0.200 4.150 4.350 0.001 0.000 0.197 192 E C 0.683 177.152 176.600 -0.219 0.000 1.007 192 E CA 0.826 56.973 56.400 -0.421 0.000 0.849 192 E CB -0.361 28.722 29.700 -1.028 0.000 0.774 192 E HN 0.507 nan 8.360 nan 0.000 0.506 193 N N 0.956 119.576 118.700 -0.133 0.000 2.230 193 N HA 0.018 4.758 4.740 0.001 0.000 0.202 193 N C 0.072 175.545 175.510 -0.062 0.000 1.119 193 N CA -0.356 52.645 53.050 -0.081 0.000 0.851 193 N CB -0.142 38.314 38.487 -0.051 0.000 0.990 193 N HN 0.101 nan 8.380 nan 0.000 0.497 194 L N 2.060 123.244 121.223 -0.064 0.000 2.261 194 L HA 0.388 4.729 4.340 0.001 0.000 0.289 194 L C 0.734 177.568 176.870 -0.060 0.000 1.059 194 L CA 0.061 54.855 54.840 -0.078 0.000 0.816 194 L CB 0.668 42.680 42.059 -0.078 0.000 1.191 194 L HN 0.276 nan 8.230 nan 0.000 0.431 195 T N -0.063 114.440 114.554 -0.086 0.000 2.090 195 T HA 0.285 4.636 4.350 0.001 0.000 0.179 195 T C 0.419 175.099 174.700 -0.033 0.000 0.687 195 T CA 0.158 62.232 62.100 -0.044 0.000 1.523 195 T CB 0.173 69.001 68.868 -0.067 0.000 3.135 195 T HN 0.327 nan 8.240 nan 0.000 0.403 196 S N 3.072 118.727 115.700 -0.076 0.000 2.204 196 S HA 0.453 4.923 4.470 0.001 0.000 0.178 196 S C -2.610 171.886 174.600 -0.172 0.000 1.493 196 S CA -1.329 56.825 58.200 -0.077 0.000 1.266 196 S CB -0.166 63.044 63.200 0.015 0.000 1.232 196 S HN 0.511 nan 8.310 nan 0.000 0.406 197 P HA 0.176 nan 4.420 nan 0.000 0.276 197 P C 1.527 178.531 177.300 -0.494 0.000 1.261 197 P CA -0.686 62.126 63.100 -0.479 0.000 0.800 197 P CB 0.299 31.428 31.700 -0.951 0.000 1.066 198 W N 1.536 122.696 121.300 -0.233 0.000 2.342 198 W HA -0.226 4.434 4.660 0.001 0.000 0.297 198 W C 1.470 177.933 176.519 -0.092 0.000 1.213 198 W CA 1.228 58.515 57.345 -0.096 0.000 1.251 198 W CB -2.019 27.451 29.460 0.015 0.000 1.136 198 W HN 0.394 nan 8.180 nan 0.000 0.526 199 Y N 0.278 119.938 120.300 -1.066 0.000 2.529 199 Y HA 0.335 4.885 4.550 0.001 0.000 0.290 199 Y C 0.606 176.225 175.900 -0.469 0.000 1.177 199 Y CA 0.549 58.063 58.100 -0.978 0.000 1.305 199 Y CB -0.938 36.585 38.460 -1.562 0.000 1.047 199 Y HN -0.101 nan 8.280 nan 0.000 0.522 200 N N 1.287 119.571 118.700 -0.694 0.000 2.946 200 N HA 0.073 4.813 4.740 0.001 0.000 0.213 200 N C -1.415 173.905 175.510 -0.316 0.000 1.440 200 N CA -0.234 52.561 53.050 -0.425 0.000 0.745 200 N CB 0.564 38.761 38.487 -0.482 0.000 1.471 200 N HN 0.085 nan 8.380 nan 0.000 0.569 201 R N 1.257 121.656 120.500 -0.168 0.000 2.570 201 R HA 0.054 4.394 4.340 0.001 0.000 0.277 201 R C 1.342 177.649 176.300 0.013 0.000 1.039 201 R CA -0.271 55.796 56.100 -0.056 0.000 1.065 201 R CB 0.148 30.449 30.300 0.000 0.000 0.964 201 R HN 0.429 nan 8.270 nan 0.000 0.428 202 F N 2.557 122.477 119.950 -0.051 0.000 2.065 202 F HA -0.304 4.223 4.527 0.000 0.000 0.298 202 F C 2.255 178.101 175.800 0.076 0.000 1.112 202 F CA 2.289 60.307 58.000 0.030 0.000 1.212 202 F CB 0.028 39.041 39.000 0.021 0.000 0.975 202 F HN 0.694 nan 8.300 nan 0.000 0.476 203 E N -0.064 120.287 120.200 0.251 0.000 2.118 203 E HA -0.247 4.104 4.350 0.001 0.000 0.195 203 E C 2.047 178.654 176.600 0.012 0.000 0.992 203 E CA 1.747 58.237 56.400 0.150 0.000 0.804 203 E CB -0.175 29.617 29.700 0.154 0.000 0.741 203 E HN 0.617 nan 8.360 nan 0.000 0.458 204 E N -0.063 120.133 120.200 -0.006 0.000 2.072 204 E HA -0.211 4.139 4.350 0.001 0.000 0.191 204 E C 2.252 178.796 176.600 -0.092 0.000 0.985 204 E CA 1.412 57.791 56.400 -0.035 0.000 0.801 204 E CB -0.126 29.563 29.700 -0.019 0.000 0.750 204 E HN 0.334 nan 8.360 nan 0.000 0.452 205 R N 0.742 121.146 120.500 -0.160 0.000 2.153 205 R HA 0.148 4.489 4.340 0.001 0.000 0.218 205 R C 2.244 178.245 176.300 -0.498 0.000 1.072 205 R CA 0.911 56.854 56.100 -0.261 0.000 0.990 205 R CB -0.236 29.850 30.300 -0.356 0.000 0.889 205 R HN 0.035 nan 8.270 nan 0.000 0.452 206 A N 1.887 124.472 122.820 -0.392 0.000 1.865 206 A HA -0.244 4.076 4.320 0.001 0.000 0.217 206 A C 2.083 179.575 177.584 -0.154 0.000 1.191 206 A CA 1.824 53.725 52.037 -0.228 0.000 0.623 206 A CB -0.558 18.417 19.000 -0.042 0.000 0.826 206 A HN 0.464 nan 8.150 nan 0.000 0.444 207 E N -0.258 119.881 120.200 -0.102 0.000 2.085 207 E HA -0.148 4.203 4.350 0.001 0.000 0.194 207 E C 1.779 178.322 176.600 -0.095 0.000 0.994 207 E CA 1.397 57.759 56.400 -0.063 0.000 0.801 207 E CB -0.294 29.384 29.700 -0.037 0.000 0.743 207 E HN 0.657 nan 8.360 nan 0.000 0.453 208 I N -0.159 120.333 120.570 -0.130 0.000 2.226 208 I HA -0.277 3.894 4.170 0.001 0.000 0.245 208 I C 2.063 178.062 176.117 -0.195 0.000 1.100 208 I CA 0.764 61.980 61.300 -0.140 0.000 1.374 208 I CB -0.151 37.785 38.000 -0.108 0.000 1.057 208 I HN 0.250 nan 8.210 nan 0.000 0.413 209 M N 0.006 119.426 119.600 -0.301 0.000 2.254 209 M HA -0.079 4.402 4.480 0.001 0.000 0.265 209 M C 2.522 178.743 176.300 -0.131 0.000 1.066 209 M CA 1.555 56.657 55.300 -0.331 0.000 1.123 209 M CB -1.327 30.845 32.600 -0.714 0.000 1.388 209 M HN 0.277 nan 8.290 nan 0.000 0.425 210 A N 1.004 123.780 122.820 -0.074 0.000 1.930 210 A HA -0.209 4.111 4.320 0.001 0.000 0.217 210 A C 2.223 179.797 177.584 -0.018 0.000 1.175 210 A CA 2.109 54.145 52.037 -0.002 0.000 0.627 210 A CB -0.534 18.477 19.000 0.018 0.000 0.815 210 A HN 0.596 nan 8.150 nan 0.000 0.443 211 K N -0.856 119.516 120.400 -0.046 0.000 2.076 211 K HA -0.002 4.319 4.320 0.001 0.000 0.204 211 K C 1.611 178.186 176.600 -0.042 0.000 1.051 211 K CA 1.291 57.553 56.287 -0.042 0.000 0.949 211 K CB -0.309 32.159 32.500 -0.054 0.000 0.726 211 K HN 0.205 nan 8.250 nan 0.000 0.443 212 I N 2.064 122.594 120.570 -0.068 0.000 2.163 212 I HA -0.234 3.937 4.170 0.001 0.000 0.243 212 I C 2.425 178.538 176.117 -0.006 0.000 1.085 212 I CA 1.276 62.551 61.300 -0.041 0.000 1.347 212 I CB -0.822 37.114 38.000 -0.107 0.000 1.044 212 I HN 0.262 nan 8.210 nan 0.000 0.408 213 I N 0.553 121.109 120.570 -0.023 0.000 2.163 213 I HA -0.326 3.844 4.170 0.001 0.000 0.243 213 I C 2.199 178.325 176.117 0.016 0.000 1.085 213 I CA 1.458 62.760 61.300 0.002 0.000 1.347 213 I CB -0.424 37.595 38.000 0.032 0.000 1.044 213 I HN 0.189 nan 8.210 nan 0.000 0.408 214 D N 0.791 121.200 120.400 0.016 0.000 2.116 214 D HA -0.239 4.401 4.640 0.001 0.000 0.193 214 D C 2.083 178.396 176.300 0.022 0.000 0.998 214 D CA 1.335 55.346 54.000 0.018 0.000 0.836 214 D CB -0.225 40.583 40.800 0.012 0.000 0.951 214 D HN 0.260 nan 8.370 nan 0.000 0.449 215 K N 0.508 120.925 120.400 0.028 0.000 2.026 215 K HA -0.105 4.215 4.320 0.001 0.000 0.208 215 K C 2.022 178.671 176.600 0.082 0.000 1.048 215 K CA 0.912 57.231 56.287 0.054 0.000 0.929 215 K CB -0.022 32.514 32.500 0.061 0.000 0.713 215 K HN -0.050 nan 8.250 nan 0.000 0.439 216 V N 1.812 121.771 119.914 0.075 0.000 2.307 216 V HA -0.207 3.914 4.120 0.001 0.000 0.245 216 V C 2.048 178.138 176.094 -0.006 0.000 1.045 216 V CA 1.859 64.166 62.300 0.012 0.000 1.024 216 V CB -0.457 31.328 31.823 -0.062 0.000 0.651 216 V HN 0.392 nan 8.190 nan 0.000 0.449 217 E N 0.289 120.491 120.200 0.004 0.000 2.070 217 E HA -0.277 4.073 4.350 0.001 0.000 0.197 217 E C 2.221 178.828 176.600 0.012 0.000 1.004 217 E CA 1.492 57.897 56.400 0.008 0.000 0.805 217 E CB -0.374 29.337 29.700 0.019 0.000 0.744 217 E HN 0.599 nan 8.360 nan 0.000 0.451 218 N N 0.916 119.627 118.700 0.018 0.000 2.061 218 N HA -0.226 4.515 4.740 0.001 0.000 0.193 218 N C 1.571 177.091 175.510 0.016 0.000 1.030 218 N CA 1.417 54.478 53.050 0.018 0.000 0.856 218 N CB 0.077 38.577 38.487 0.021 0.000 1.023 218 N HN 0.265 nan 8.380 nan 0.000 0.424 219 E N -1.035 119.177 120.200 0.021 0.000 2.216 219 E HA -0.073 4.277 4.350 0.001 0.000 0.192 219 E C 1.639 178.237 176.600 -0.003 0.000 0.988 219 E CA 1.408 57.818 56.400 0.017 0.000 0.834 219 E CB 0.095 29.817 29.700 0.037 0.000 0.772 219 E HN 0.555 nan 8.360 nan 0.000 0.479 220 T N -3.818 110.729 114.554 -0.013 0.000 3.001 220 T HA 0.263 4.614 4.350 0.001 0.000 0.251 220 T C 1.648 176.343 174.700 -0.008 0.000 1.040 220 T CA 0.401 62.489 62.100 -0.020 0.000 0.985 220 T CB 0.715 69.558 68.868 -0.041 0.000 1.011 220 T HN 0.220 nan 8.240 nan 0.000 0.509 221 G N 1.283 110.083 108.800 0.001 0.000 2.196 221 G HA2 -0.274 3.686 3.960 0.001 0.000 0.268 221 G HA3 -0.274 3.686 3.960 0.001 0.000 0.268 221 G C -0.085 174.822 174.900 0.010 0.000 0.975 221 G CA 0.641 45.746 45.100 0.008 0.000 0.648 221 G HN 0.675 nan 8.290 nan 0.000 0.538 222 E N -0.140 120.062 120.200 0.004 0.000 2.280 222 E HA 0.531 4.881 4.350 0.001 0.000 0.261 222 E C 0.054 176.663 176.600 0.015 0.000 1.088 222 E CA -0.811 55.594 56.400 0.009 0.000 0.915 222 E CB 0.633 30.331 29.700 -0.002 0.000 1.141 222 E HN -0.002 nan 8.360 nan 0.000 0.433 223 K N 1.667 122.083 120.400 0.026 0.000 2.138 223 K HA 0.422 4.743 4.320 0.001 0.000 0.263 223 K C -0.394 176.226 176.600 0.033 0.000 0.965 223 K CA -0.615 55.695 56.287 0.039 0.000 0.868 223 K CB 1.235 33.771 32.500 0.059 0.000 1.083 223 K HN 0.270 nan 8.250 nan 0.000 0.443 224 K N 0.585 121.008 120.400 0.038 0.000 2.444 224 K HA 0.569 4.889 4.320 0.001 0.000 0.252 224 K C -0.227 176.421 176.600 0.079 0.000 0.993 224 K CA -0.703 55.602 56.287 0.030 0.000 0.847 224 K CB 2.271 34.765 32.500 -0.010 0.000 1.340 224 K HN 0.655 nan 8.250 nan 0.000 0.446 225 T N -0.677 113.928 114.554 0.086 0.000 2.671 225 T HA 0.626 4.976 4.350 0.001 0.000 0.300 225 T C -2.107 172.692 174.700 0.165 0.000 1.238 225 T CA -0.564 61.636 62.100 0.167 0.000 1.020 225 T CB 0.892 69.923 68.868 0.271 0.000 1.503 225 T HN 0.547 nan 8.240 nan 0.000 0.497 226 W N 2.680 123.983 121.300 0.006 0.000 3.036 226 W HA 0.621 5.281 4.660 0.001 0.000 0.337 226 W C -2.235 174.364 176.519 0.135 0.000 1.055 226 W CA -1.775 55.551 57.345 -0.033 0.000 1.248 226 W CB 0.708 30.188 29.460 0.034 0.000 1.335 226 W HN 0.404 nan 8.180 nan 0.000 0.446 227 F N 5.883 125.603 119.950 -0.383 0.000 2.464 227 F HA 0.496 5.023 4.527 0.001 0.000 0.353 227 F C 0.943 176.238 175.800 -0.842 0.000 1.191 227 F CA -1.323 56.343 58.000 -0.557 0.000 1.147 227 F CB -0.589 38.088 39.000 -0.538 0.000 1.294 227 F HN 0.457 nan 8.300 nan 0.000 0.583 228 A N 3.164 125.379 122.820 -1.010 0.000 2.302 228 A HA 0.281 4.602 4.320 0.001 0.000 0.295 228 A C 0.416 177.840 177.584 -0.267 0.000 1.235 228 A CA -0.586 50.711 52.037 -1.234 0.000 0.876 228 A CB -0.107 17.808 19.000 -1.809 0.000 1.133 228 A HN 0.557 nan 8.150 nan 0.000 0.533 229 N N 2.754 121.432 118.700 -0.037 0.000 2.399 229 N HA 0.129 4.869 4.740 0.001 0.000 0.259 229 N C 0.759 176.328 175.510 0.099 0.000 1.160 229 N CA -0.359 52.715 53.050 0.040 0.000 0.946 229 N CB 0.254 38.750 38.487 0.014 0.000 1.156 229 N HN 0.632 nan 8.380 nan 0.000 0.489 230 I N -0.198 120.337 120.570 -0.059 0.000 3.793 230 I HA 0.193 4.363 4.170 0.001 0.000 0.315 230 I C -0.016 175.974 176.117 -0.210 0.000 1.275 230 I CA -0.224 60.909 61.300 -0.279 0.000 1.214 230 I CB -0.375 37.465 38.000 -0.265 0.000 1.018 230 I HN 0.111 nan 8.210 nan 0.000 0.439 231 T N 3.486 117.964 114.554 -0.128 0.000 2.849 231 T HA 0.401 4.752 4.350 0.001 0.000 0.289 231 T C 0.190 174.826 174.700 -0.107 0.000 1.010 231 T CA 0.788 62.822 62.100 -0.109 0.000 1.161 231 T CB 0.373 69.184 68.868 -0.095 0.000 0.989 231 T HN 0.719 nan 8.240 nan 0.000 0.523 232 A N 3.518 126.283 122.820 -0.092 0.000 2.375 232 A HA 0.476 4.797 4.320 0.001 0.000 0.299 232 A C -1.303 176.248 177.584 -0.055 0.000 1.044 232 A CA -0.982 51.008 52.037 -0.078 0.000 0.585 232 A CB 0.432 19.369 19.000 -0.104 0.000 1.438 232 A HN 0.629 nan 8.150 nan 0.000 0.574 233 D N 0.503 120.878 120.400 -0.042 0.000 2.368 233 D HA 0.192 4.832 4.640 0.001 0.000 0.240 233 D C 1.517 177.805 176.300 -0.019 0.000 1.169 233 D CA -0.220 53.766 54.000 -0.025 0.000 0.906 233 D CB 0.889 41.678 40.800 -0.018 0.000 1.187 233 D HN 0.496 nan 8.370 nan 0.000 0.435 234 L N 1.023 122.246 121.223 -0.000 0.000 1.976 234 L HA -0.286 4.054 4.340 0.001 0.000 0.223 234 L C 2.199 179.089 176.870 0.033 0.000 1.081 234 L CA 1.520 56.377 54.840 0.028 0.000 0.784 234 L CB -0.197 41.877 42.059 0.024 0.000 0.896 234 L HN 0.371 nan 8.230 nan 0.000 0.438 235 L N -0.240 120.993 121.223 0.017 0.000 2.042 235 L HA -0.241 4.099 4.340 0.001 0.000 0.210 235 L C 2.493 179.361 176.870 -0.003 0.000 1.076 235 L CA 1.677 56.529 54.840 0.019 0.000 0.749 235 L CB -1.196 40.868 42.059 0.008 0.000 0.893 235 L HN 0.262 nan 8.230 nan 0.000 0.432 236 E N -1.305 118.876 120.200 -0.031 0.000 2.106 236 E HA -0.140 4.210 4.350 0.001 0.000 0.192 236 E C 2.332 178.859 176.600 -0.122 0.000 0.984 236 E CA 0.909 57.265 56.400 -0.074 0.000 0.806 236 E CB -0.233 29.417 29.700 -0.084 0.000 0.750 236 E HN 0.368 nan 8.360 nan 0.000 0.458 237 M N 0.106 119.650 119.600 -0.093 0.000 2.159 237 M HA -0.181 4.299 4.480 0.001 0.000 0.263 237 M C 1.954 178.210 176.300 -0.073 0.000 1.063 237 M CA 1.417 56.650 55.300 -0.112 0.000 1.110 237 M CB -0.264 32.301 32.600 -0.059 0.000 1.374 237 M HN 0.130 nan 8.290 nan 0.000 0.411 238 E N 0.104 120.306 120.200 0.003 0.000 2.077 238 E HA -0.235 4.115 4.350 0.001 0.000 0.193 238 E C 2.050 178.664 176.600 0.024 0.000 0.989 238 E CA 1.264 57.699 56.400 0.059 0.000 0.800 238 E CB -0.125 29.646 29.700 0.117 0.000 0.746 238 E HN 0.605 nan 8.360 nan 0.000 0.452 239 Q N 0.245 120.032 119.800 -0.022 0.000 2.084 239 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 239 Q C 2.217 178.166 176.000 -0.085 0.000 0.978 239 Q CA 1.119 56.902 55.803 -0.034 0.000 0.844 239 Q CB -0.105 28.610 28.738 -0.038 0.000 0.898 239 Q HN 0.139 nan 8.270 nan 0.000 0.426 240 R N 0.367 120.740 120.500 -0.211 0.000 2.092 240 R HA -0.069 4.272 4.340 0.001 0.000 0.231 240 R C 2.281 178.495 176.300 -0.142 0.000 1.119 240 R CA 0.918 56.788 56.100 -0.384 0.000 0.970 240 R CB -0.254 29.398 30.300 -1.080 0.000 0.864 240 R HN 0.203 nan 8.270 nan 0.000 0.440 241 L N 0.487 121.635 121.223 -0.126 0.000 2.079 241 L HA -0.218 4.123 4.340 0.001 0.000 0.210 241 L C 2.582 179.253 176.870 -0.331 0.000 1.081 241 L CA 1.495 56.276 54.840 -0.097 0.000 0.752 241 L CB -0.353 41.743 42.059 0.061 0.000 0.896 241 L HN 0.313 nan 8.230 nan 0.000 0.433 242 E N -0.126 119.905 120.200 -0.282 0.000 2.107 242 E HA -0.165 4.186 4.350 0.001 0.000 0.191 242 E C 2.239 178.707 176.600 -0.220 0.000 0.982 242 E CA 1.018 57.174 56.400 -0.406 0.000 0.809 242 E CB 0.177 29.811 29.700 -0.109 0.000 0.756 242 E HN 0.230 nan 8.360 nan 0.000 0.459 243 V N 1.598 121.483 119.914 -0.048 0.000 2.287 243 V HA -0.304 3.816 4.120 0.001 0.000 0.248 243 V C 2.489 178.624 176.094 0.068 0.000 1.053 243 V CA 1.709 64.051 62.300 0.070 0.000 1.027 243 V CB -0.507 31.462 31.823 0.244 0.000 0.646 243 V HN 0.363 nan 8.190 nan 0.000 0.447 244 L N -0.094 121.178 121.223 0.082 0.000 2.012 244 L HA -0.200 4.140 4.340 0.001 0.000 0.210 244 L C 2.726 179.575 176.870 -0.034 0.000 1.073 244 L CA 1.775 56.653 54.840 0.063 0.000 0.748 244 L CB -0.858 41.237 42.059 0.059 0.000 0.891 244 L HN 0.381 nan 8.230 nan 0.000 0.431 245 A N -0.271 122.429 122.820 -0.200 0.000 1.873 245 A HA -0.210 4.111 4.320 0.001 0.000 0.215 245 A C 1.913 179.446 177.584 -0.084 0.000 1.186 245 A CA 1.803 53.718 52.037 -0.202 0.000 0.616 245 A CB -0.531 18.139 19.000 -0.550 0.000 0.823 245 A HN 0.342 nan 8.150 nan 0.000 0.442 246 D N -0.089 120.256 120.400 -0.091 0.000 2.221 246 D HA -0.097 4.543 4.640 0.001 0.000 0.204 246 D C 1.490 177.796 176.300 0.010 0.000 0.982 246 D CA 0.929 54.916 54.000 -0.020 0.000 0.857 246 D CB -0.192 40.601 40.800 -0.012 0.000 0.934 246 D HN 0.446 nan 8.370 nan 0.000 0.475 247 L N -0.739 120.496 121.223 0.020 0.000 2.592 247 L HA 0.195 4.536 4.340 0.001 0.000 0.227 247 L C 1.298 178.196 176.870 0.047 0.000 1.127 247 L CA 0.137 55.000 54.840 0.040 0.000 0.884 247 L CB 0.088 42.184 42.059 0.061 0.000 1.065 247 L HN 0.065 nan 8.230 nan 0.000 0.457 248 G N 0.785 109.610 108.800 0.041 0.000 2.179 248 G HA2 -0.289 3.671 3.960 0.001 0.000 0.257 248 G HA3 -0.289 3.671 3.960 0.001 0.000 0.257 248 G C 0.254 175.193 174.900 0.066 0.000 1.010 248 G CA 0.145 45.275 45.100 0.051 0.000 0.736 248 G HN 0.256 nan 8.290 nan 0.000 0.513 249 L N -1.539 119.732 121.223 0.079 0.000 2.479 249 L HA 0.499 4.839 4.340 0.001 0.000 0.248 249 L C 1.736 178.644 176.870 0.063 0.000 1.205 249 L CA -0.152 54.755 54.840 0.112 0.000 0.817 249 L CB 0.579 42.749 42.059 0.184 0.000 1.162 249 L HN 0.089 nan 8.230 nan 0.000 0.486 250 K N -1.399 119.039 120.400 0.063 0.000 2.435 250 K HA 0.219 4.539 4.320 0.001 0.000 0.199 250 K C -0.459 175.969 176.600 -0.287 0.000 1.153 250 K CA -0.063 56.178 56.287 -0.076 0.000 0.974 250 K CB 0.684 33.168 32.500 -0.027 0.000 0.997 250 K HN 0.455 nan 8.250 nan 0.000 0.547 251 H N -0.626 118.399 119.070 -0.075 0.000 2.747 251 H HA 0.578 5.134 4.556 0.001 0.000 0.371 251 H C -1.377 173.858 175.328 -0.154 0.000 1.161 251 H CA -0.731 55.234 56.048 -0.138 0.000 1.167 251 H CB 2.154 31.881 29.762 -0.057 0.000 1.732 251 H HN 0.098 nan 8.280 nan 0.000 0.544 252 A N 2.814 125.609 122.820 -0.041 0.000 2.356 252 A HA 0.502 4.822 4.320 0.001 0.000 0.310 252 A C -0.757 176.777 177.584 -0.082 0.000 1.075 252 A CA -0.777 51.215 52.037 -0.074 0.000 0.746 252 A CB 0.946 19.915 19.000 -0.052 0.000 1.221 252 A HN 0.726 nan 8.150 nan 0.000 0.443 253 M N 3.455 123.002 119.600 -0.089 0.000 2.264 253 M HA 0.697 5.178 4.480 0.001 0.000 0.352 253 M C -1.758 174.500 176.300 -0.071 0.000 1.173 253 M CA -0.313 54.959 55.300 -0.047 0.000 1.075 253 M CB 1.148 33.758 32.600 0.015 0.000 1.621 253 M HN 0.392 nan 8.290 nan 0.000 0.457 254 V N 3.486 123.341 119.914 -0.099 0.000 2.638 254 V HA 0.304 4.425 4.120 0.001 0.000 0.306 254 V C -1.150 174.859 176.094 -0.142 0.000 1.052 254 V CA -0.917 61.309 62.300 -0.124 0.000 0.885 254 V CB 2.096 33.833 31.823 -0.145 0.000 0.999 254 V HN 0.770 nan 8.190 nan 0.000 0.424 255 D N 3.130 123.455 120.400 -0.125 0.000 2.416 255 D HA 0.133 4.774 4.640 0.001 0.000 0.240 255 D C 1.284 177.482 176.300 -0.171 0.000 1.250 255 D CA 0.050 53.981 54.000 -0.116 0.000 0.967 255 D CB 1.435 42.176 40.800 -0.098 0.000 1.059 255 D HN 0.485 nan 8.370 nan 0.000 0.512 256 V N 0.570 120.314 119.914 -0.284 0.000 2.515 256 V HA -0.193 3.927 4.120 0.001 0.000 0.250 256 V C 1.863 177.749 176.094 -0.347 0.000 1.058 256 V CA 0.893 62.937 62.300 -0.426 0.000 1.064 256 V CB -0.612 30.685 31.823 -0.877 0.000 0.675 256 V HN 0.279 nan 8.190 nan 0.000 0.461 257 V N 0.371 120.157 119.914 -0.213 0.000 2.379 257 V HA -0.101 4.020 4.120 0.001 0.000 0.245 257 V C 2.473 178.529 176.094 -0.063 0.000 1.044 257 V CA 2.225 64.486 62.300 -0.066 0.000 1.036 257 V CB -0.406 31.475 31.823 0.097 0.000 0.664 257 V HN 0.446 nan 8.190 nan 0.000 0.453 258 I N -0.080 120.457 120.570 -0.055 0.000 2.252 258 I HA -0.199 3.971 4.170 0.001 0.000 0.245 258 I C 2.542 178.619 176.117 -0.065 0.000 1.102 258 I CA 1.642 62.919 61.300 -0.038 0.000 1.385 258 I CB -0.643 37.337 38.000 -0.033 0.000 1.064 258 I HN 0.268 nan 8.210 nan 0.000 0.414 259 T N 0.442 114.936 114.554 -0.099 0.000 2.759 259 T HA 0.006 4.356 4.350 0.001 0.000 0.269 259 T C 0.957 175.604 174.700 -0.089 0.000 1.042 259 T CA 1.210 63.258 62.100 -0.088 0.000 1.140 259 T CB -0.573 68.233 68.868 -0.103 0.000 0.864 259 T HN 0.692 nan 8.240 nan 0.000 0.455 260 G N -0.518 108.175 108.800 -0.177 0.000 2.746 260 G HA2 -0.170 3.790 3.960 0.001 0.000 0.685 260 G HA3 -0.170 3.790 3.960 0.001 0.000 0.685 260 G C 0.191 174.986 174.900 -0.175 0.000 1.350 260 G CA -0.254 44.712 45.100 -0.223 0.000 0.837 260 G HN 0.404 nan 8.290 nan 0.000 0.564 261 W N 0.559 121.924 121.300 0.108 0.000 2.467 261 W HA 0.207 4.867 4.660 0.001 0.000 0.275 261 W C 2.532 179.104 176.519 0.089 0.000 1.239 261 W CA 0.967 58.377 57.345 0.109 0.000 1.266 261 W CB -0.137 29.370 29.460 0.079 0.000 1.112 261 W HN 0.928 nan 8.180 nan 0.000 0.576 262 G N 0.389 109.338 108.800 0.248 0.000 2.432 262 G HA2 -0.081 3.879 3.960 0.001 0.000 0.219 262 G HA3 -0.081 3.879 3.960 0.001 0.000 0.219 262 G C 1.513 176.492 174.900 0.132 0.000 1.135 262 G CA 1.280 46.477 45.100 0.162 0.000 0.767 262 G HN 0.314 nan 8.290 nan 0.000 0.550 263 A N -0.801 122.096 122.820 0.128 0.000 2.390 263 A HA 0.500 4.820 4.320 0.001 0.000 0.225 263 A C 2.024 179.708 177.584 0.166 0.000 1.232 263 A CA -0.170 51.950 52.037 0.138 0.000 0.964 263 A CB 0.042 19.104 19.000 0.102 0.000 1.064 263 A HN 0.227 nan 8.150 nan 0.000 0.525 264 L N -0.189 121.118 121.223 0.139 0.000 2.042 264 L HA -0.199 4.141 4.340 0.001 0.000 0.210 264 L C 2.721 179.678 176.870 0.145 0.000 1.076 264 L CA 2.055 56.965 54.840 0.116 0.000 0.749 264 L CB -0.250 41.885 42.059 0.127 0.000 0.893 264 L HN 0.563 nan 8.230 nan 0.000 0.432 265 R N -1.168 119.447 120.500 0.192 0.000 2.115 265 R HA -0.247 4.093 4.340 0.001 0.000 0.230 265 R C 2.368 178.753 176.300 0.141 0.000 1.111 265 R CA 1.480 57.683 56.100 0.171 0.000 0.976 265 R CB -0.414 29.989 30.300 0.172 0.000 0.870 265 R HN 0.316 nan 8.270 nan 0.000 0.445 266 Y N 0.593 120.921 120.300 0.047 0.000 2.200 266 Y HA -0.133 4.417 4.550 0.001 0.000 0.290 266 Y C 1.754 177.664 175.900 0.017 0.000 1.137 266 Y CA 1.246 59.359 58.100 0.022 0.000 1.163 266 Y CB 0.003 38.474 38.460 0.018 0.000 0.988 266 Y HN 0.009 nan 8.280 nan 0.000 0.518 267 I N 0.763 121.309 120.570 -0.040 0.000 2.226 267 I HA -0.263 3.907 4.170 0.001 0.000 0.245 267 I C 2.629 178.673 176.117 -0.120 0.000 1.100 267 I CA 1.447 62.675 61.300 -0.120 0.000 1.374 267 I CB -1.247 36.745 38.000 -0.014 0.000 1.057 267 I HN 0.285 nan 8.210 nan 0.000 0.413 268 R N 1.344 121.816 120.500 -0.047 0.000 2.073 268 R HA -0.197 4.143 4.340 0.001 0.000 0.234 268 R C 1.643 177.913 176.300 -0.050 0.000 1.134 268 R CA 1.911 57.999 56.100 -0.019 0.000 0.952 268 R CB -0.414 29.911 30.300 0.043 0.000 0.850 268 R HN 0.299 nan 8.270 nan 0.000 0.433 269 D N 0.847 121.195 120.400 -0.087 0.000 2.117 269 D HA -0.148 4.492 4.640 0.001 0.000 0.198 269 D C 1.891 178.072 176.300 -0.198 0.000 0.982 269 D CA 0.666 54.600 54.000 -0.110 0.000 0.828 269 D CB -0.266 40.483 40.800 -0.086 0.000 0.967 269 D HN 0.126 nan 8.370 nan 0.000 0.464 270 L N 1.193 122.216 121.223 -0.333 0.000 1.994 270 L HA -0.095 4.246 4.340 0.001 0.000 0.208 270 L C 2.200 178.945 176.870 -0.208 0.000 1.071 270 L CA 1.843 56.452 54.840 -0.386 0.000 0.745 270 L CB -1.145 40.623 42.059 -0.484 0.000 0.892 270 L HN -0.010 nan 8.230 nan 0.000 0.431 271 A N -0.694 122.089 122.820 -0.062 0.000 1.908 271 A HA -0.188 4.132 4.320 0.001 0.000 0.218 271 A C 2.439 180.067 177.584 0.073 0.000 1.181 271 A CA 2.184 54.261 52.037 0.067 0.000 0.627 271 A CB -1.197 17.819 19.000 0.026 0.000 0.818 271 A HN 0.577 nan 8.150 nan 0.000 0.445 272 A N -0.192 122.639 122.820 0.019 0.000 1.902 272 A HA -0.187 4.133 4.320 0.001 0.000 0.217 272 A C 1.768 179.355 177.584 0.005 0.000 1.181 272 A CA 2.013 54.076 52.037 0.043 0.000 0.623 272 A CB -0.619 18.384 19.000 0.004 0.000 0.818 272 A HN 0.456 nan 8.150 nan 0.000 0.443 273 D N -1.516 118.828 120.400 -0.094 0.000 2.144 273 D HA -0.100 4.541 4.640 0.001 0.000 0.200 273 D C 1.266 177.512 176.300 -0.091 0.000 0.978 273 D CA 1.074 54.987 54.000 -0.145 0.000 0.833 273 D CB -0.340 40.291 40.800 -0.282 0.000 0.961 273 D HN 0.555 nan 8.370 nan 0.000 0.470 274 Y N 0.081 120.385 120.300 0.007 0.000 2.616 274 Y HA 0.201 4.752 4.550 0.001 0.000 0.296 274 Y C 1.797 177.729 175.900 0.054 0.000 1.154 274 Y CA 0.541 58.654 58.100 0.022 0.000 1.325 274 Y CB -0.221 38.245 38.460 0.010 0.000 1.007 274 Y HN 0.014 nan 8.280 nan 0.000 0.542 275 G N 0.598 109.528 108.800 0.217 0.000 2.198 275 G HA2 -0.273 3.687 3.960 0.001 0.000 0.257 275 G HA3 -0.273 3.687 3.960 0.001 0.000 0.257 275 G C -0.330 174.749 174.900 0.297 0.000 1.042 275 G CA 0.022 45.284 45.100 0.270 0.000 0.791 275 G HN 0.276 nan 8.290 nan 0.000 0.502 276 L N 0.157 121.501 121.223 0.201 0.000 2.307 276 L HA 0.775 5.116 4.340 0.001 0.000 0.284 276 L C 0.863 177.624 176.870 -0.182 0.000 1.023 276 L CA -0.651 54.164 54.840 -0.041 0.000 0.810 276 L CB 1.872 43.929 42.059 -0.002 0.000 1.231 276 L HN 0.319 nan 8.230 nan 0.000 0.423 277 A N 4.330 126.721 122.820 -0.715 0.000 2.371 277 A HA 0.647 4.967 4.320 0.001 0.000 0.257 277 A C -0.352 177.044 177.584 -0.314 0.000 1.089 277 A CA -0.246 51.369 52.037 -0.704 0.000 0.794 277 A CB 0.139 18.396 19.000 -1.239 0.000 1.029 277 A HN 0.645 nan 8.150 nan 0.000 0.488 278 I N 1.662 122.149 120.570 -0.137 0.000 2.339 278 I HA 0.207 4.377 4.170 0.001 0.000 0.290 278 I C -0.166 175.876 176.117 -0.125 0.000 0.994 278 I CA -0.291 60.949 61.300 -0.100 0.000 1.191 278 I CB 1.293 39.249 38.000 -0.074 0.000 1.343 278 I HN 0.785 nan 8.210 nan 0.000 0.458 279 H N 5.011 123.909 119.070 -0.286 0.000 2.552 279 H HA 0.570 5.127 4.556 0.001 0.000 0.311 279 H C 0.019 175.197 175.328 -0.250 0.000 1.071 279 H CA -0.407 55.394 56.048 -0.412 0.000 1.307 279 H CB 1.221 30.487 29.762 -0.827 0.000 1.416 279 H HN 0.679 nan 8.280 nan 0.000 0.464 280 G N 4.572 112.963 108.800 -0.682 0.000 2.335 280 G HA2 0.168 4.129 3.960 0.001 0.000 0.314 280 G HA3 0.168 4.129 3.960 0.001 0.000 0.314 280 G C -1.154 173.429 174.900 -0.530 0.000 1.129 280 G CA -0.447 44.347 45.100 -0.509 0.000 0.912 280 G HN 0.747 nan 8.290 nan 0.000 0.443 281 H N 2.475 121.268 119.070 -0.461 0.000 2.467 281 H HA 0.255 4.811 4.556 0.001 0.000 0.326 281 H C 0.805 175.911 175.328 -0.370 0.000 1.094 281 H CA -0.618 55.144 56.048 -0.476 0.000 1.253 281 H CB 1.477 31.036 29.762 -0.339 0.000 1.439 281 H HN 0.655 nan 8.280 nan 0.000 0.479 282 R N 3.042 123.234 120.500 -0.514 0.000 2.426 282 R HA 0.403 4.744 4.340 0.001 0.000 0.263 282 R C 0.306 176.638 176.300 0.053 0.000 0.961 282 R CA -0.360 55.608 56.100 -0.220 0.000 1.086 282 R CB 0.107 30.207 30.300 -0.333 0.000 1.186 282 R HN 0.360 nan 8.270 nan 0.000 0.537 283 A N 1.760 124.715 122.820 0.225 0.000 2.591 283 A HA 0.050 4.370 4.320 0.001 0.000 0.244 283 A C 0.932 178.569 177.584 0.087 0.000 1.031 283 A CA 1.146 53.312 52.037 0.215 0.000 0.767 283 A CB -0.224 18.884 19.000 0.181 0.000 0.942 283 A HN 0.862 nan 8.150 nan 0.000 0.514 284 M N 0.513 120.119 119.600 0.009 0.000 3.053 284 M HA -0.297 4.183 4.480 0.001 0.000 0.222 284 M C 1.103 177.277 176.300 -0.209 0.000 0.556 284 M CA 1.937 57.208 55.300 -0.049 0.000 0.851 284 M CB -2.012 30.614 32.600 0.043 0.000 3.027 284 M HN 1.278 nan 8.290 nan 0.000 0.301 285 H N 0.074 118.988 119.070 -0.260 0.000 2.357 285 H HA 0.102 4.658 4.556 0.001 0.000 0.296 285 H C 1.671 176.517 175.328 -0.803 0.000 1.108 285 H CA 2.365 58.028 56.048 -0.641 0.000 1.273 285 H CB -0.822 28.724 29.762 -0.359 0.000 1.367 285 H HN 0.540 nan 8.280 nan 0.000 0.498 286 A N 1.051 123.059 122.820 -1.353 0.000 2.178 286 A HA 0.114 4.434 4.320 0.001 0.000 0.218 286 A C 2.544 179.866 177.584 -0.436 0.000 1.157 286 A CA 1.035 52.550 52.037 -0.870 0.000 0.689 286 A CB -1.098 17.462 19.000 -0.733 0.000 0.787 286 A HN 0.757 nan 8.150 nan 0.000 0.465 287 A N -0.740 121.857 122.820 -0.372 0.000 2.121 287 A HA 0.165 4.485 4.320 0.001 0.000 0.218 287 A C 1.433 179.028 177.584 0.019 0.000 1.154 287 A CA 1.434 53.407 52.037 -0.105 0.000 0.679 287 A CB -0.563 18.455 19.000 0.029 0.000 0.795 287 A HN 1.190 nan 8.150 nan 0.000 0.458 288 F N -3.597 116.323 119.950 -0.050 0.000 2.915 288 F HA 0.216 4.743 4.527 0.001 0.000 0.347 288 F C 1.303 177.086 175.800 -0.029 0.000 1.104 288 F CA 0.537 58.503 58.000 -0.056 0.000 1.126 288 F CB -0.403 38.535 39.000 -0.103 0.000 1.145 288 F HN 0.012 nan 8.300 nan 0.000 0.541 289 T N -2.736 111.674 114.554 -0.240 0.000 3.040 289 T HA 0.194 4.545 4.350 0.001 0.000 0.250 289 T C 1.720 176.410 174.700 -0.016 0.000 1.058 289 T CA 0.454 62.528 62.100 -0.044 0.000 0.988 289 T CB -0.037 68.840 68.868 0.014 0.000 0.993 289 T HN 0.370 nan 8.240 nan 0.000 0.519 290 R N 1.482 121.949 120.500 -0.056 0.000 2.100 290 R HA 0.142 4.482 4.340 0.001 0.000 0.220 290 R C 0.678 176.978 176.300 -0.001 0.000 1.091 290 R CA 0.378 56.458 56.100 -0.033 0.000 0.986 290 R CB -0.106 30.157 30.300 -0.062 0.000 0.888 290 R HN 0.243 nan 8.270 nan 0.000 0.444 291 N N 1.616 120.338 118.700 0.037 0.000 2.405 291 N HA 0.030 4.770 4.740 0.001 0.000 0.260 291 N C -1.958 173.580 175.510 0.047 0.000 1.152 291 N CA -1.922 51.175 53.050 0.079 0.000 0.948 291 N CB 1.595 40.177 38.487 0.158 0.000 1.111 291 N HN 0.072 nan 8.380 nan 0.000 0.485 292 P HA -0.076 nan 4.420 nan 0.000 0.228 292 P C 0.083 177.233 177.300 -0.250 0.000 1.151 292 P CA 1.138 64.102 63.100 -0.228 0.000 0.770 292 P CB 0.055 31.517 31.700 -0.396 0.000 0.786 293 Y N -2.200 118.184 120.300 0.140 0.000 2.444 293 Y HA 0.288 4.838 4.550 0.001 0.000 0.249 293 Y C 0.674 176.740 175.900 0.278 0.000 1.134 293 Y CA -0.150 58.062 58.100 0.187 0.000 1.261 293 Y CB 0.114 38.668 38.460 0.157 0.000 1.143 293 Y HN 0.026 nan 8.280 nan 0.000 0.523 294 H N -0.811 118.411 119.070 0.252 0.000 3.099 294 H HA 0.562 5.119 4.556 0.001 0.000 0.342 294 H C 0.017 175.438 175.328 0.154 0.000 1.054 294 H CA -0.164 56.023 56.048 0.230 0.000 1.328 294 H CB 1.091 30.970 29.762 0.196 0.000 1.876 294 H HN 0.254 nan 8.280 nan 0.000 0.495 295 G N 2.727 111.355 108.800 -0.288 0.000 2.236 295 G HA2 0.003 3.963 3.960 0.001 0.000 0.231 295 G HA3 0.003 3.963 3.960 0.001 0.000 0.231 295 G C -1.528 173.332 174.900 -0.066 0.000 1.334 295 G CA -0.350 44.541 45.100 -0.347 0.000 1.137 295 G HN 0.623 nan 8.290 nan 0.000 0.482 296 I N 1.241 121.878 120.570 0.112 0.000 2.436 296 I HA 0.517 4.687 4.170 0.001 0.000 0.289 296 I C 0.646 176.912 176.117 0.248 0.000 1.010 296 I CA -0.692 60.751 61.300 0.238 0.000 1.098 296 I CB 1.981 40.139 38.000 0.262 0.000 1.266 296 I HN 0.608 nan 8.210 nan 0.000 0.434 297 S N 4.562 120.369 115.700 0.178 0.000 2.576 297 S HA 0.110 4.581 4.470 0.001 0.000 0.276 297 S C 0.954 175.646 174.600 0.153 0.000 1.339 297 S CA -0.432 57.850 58.200 0.137 0.000 1.039 297 S CB 0.823 64.091 63.200 0.113 0.000 0.902 297 S HN 0.647 nan 8.310 nan 0.000 0.516 298 M N 4.685 124.351 119.600 0.110 0.000 2.374 298 M HA 0.072 4.552 4.480 0.001 0.000 0.264 298 M C 1.173 177.504 176.300 0.050 0.000 1.067 298 M CA 1.435 56.771 55.300 0.061 0.000 1.103 298 M CB -0.884 31.709 32.600 -0.013 0.000 1.402 298 M HN 0.840 nan 8.290 nan 0.000 0.444 299 F N -0.663 119.246 119.950 -0.067 0.000 2.134 299 F HA -0.184 4.344 4.527 0.001 0.000 0.299 299 F C 1.788 177.511 175.800 -0.129 0.000 1.097 299 F CA 1.699 59.621 58.000 -0.130 0.000 1.264 299 F CB -0.313 38.601 39.000 -0.144 0.000 1.001 299 F HN -0.026 nan 8.300 nan 0.000 0.479 300 V N 0.056 120.040 119.914 0.116 0.000 2.261 300 V HA -0.302 3.818 4.120 0.001 0.000 0.246 300 V C 2.358 178.370 176.094 -0.136 0.000 1.047 300 V CA 1.536 63.815 62.300 -0.034 0.000 1.015 300 V CB -0.809 31.019 31.823 0.008 0.000 0.642 300 V HN 0.256 nan 8.190 nan 0.000 0.446 301 L N 0.569 121.765 121.223 -0.045 0.000 2.013 301 L HA -0.209 4.131 4.340 0.001 0.000 0.212 301 L C 2.638 179.396 176.870 -0.185 0.000 1.073 301 L CA 2.429 57.199 54.840 -0.116 0.000 0.753 301 L CB -1.494 40.620 42.059 0.093 0.000 0.890 301 L HN 0.322 nan 8.230 nan 0.000 0.432 302 A N -0.806 121.936 122.820 -0.130 0.000 1.883 302 A HA -0.294 4.026 4.320 0.001 0.000 0.217 302 A C 2.459 179.909 177.584 -0.224 0.000 1.186 302 A CA 2.175 54.120 52.037 -0.154 0.000 0.624 302 A CB -0.576 18.265 19.000 -0.265 0.000 0.822 302 A HN 0.431 nan 8.150 nan 0.000 0.444 303 K N -0.294 119.900 120.400 -0.343 0.000 2.026 303 K HA -0.094 4.226 4.320 0.001 0.000 0.208 303 K C 1.948 178.401 176.600 -0.244 0.000 1.048 303 K CA 1.523 57.638 56.287 -0.287 0.000 0.929 303 K CB -0.341 31.936 32.500 -0.371 0.000 0.713 303 K HN 0.483 nan 8.250 nan 0.000 0.439 304 L N -0.008 121.036 121.223 -0.299 0.000 2.017 304 L HA -0.192 4.148 4.340 0.001 0.000 0.208 304 L C 2.488 179.297 176.870 -0.101 0.000 1.073 304 L CA 1.202 55.875 54.840 -0.277 0.000 0.745 304 L CB -0.692 41.187 42.059 -0.299 0.000 0.894 304 L HN 0.191 nan 8.230 nan 0.000 0.432 305 Y N 0.034 120.370 120.300 0.059 0.000 2.224 305 Y HA -0.234 4.316 4.550 0.001 0.000 0.289 305 Y C 2.812 178.693 175.900 -0.030 0.000 1.146 305 Y CA 1.150 59.267 58.100 0.029 0.000 1.182 305 Y CB -0.735 37.708 38.460 -0.030 0.000 0.983 305 Y HN 0.120 nan 8.280 nan 0.000 0.524 306 R N 0.461 120.995 120.500 0.056 0.000 2.073 306 R HA -0.164 4.176 4.340 0.001 0.000 0.234 306 R C 2.098 178.395 176.300 -0.004 0.000 1.134 306 R CA 1.597 57.688 56.100 -0.016 0.000 0.952 306 R CB -0.575 29.655 30.300 -0.116 0.000 0.850 306 R HN 0.339 nan 8.270 nan 0.000 0.433 307 L N 0.615 121.787 121.223 -0.086 0.000 2.012 307 L HA -0.232 4.108 4.340 0.001 0.000 0.210 307 L C 2.573 179.440 176.870 -0.005 0.000 1.073 307 L CA 1.497 56.199 54.840 -0.229 0.000 0.748 307 L CB -0.468 41.070 42.059 -0.868 0.000 0.891 307 L HN 0.305 nan 8.230 nan 0.000 0.431 308 I N -0.492 120.135 120.570 0.095 0.000 2.208 308 I HA -0.210 3.960 4.170 0.001 0.000 0.245 308 I C 1.471 177.718 176.117 0.218 0.000 1.097 308 I CA 1.433 62.923 61.300 0.317 0.000 1.363 308 I CB -0.489 37.722 38.000 0.352 0.000 1.051 308 I HN 0.563 nan 8.210 nan 0.000 0.413 309 G N 0.729 109.616 108.800 0.144 0.000 2.157 309 G HA2 -0.103 3.857 3.960 0.001 0.000 0.114 309 G HA3 -0.103 3.857 3.960 0.001 0.000 0.114 309 G C 0.005 174.944 174.900 0.065 0.000 1.041 309 G CA -0.747 44.413 45.100 0.100 0.000 0.714 309 G HN 0.061 nan 8.290 nan 0.000 0.492 310 I N 1.990 122.590 120.570 0.049 0.000 2.581 310 I HA 0.134 4.304 4.170 0.001 0.000 0.285 310 I C 1.053 177.160 176.117 -0.017 0.000 1.129 310 I CA -0.154 61.135 61.300 -0.019 0.000 1.397 310 I CB 0.374 38.327 38.000 -0.078 0.000 1.399 310 I HN 0.150 nan 8.210 nan 0.000 0.537 311 D N 5.064 125.458 120.400 -0.011 0.000 2.224 311 D HA -0.075 4.565 4.640 0.001 0.000 0.205 311 D C 0.351 176.676 176.300 0.040 0.000 0.965 311 D CA 1.152 55.174 54.000 0.036 0.000 0.852 311 D CB 0.546 41.387 40.800 0.068 0.000 0.947 311 D HN 0.623 nan 8.370 nan 0.000 0.494 312 Q N -0.061 119.711 119.800 -0.047 0.000 2.359 312 Q HA 0.610 4.951 4.340 0.001 0.000 0.274 312 Q C -1.489 174.375 176.000 -0.227 0.000 1.074 312 Q CA -0.641 55.128 55.803 -0.057 0.000 0.810 312 Q CB 3.172 31.886 28.738 -0.040 0.000 1.342 312 Q HN -0.062 nan 8.270 nan 0.000 0.427 313 L N 0.903 122.027 121.223 -0.164 0.000 2.526 313 L HA 0.373 4.714 4.340 0.001 0.000 0.263 313 L C -1.351 175.458 176.870 -0.102 0.000 0.943 313 L CA -0.196 54.534 54.840 -0.183 0.000 0.859 313 L CB 1.885 43.866 42.059 -0.130 0.000 1.313 313 L HN 0.702 nan 8.230 nan 0.000 0.406 314 H N 3.708 122.606 119.070 -0.286 0.000 2.848 314 H HA 0.293 4.850 4.556 0.001 0.000 0.341 314 H C 0.515 175.717 175.328 -0.209 0.000 1.060 314 H CA 0.630 56.544 56.048 -0.222 0.000 1.444 314 H CB 1.608 31.189 29.762 -0.302 0.000 1.446 314 H HN 0.618 nan 8.280 nan 0.000 0.583 315 V N -0.132 119.737 119.914 -0.074 0.000 3.398 315 V HA 0.444 4.564 4.120 0.001 0.000 0.298 315 V C 0.824 176.876 176.094 -0.071 0.000 1.496 315 V CA 0.343 62.589 62.300 -0.089 0.000 1.044 315 V CB 0.400 32.178 31.823 -0.074 0.000 0.880 315 V HN 1.084 nan 8.190 nan 0.000 0.443 316 G N 1.379 110.149 108.800 -0.051 0.000 2.525 316 G HA2 0.093 4.053 3.960 0.001 0.000 0.685 316 G HA3 0.093 4.053 3.960 0.001 0.000 0.685 316 G C 0.035 174.920 174.900 -0.025 0.000 1.290 316 G CA 0.238 45.324 45.100 -0.024 0.000 0.915 316 G HN 1.377 nan 8.290 nan 0.000 0.548 317 T N -2.917 111.628 114.554 -0.017 0.000 3.355 317 T HA 0.689 5.040 4.350 0.001 0.000 0.276 317 T C 1.246 175.933 174.700 -0.021 0.000 1.003 317 T CA 1.412 63.497 62.100 -0.025 0.000 0.943 317 T CB 0.394 69.244 68.868 -0.031 0.000 1.158 317 T HN 2.639 nan 8.240 nan 0.000 0.513 318 A N 0.249 123.061 122.820 -0.014 0.000 2.715 318 A HA 0.094 4.414 4.320 0.001 0.000 0.301 318 A C 1.936 179.515 177.584 -0.007 0.000 1.515 318 A CA 1.135 53.168 52.037 -0.008 0.000 0.816 318 A CB -2.113 16.883 19.000 -0.008 0.000 1.004 318 A HN 2.321 nan 8.150 nan 0.000 0.483 319 G N -3.213 105.584 108.800 -0.006 0.000 2.195 319 G HA2 0.069 4.030 3.960 0.001 0.000 0.246 319 G HA3 0.069 4.030 3.960 0.001 0.000 0.246 319 G C 1.319 176.215 174.900 -0.006 0.000 0.984 319 G CA 1.235 46.334 45.100 -0.003 0.000 0.633 319 G HN 2.273 nan 8.290 nan 0.000 0.525 320 A N 0.091 122.899 122.820 -0.020 0.000 2.081 320 A HA 0.649 4.969 4.320 0.001 0.000 0.214 320 A C 1.671 179.228 177.584 -0.045 0.000 1.158 320 A CA 1.964 53.980 52.037 -0.035 0.000 0.724 320 A CB -0.140 18.823 19.000 -0.062 0.000 0.826 320 A HN 1.742 nan 8.150 nan 0.000 0.463 321 G N -0.784 107.996 108.800 -0.034 0.000 2.887 321 G HA2 0.418 4.379 3.960 0.001 0.000 0.277 321 G HA3 0.418 4.379 3.960 0.001 0.000 0.277 321 G C 0.599 175.496 174.900 -0.005 0.000 1.346 321 G CA 0.088 45.169 45.100 -0.032 0.000 1.058 321 G HN 0.272 nan 8.290 nan 0.000 0.535 322 K N -1.260 119.141 120.400 0.001 0.000 2.432 322 K HA 0.127 4.448 4.320 0.001 0.000 0.196 322 K C 0.039 176.650 176.600 0.017 0.000 1.038 322 K CA 0.257 56.551 56.287 0.013 0.000 0.986 322 K CB -0.089 32.420 32.500 0.015 0.000 0.782 322 K HN 0.067 nan 8.250 nan 0.000 0.485 323 L N 2.255 123.490 121.223 0.020 0.000 2.325 323 L HA 0.300 4.641 4.340 0.001 0.000 0.278 323 L C 0.227 177.110 176.870 0.022 0.000 1.023 323 L CA -0.837 54.018 54.840 0.026 0.000 0.811 323 L CB 1.305 43.392 42.059 0.046 0.000 1.249 323 L HN 0.169 nan 8.230 nan 0.000 0.431 324 E N 1.585 121.796 120.200 0.018 0.000 2.384 324 E HA 0.429 4.780 4.350 0.001 0.000 0.266 324 E C -0.252 176.361 176.600 0.023 0.000 1.012 324 E CA 0.214 56.623 56.400 0.015 0.000 0.901 324 E CB 1.028 30.730 29.700 0.005 0.000 0.967 324 E HN 0.737 nan 8.360 nan 0.000 0.435 325 G N 2.064 110.872 108.800 0.013 0.000 1.873 325 G HA2 0.335 4.296 3.960 0.001 0.000 0.199 325 G HA3 0.335 4.296 3.960 0.001 0.000 0.199 325 G C -0.324 174.577 174.900 0.002 0.000 1.821 325 G CA -0.116 44.989 45.100 0.009 0.000 0.955 325 G HN 0.647 nan 8.290 nan 0.000 0.616 326 E N 1.816 122.014 120.200 -0.003 0.000 2.371 326 E HA 0.562 4.912 4.350 0.001 0.000 0.257 326 E C 1.408 178.009 176.600 0.001 0.000 1.134 326 E CA 0.254 56.653 56.400 -0.002 0.000 0.919 326 E CB 0.613 30.311 29.700 -0.004 0.000 1.025 326 E HN 0.870 nan 8.360 nan 0.000 0.438 327 R N 0.064 120.567 120.500 0.005 0.000 2.113 327 R HA -0.200 4.140 4.340 0.001 0.000 0.244 327 R C 1.828 178.138 176.300 0.017 0.000 1.142 327 R CA 2.778 58.883 56.100 0.009 0.000 0.953 327 R CB -0.365 29.941 30.300 0.010 0.000 0.860 327 R HN 0.903 nan 8.270 nan 0.000 0.438 328 D N 0.133 120.546 120.400 0.021 0.000 2.117 328 D HA -0.207 4.434 4.640 0.001 0.000 0.197 328 D C 2.106 178.430 176.300 0.040 0.000 0.987 328 D CA 1.338 55.360 54.000 0.036 0.000 0.829 328 D CB -0.402 40.421 40.800 0.038 0.000 0.961 328 D HN 0.390 nan 8.370 nan 0.000 0.460 329 I N 1.394 121.974 120.570 0.016 0.000 2.226 329 I HA -0.213 3.958 4.170 0.001 0.000 0.245 329 I C 2.491 178.624 176.117 0.028 0.000 1.100 329 I CA 1.300 62.609 61.300 0.015 0.000 1.374 329 I CB -0.566 37.425 38.000 -0.014 0.000 1.057 329 I HN 0.021 nan 8.210 nan 0.000 0.413 330 T N 1.464 116.027 114.554 0.014 0.000 2.708 330 T HA -0.143 4.207 4.350 0.001 0.000 0.266 330 T C 1.940 176.649 174.700 0.014 0.000 1.037 330 T CA 1.371 63.474 62.100 0.004 0.000 1.146 330 T CB -0.358 68.507 68.868 -0.004 0.000 0.865 330 T HN 0.226 nan 8.240 nan 0.000 0.435 331 I N 1.161 121.749 120.570 0.029 0.000 2.151 331 I HA -0.257 3.913 4.170 0.001 0.000 0.243 331 I C 2.903 179.066 176.117 0.075 0.000 1.080 331 I CA 1.237 62.564 61.300 0.045 0.000 1.339 331 I CB -0.433 37.598 38.000 0.053 0.000 1.039 331 I HN 0.180 nan 8.210 nan 0.000 0.409 332 Q N 0.551 120.414 119.800 0.104 0.000 2.096 332 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 332 Q C 1.998 178.067 176.000 0.115 0.000 0.982 332 Q CA 1.441 57.349 55.803 0.174 0.000 0.850 332 Q CB -0.801 27.995 28.738 0.096 0.000 0.901 332 Q HN 0.550 nan 8.270 nan 0.000 0.422 333 N N 0.927 119.655 118.700 0.046 0.000 2.069 333 N HA -0.144 4.597 4.740 0.001 0.000 0.191 333 N C 1.688 177.119 175.510 -0.132 0.000 1.031 333 N CA 1.681 54.681 53.050 -0.083 0.000 0.852 333 N CB -0.438 38.012 38.487 -0.061 0.000 1.018 333 N HN 0.298 nan 8.380 nan 0.000 0.423 334 A N 1.698 124.481 122.820 -0.061 0.000 1.898 334 A HA -0.089 4.231 4.320 0.001 0.000 0.216 334 A C 2.254 179.795 177.584 -0.072 0.000 1.181 334 A CA 0.976 52.976 52.037 -0.061 0.000 0.620 334 A CB -0.320 18.668 19.000 -0.020 0.000 0.819 334 A HN 0.149 nan 8.150 nan 0.000 0.442 335 R N -1.033 119.461 120.500 -0.009 0.000 2.096 335 R HA -0.160 4.181 4.340 0.001 0.000 0.240 335 R C 1.928 178.197 176.300 -0.051 0.000 1.139 335 R CA 1.691 57.827 56.100 0.060 0.000 0.952 335 R CB -0.788 29.674 30.300 0.271 0.000 0.854 335 R HN 0.529 nan 8.270 nan 0.000 0.436 336 I N 1.129 121.542 120.570 -0.262 0.000 2.614 336 I HA -0.151 4.019 4.170 0.001 0.000 0.258 336 I C 2.000 177.806 176.117 -0.519 0.000 1.189 336 I CA 0.993 61.979 61.300 -0.523 0.000 1.462 336 I CB -0.095 37.216 38.000 -1.148 0.000 1.092 336 I HN 0.092 nan 8.210 nan 0.000 0.442 337 L N -0.729 120.262 121.223 -0.386 0.000 2.179 337 L HA -0.071 4.269 4.340 0.001 0.000 0.208 337 L C 2.452 179.104 176.870 -0.364 0.000 1.096 337 L CA 0.913 55.544 54.840 -0.348 0.000 0.779 337 L CB -0.387 41.543 42.059 -0.215 0.000 0.922 337 L HN 0.123 nan 8.230 nan 0.000 0.443 338 R N -0.587 119.737 120.500 -0.293 0.000 2.195 338 R HA 0.112 4.452 4.340 0.001 0.000 0.197 338 R C 0.304 176.462 176.300 -0.236 0.000 0.990 338 R CA -0.003 55.953 56.100 -0.241 0.000 1.048 338 R CB 0.317 30.520 30.300 -0.160 0.000 0.997 338 R HN 0.324 nan 8.270 nan 0.000 0.502 339 E N 0.307 120.382 120.200 -0.208 0.000 2.366 339 E HA 0.131 4.481 4.350 0.001 0.000 0.266 339 E C 0.675 177.214 176.600 -0.102 0.000 1.051 339 E CA 0.111 56.461 56.400 -0.084 0.000 0.884 339 E CB 1.146 30.896 29.700 0.082 0.000 1.006 339 E HN 0.254 nan 8.360 nan 0.000 0.417 340 S N 2.149 117.859 115.700 0.017 0.000 2.446 340 S HA -0.080 4.390 4.470 0.001 0.000 0.225 340 S C 0.699 175.424 174.600 0.209 0.000 1.016 340 S CA 0.905 59.151 58.200 0.077 0.000 0.943 340 S CB -0.037 63.191 63.200 0.047 0.000 0.786 340 S HN 0.612 nan 8.310 nan 0.000 0.508 341 H N -0.583 118.558 119.070 0.119 0.000 2.974 341 H HA 0.413 4.969 4.556 0.001 0.000 0.285 341 H C -1.713 173.724 175.328 0.181 0.000 1.227 341 H CA -0.929 55.197 56.048 0.130 0.000 1.569 341 H CB 0.258 30.037 29.762 0.027 0.000 1.648 341 H HN 0.316 nan 8.280 nan 0.000 0.521 342 Y N 4.668 125.206 120.300 0.397 0.000 2.377 342 Y HA 0.251 4.801 4.550 0.001 0.000 0.330 342 Y C -0.791 175.291 175.900 0.305 0.000 1.108 342 Y CA 0.020 58.302 58.100 0.303 0.000 1.308 342 Y CB 0.440 39.098 38.460 0.331 0.000 1.216 342 Y HN 0.441 nan 8.280 nan 0.000 0.518 343 K N 8.961 129.124 120.400 -0.395 0.000 2.502 343 K HA 0.336 4.656 4.320 0.001 0.000 0.254 343 K C -2.758 173.505 176.600 -0.561 0.000 0.947 343 K CA -1.992 54.111 56.287 -0.306 0.000 0.834 343 K CB 1.701 34.084 32.500 -0.194 0.000 1.112 343 K HN 0.484 nan 8.250 nan 0.000 0.427 344 P HA 0.066 nan 4.420 nan 0.000 0.274 344 P C -0.755 176.477 177.300 -0.112 0.000 1.231 344 P CA -0.326 62.654 63.100 -0.200 0.000 0.790 344 P CB 0.678 32.430 31.700 0.085 0.000 0.951 345 D N 0.975 121.339 120.400 -0.060 0.000 2.400 345 D HA 0.055 4.695 4.640 0.001 0.000 0.238 345 D C 1.844 178.121 176.300 -0.038 0.000 1.157 345 D CA 0.264 54.238 54.000 -0.042 0.000 0.889 345 D CB 0.231 41.025 40.800 -0.011 0.000 1.199 345 D HN 0.535 nan 8.370 nan 0.000 0.436 346 E N 2.238 122.412 120.200 -0.042 0.000 2.136 346 E HA -0.297 4.054 4.350 0.001 0.000 0.202 346 E C 1.219 177.783 176.600 -0.059 0.000 1.019 346 E CA 1.975 58.347 56.400 -0.047 0.000 0.819 346 E CB -0.992 28.686 29.700 -0.038 0.000 0.739 346 E HN 0.644 nan 8.360 nan 0.000 0.458 347 N N 0.423 119.094 118.700 -0.047 0.000 2.461 347 N HA -0.012 4.728 4.740 0.001 0.000 0.188 347 N C -0.102 175.356 175.510 -0.086 0.000 1.134 347 N CA 0.750 53.763 53.050 -0.061 0.000 0.878 347 N CB 0.120 38.590 38.487 -0.029 0.000 0.972 347 N HN 0.340 nan 8.380 nan 0.000 0.456 348 D N 1.183 121.541 120.400 -0.069 0.000 2.393 348 D HA 0.031 4.671 4.640 0.001 0.000 0.232 348 D C 1.138 177.304 176.300 -0.223 0.000 1.192 348 D CA -0.386 53.575 54.000 -0.065 0.000 0.882 348 D CB 1.230 42.071 40.800 0.067 0.000 1.038 348 D HN 0.049 nan 8.370 nan 0.000 0.499 349 V N 1.856 121.493 119.914 -0.461 0.000 3.623 349 V HA 0.155 4.275 4.120 0.001 0.000 0.271 349 V C 0.977 176.650 176.094 -0.701 0.000 1.248 349 V CA 0.403 62.312 62.300 -0.651 0.000 1.156 349 V CB -0.990 30.307 31.823 -0.878 0.000 0.870 349 V HN 0.260 nan 8.190 nan 0.000 0.453 350 F N -0.079 119.606 119.950 -0.442 0.000 2.500 350 F HA 0.428 4.955 4.527 0.001 0.000 0.285 350 F C 1.398 176.784 175.800 -0.689 0.000 1.088 350 F CA -0.186 57.415 58.000 -0.665 0.000 1.432 350 F CB 0.037 38.396 39.000 -1.069 0.000 1.131 350 F HN 0.274 nan 8.300 nan 0.000 0.582 351 H N 0.260 119.311 119.070 -0.032 0.000 2.679 351 H HA 0.609 5.165 4.556 0.001 0.000 0.367 351 H C -0.517 174.872 175.328 0.102 0.000 1.162 351 H CA -0.844 55.152 56.048 -0.087 0.000 1.181 351 H CB 1.892 31.459 29.762 -0.324 0.000 1.693 351 H HN -0.097 nan 8.280 nan 0.000 0.538 352 L N 0.436 121.841 121.223 0.304 0.000 2.313 352 L HA 0.296 4.637 4.340 0.001 0.000 0.268 352 L C 0.767 177.875 176.870 0.396 0.000 1.010 352 L CA -0.954 54.037 54.840 0.253 0.000 0.814 352 L CB 1.640 43.795 42.059 0.159 0.000 1.304 352 L HN 0.584 nan 8.230 nan 0.000 0.441 353 E N 1.434 121.793 120.200 0.265 0.000 2.414 353 E HA 0.042 4.393 4.350 0.001 0.000 0.263 353 E C -0.937 175.896 176.600 0.388 0.000 1.000 353 E CA -0.093 56.497 56.400 0.317 0.000 0.914 353 E CB 0.763 30.583 29.700 0.201 0.000 0.948 353 E HN 0.410 nan 8.360 nan 0.000 0.444 354 Q N 3.420 123.455 119.800 0.391 0.000 2.309 354 Q HA 0.234 4.574 4.340 0.001 0.000 0.254 354 Q C -1.774 174.203 176.000 -0.039 0.000 0.938 354 Q CA -0.529 55.380 55.803 0.178 0.000 0.789 354 Q CB 1.119 29.890 28.738 0.054 0.000 1.313 354 Q HN 0.386 nan 8.270 nan 0.000 0.438 355 K N 3.147 123.380 120.400 -0.278 0.000 2.218 355 K HA 0.294 4.614 4.320 0.001 0.000 0.276 355 K C -0.293 176.043 176.600 -0.440 0.000 1.022 355 K CA -0.091 55.892 56.287 -0.507 0.000 0.946 355 K CB 0.682 32.653 32.500 -0.881 0.000 1.000 355 K HN 0.603 nan 8.250 nan 0.000 0.468 356 F N 1.080 120.872 119.950 -0.264 0.000 2.706 356 F HA 0.088 4.616 4.527 0.001 0.000 0.308 356 F C 0.091 175.925 175.800 0.057 0.000 1.095 356 F CA -0.194 57.773 58.000 -0.055 0.000 1.244 356 F CB 0.048 39.017 39.000 -0.051 0.000 1.063 356 F HN 0.643 nan 8.300 nan 0.000 0.582 357 Y N -0.629 119.736 120.300 0.108 0.000 2.851 357 Y HA -0.476 4.074 4.550 0.001 0.000 0.469 357 Y C 2.055 178.000 175.900 0.074 0.000 1.167 357 Y CA 1.063 59.199 58.100 0.061 0.000 2.635 357 Y CB -1.861 36.613 38.460 0.022 0.000 1.196 357 Y HN -0.001 nan 8.280 nan 0.000 0.625 358 S N 0.568 116.421 115.700 0.254 0.000 2.597 358 S HA 0.311 4.781 4.470 0.001 0.000 0.224 358 S C 0.118 174.790 174.600 0.119 0.000 0.955 358 S CA -0.110 58.174 58.200 0.140 0.000 0.933 358 S CB -0.181 63.079 63.200 0.101 0.000 0.788 358 S HN 0.310 nan 8.310 nan 0.000 0.488 359 I N 3.362 124.034 120.570 0.170 0.000 2.505 359 I HA 0.177 4.348 4.170 0.001 0.000 0.287 359 I C 0.662 176.813 176.117 0.057 0.000 1.104 359 I CA 0.083 61.471 61.300 0.145 0.000 1.387 359 I CB -0.083 38.070 38.000 0.255 0.000 1.404 359 I HN 0.223 nan 8.210 nan 0.000 0.528 360 K N 4.198 124.606 120.400 0.014 0.000 2.180 360 K HA 0.414 4.734 4.320 0.001 0.000 0.251 360 K C 0.332 176.871 176.600 -0.102 0.000 1.014 360 K CA -0.507 55.758 56.287 -0.037 0.000 0.913 360 K CB 0.632 33.117 32.500 -0.026 0.000 1.008 360 K HN 0.723 nan 8.250 nan 0.000 0.490 361 A N 0.988 123.725 122.820 -0.138 0.000 2.425 361 A HA 0.438 4.758 4.320 0.001 0.000 0.249 361 A C -0.254 177.230 177.584 -0.168 0.000 1.084 361 A CA -0.229 51.688 52.037 -0.201 0.000 0.781 361 A CB 0.279 19.149 19.000 -0.216 0.000 1.019 361 A HN 0.696 nan 8.150 nan 0.000 0.490 362 A N 1.449 124.165 122.820 -0.173 0.000 2.312 362 A HA 0.666 4.986 4.320 0.001 0.000 0.328 362 A C -0.681 176.857 177.584 -0.077 0.000 1.158 362 A CA -0.456 51.524 52.037 -0.094 0.000 0.821 362 A CB 0.314 19.264 19.000 -0.084 0.000 1.170 362 A HN 0.731 nan 8.150 nan 0.000 0.490 363 F N 2.821 122.729 119.950 -0.071 0.000 2.438 363 F HA 0.373 4.901 4.527 0.001 0.000 0.360 363 F C -2.006 173.744 175.800 -0.082 0.000 1.118 363 F CA -2.240 55.725 58.000 -0.059 0.000 1.164 363 F CB 0.932 39.913 39.000 -0.032 0.000 1.131 363 F HN 0.263 nan 8.300 nan 0.000 0.527 364 P HA 0.123 nan 4.420 nan 0.000 0.271 364 P C -0.798 176.528 177.300 0.044 0.000 1.216 364 P CA -0.018 63.119 63.100 0.061 0.000 0.776 364 P CB 0.645 32.361 31.700 0.026 0.000 0.881 365 T N 1.675 116.180 114.554 -0.082 0.000 2.809 365 T HA 0.392 4.743 4.350 0.001 0.000 0.284 365 T C -0.364 174.187 174.700 -0.248 0.000 0.992 365 T CA -0.382 61.599 62.100 -0.198 0.000 0.957 365 T CB 0.705 69.360 68.868 -0.355 0.000 0.942 365 T HN 0.173 nan 8.240 nan 0.000 0.439 366 S N 2.487 118.092 115.700 -0.159 0.000 2.451 366 S HA 0.781 5.251 4.470 0.001 0.000 0.301 366 S C -0.659 173.887 174.600 -0.090 0.000 1.116 366 S CA -0.467 57.668 58.200 -0.107 0.000 1.093 366 S CB 0.784 63.951 63.200 -0.055 0.000 1.017 366 S HN 0.762 nan 8.310 nan 0.000 0.482 367 S N 3.026 118.698 115.700 -0.048 0.000 2.558 367 S HA 0.693 5.163 4.470 0.001 0.000 0.277 367 S C -0.667 173.965 174.600 0.053 0.000 1.143 367 S CA 0.301 58.512 58.200 0.018 0.000 0.865 367 S CB 0.857 64.099 63.200 0.070 0.000 1.102 367 S HN 2.124 nan 8.310 nan 0.000 0.454 368 G N 1.400 110.227 108.800 0.045 0.000 3.353 368 G HA2 0.451 4.411 3.960 0.001 0.000 0.682 368 G HA3 0.451 4.411 3.960 0.001 0.000 0.682 368 G C 1.009 175.905 174.900 -0.007 0.000 1.192 368 G CA 0.553 45.677 45.100 0.041 0.000 1.111 368 G HN 2.316 nan 8.290 nan 0.000 0.493 369 G N -0.541 108.245 108.800 -0.023 0.000 2.168 369 G HA2 -0.021 3.939 3.960 0.001 0.000 0.257 369 G HA3 -0.021 3.939 3.960 0.001 0.000 0.257 369 G C 0.488 175.320 174.900 -0.113 0.000 0.997 369 G CA 0.877 45.945 45.100 -0.053 0.000 0.708 369 G HN 1.574 nan 8.290 nan 0.000 0.520 370 L N 0.923 122.066 121.223 -0.134 0.000 2.375 370 L HA 0.776 5.116 4.340 0.001 0.000 0.271 370 L C 0.627 177.339 176.870 -0.263 0.000 1.107 370 L CA -0.605 54.100 54.840 -0.225 0.000 0.806 370 L CB 1.042 43.017 42.059 -0.140 0.000 1.146 370 L HN 0.607 nan 8.230 nan 0.000 0.447 371 H N 0.290 119.201 119.070 -0.265 0.000 2.990 371 H HA 0.454 5.010 4.556 0.001 0.000 0.336 371 H C -2.604 172.628 175.328 -0.159 0.000 1.306 371 H CA -1.809 54.033 56.048 -0.343 0.000 1.118 371 H CB 0.219 29.547 29.762 -0.723 0.000 1.856 371 H HN 0.221 nan 8.280 nan 0.000 0.538 372 P HA -0.021 nan 4.420 nan 0.000 0.221 372 P C 1.204 178.542 177.300 0.064 0.000 1.145 372 P CA 2.150 65.284 63.100 0.058 0.000 0.795 372 P CB -0.031 31.745 31.700 0.127 0.000 0.775 373 G N -0.572 108.371 108.800 0.238 0.000 3.042 373 G HA2 -0.059 3.901 3.960 0.001 0.000 0.212 373 G HA3 -0.059 3.901 3.960 0.001 0.000 0.212 373 G C 0.619 175.513 174.900 -0.009 0.000 1.166 373 G CA -0.002 45.119 45.100 0.035 0.000 0.767 373 G HN 0.337 nan 8.290 nan 0.000 0.546 374 N N 0.086 118.605 118.700 -0.303 0.000 2.466 374 N HA 0.060 4.800 4.740 0.001 0.000 0.272 374 N C 1.012 176.392 175.510 -0.217 0.000 1.455 374 N CA -0.419 52.465 53.050 -0.276 0.000 0.875 374 N CB -0.599 37.615 38.487 -0.454 0.000 1.372 374 N HN 0.403 nan 8.380 nan 0.000 0.492 375 I N -5.076 115.403 120.570 -0.152 0.000 3.968 375 I HA 0.291 4.462 4.170 0.001 0.000 0.328 375 I C 1.827 177.906 176.117 -0.063 0.000 1.290 375 I CA 0.186 61.420 61.300 -0.111 0.000 1.163 375 I CB -0.103 37.829 38.000 -0.115 0.000 1.024 375 I HN 0.075 nan 8.210 nan 0.000 0.413 376 Q N 2.530 122.309 119.800 -0.036 0.000 2.119 376 Q HA 0.003 4.344 4.340 0.001 0.000 0.201 376 Q C -0.144 175.845 176.000 -0.018 0.000 0.972 376 Q CA 1.800 57.591 55.803 -0.020 0.000 0.847 376 Q CB -2.486 26.256 28.738 0.006 0.000 0.903 376 Q HN 0.511 nan 8.270 nan 0.000 0.433 377 P HA -0.074 nan 4.420 nan 0.000 0.218 377 P C 1.344 178.633 177.300 -0.019 0.000 1.149 377 P CA 1.217 64.309 63.100 -0.014 0.000 0.817 377 P CB 0.056 31.748 31.700 -0.012 0.000 0.785 378 V N -0.169 119.727 119.914 -0.031 0.000 2.283 378 V HA -0.170 3.950 4.120 0.001 0.000 0.243 378 V C 2.339 178.422 176.094 -0.019 0.000 1.039 378 V CA 1.481 63.764 62.300 -0.029 0.000 1.016 378 V CB -1.078 30.719 31.823 -0.043 0.000 0.650 378 V HN 0.024 nan 8.190 nan 0.000 0.449 379 I N 0.295 120.852 120.570 -0.022 0.000 2.614 379 I HA -0.202 3.968 4.170 0.001 0.000 0.258 379 I C 2.534 178.646 176.117 -0.010 0.000 1.189 379 I CA 1.567 62.859 61.300 -0.014 0.000 1.462 379 I CB -0.288 37.698 38.000 -0.023 0.000 1.092 379 I HN 0.478 nan 8.210 nan 0.000 0.442 380 E N 1.688 121.881 120.200 -0.012 0.000 2.076 380 E HA -0.159 4.191 4.350 0.001 0.000 0.190 380 E C 2.334 178.932 176.600 -0.003 0.000 0.979 380 E CA 1.071 57.466 56.400 -0.008 0.000 0.807 380 E CB 0.062 29.756 29.700 -0.009 0.000 0.761 380 E HN 0.419 nan 8.360 nan 0.000 0.454 381 A N 1.208 124.026 122.820 -0.002 0.000 1.898 381 A HA -0.082 4.238 4.320 0.001 0.000 0.216 381 A C 2.116 179.704 177.584 0.006 0.000 1.181 381 A CA 1.131 53.169 52.037 0.003 0.000 0.620 381 A CB -0.393 18.608 19.000 0.002 0.000 0.819 381 A HN 0.323 nan 8.150 nan 0.000 0.442 382 L N -1.788 119.438 121.223 0.005 0.000 2.590 382 L HA 0.342 4.682 4.340 0.001 0.000 0.227 382 L C 1.343 178.220 176.870 0.012 0.000 1.099 382 L CA 0.224 55.069 54.840 0.009 0.000 0.872 382 L CB -0.656 41.408 42.059 0.008 0.000 1.088 382 L HN 0.640 nan 8.230 nan 0.000 0.479 383 G N 1.108 109.914 108.800 0.009 0.000 2.693 383 G HA2 -0.328 3.632 3.960 0.001 0.000 0.226 383 G HA3 -0.328 3.632 3.960 0.001 0.000 0.226 383 G C 0.541 175.455 174.900 0.024 0.000 1.354 383 G CA 0.090 45.196 45.100 0.011 0.000 0.873 383 G HN 0.240 nan 8.290 nan 0.000 0.562 384 T N -3.288 111.284 114.554 0.031 0.000 3.044 384 T HA 0.277 4.627 4.350 0.001 0.000 0.250 384 T C 0.757 175.522 174.700 0.109 0.000 1.081 384 T CA 1.273 63.404 62.100 0.052 0.000 1.040 384 T CB 0.318 69.208 68.868 0.036 0.000 0.962 384 T HN 0.385 nan 8.240 nan 0.000 0.506 385 D N 2.675 123.132 120.400 0.096 0.000 2.688 385 D HA 0.369 5.009 4.640 0.001 0.000 0.228 385 D C 0.060 176.538 176.300 0.296 0.000 1.116 385 D CA -0.171 53.916 54.000 0.146 0.000 1.023 385 D CB -0.415 40.356 40.800 -0.048 0.000 1.100 385 D HN 0.744 nan 8.370 nan 0.000 0.487 386 I N -3.312 117.493 120.570 0.392 0.000 3.095 386 I HA 0.577 4.747 4.170 0.001 0.000 0.310 386 I C -0.788 175.379 176.117 0.084 0.000 1.196 386 I CA -1.301 60.175 61.300 0.293 0.000 0.985 386 I CB 1.975 40.042 38.000 0.111 0.000 1.250 386 I HN -0.371 nan 8.210 nan 0.000 0.446 387 V N 3.948 123.809 119.914 -0.087 0.000 2.435 387 V HA 0.462 4.582 4.120 0.001 0.000 0.290 387 V C 0.001 176.078 176.094 -0.029 0.000 1.030 387 V CA -0.443 61.747 62.300 -0.183 0.000 0.881 387 V CB 1.472 33.114 31.823 -0.302 0.000 0.983 387 V HN 0.475 nan 8.190 nan 0.000 0.445 388 L N 4.485 125.741 121.223 0.056 0.000 2.322 388 L HA 0.596 4.936 4.340 0.001 0.000 0.279 388 L C -0.087 176.870 176.870 0.145 0.000 1.036 388 L CA -0.220 54.668 54.840 0.080 0.000 0.807 388 L CB 1.482 43.596 42.059 0.092 0.000 1.226 388 L HN 0.514 nan 8.230 nan 0.000 0.433 389 Q N 3.814 123.672 119.800 0.097 0.000 2.309 389 Q HA 0.435 4.775 4.340 0.001 0.000 0.270 389 Q C -1.865 174.178 176.000 0.071 0.000 1.023 389 Q CA -0.735 55.131 55.803 0.105 0.000 0.758 389 Q CB 1.948 30.783 28.738 0.163 0.000 1.247 389 Q HN 0.400 nan 8.270 nan 0.000 0.455 390 L N 3.748 125.018 121.223 0.078 0.000 2.345 390 L HA 0.539 4.879 4.340 0.001 0.000 0.274 390 L C 0.865 177.754 176.870 0.031 0.000 0.999 390 L CA -0.086 54.788 54.840 0.057 0.000 0.849 390 L CB 1.734 43.849 42.059 0.093 0.000 1.220 390 L HN 0.776 nan 8.230 nan 0.000 0.422 391 G N 1.626 110.436 108.800 0.017 0.000 2.618 391 G HA2 0.157 4.118 3.960 0.001 0.000 0.222 391 G HA3 0.157 4.118 3.960 0.001 0.000 0.222 391 G C 1.274 176.184 174.900 0.018 0.000 1.520 391 G CA 0.522 45.634 45.100 0.021 0.000 0.930 391 G HN 0.696 nan 8.290 nan 0.000 0.547 392 G N 0.703 109.508 108.800 0.009 0.000 2.547 392 G HA2 -0.036 3.925 3.960 0.001 0.000 0.221 392 G HA3 -0.036 3.925 3.960 0.001 0.000 0.221 392 G C 1.600 176.473 174.900 -0.045 0.000 1.140 392 G CA 1.498 46.602 45.100 0.007 0.000 0.760 392 G HN 0.822 nan 8.290 nan 0.000 0.583 393 G N -1.262 107.424 108.800 -0.190 0.000 3.026 393 G HA2 0.282 4.243 3.960 0.001 0.000 0.208 393 G HA3 0.282 4.243 3.960 0.001 0.000 0.208 393 G C 1.255 176.128 174.900 -0.045 0.000 1.169 393 G CA 1.323 46.162 45.100 -0.436 0.000 0.788 393 G HN 0.414 nan 8.290 nan 0.000 0.533 394 T N 0.110 114.721 114.554 0.095 0.000 3.182 394 T HA 0.134 4.484 4.350 0.001 0.000 0.244 394 T C 2.042 176.863 174.700 0.202 0.000 0.981 394 T CA -0.263 61.944 62.100 0.179 0.000 1.182 394 T CB -0.059 68.888 68.868 0.131 0.000 1.043 394 T HN -0.037 nan 8.240 nan 0.000 0.424 395 L N 1.712 123.013 121.223 0.129 0.000 2.265 395 L HA 0.076 4.417 4.340 0.001 0.000 0.215 395 L C 2.298 179.270 176.870 0.171 0.000 1.117 395 L CA 1.605 56.509 54.840 0.107 0.000 0.782 395 L CB -1.465 40.626 42.059 0.054 0.000 0.914 395 L HN 0.409 nan 8.230 nan 0.000 0.441 396 G N -2.625 106.346 108.800 0.285 0.000 3.337 396 G HA2 -0.071 3.889 3.960 0.001 0.000 0.246 396 G HA3 -0.071 3.889 3.960 0.001 0.000 0.246 396 G C 0.587 175.697 174.900 0.351 0.000 1.131 396 G CA -0.308 44.996 45.100 0.340 0.000 0.773 396 G HN 0.310 nan 8.290 nan 0.000 0.544 397 H N 2.099 121.318 119.070 0.249 0.000 2.928 397 H HA 0.084 4.640 4.556 0.001 0.000 0.338 397 H C -1.229 174.043 175.328 -0.093 0.000 1.047 397 H CA -1.286 54.776 56.048 0.023 0.000 1.435 397 H CB 2.011 31.835 29.762 0.103 0.000 1.428 397 H HN 0.019 nan 8.280 nan 0.000 0.590 398 P HA -0.070 nan 4.420 nan 0.000 0.228 398 P C -0.150 177.191 177.300 0.070 0.000 1.151 398 P CA 0.942 63.952 63.100 -0.149 0.000 0.770 398 P CB 0.516 32.016 31.700 -0.334 0.000 0.786 399 D N -0.185 120.442 120.400 0.377 0.000 2.670 399 D HA 0.326 4.967 4.640 0.001 0.000 0.255 399 D C 0.943 177.277 176.300 0.058 0.000 1.286 399 D CA 0.123 54.224 54.000 0.169 0.000 0.830 399 D CB 0.584 41.472 40.800 0.146 0.000 1.065 399 D HN 0.110 nan 8.370 nan 0.000 0.486 400 G N 2.070 110.923 108.800 0.088 0.000 2.733 400 G HA2 -0.216 3.745 3.960 0.001 0.000 0.686 400 G HA3 -0.216 3.745 3.960 0.001 0.000 0.686 400 G C -2.151 172.733 174.900 -0.025 0.000 1.373 400 G CA -1.053 44.058 45.100 0.019 0.000 0.838 400 G HN -0.076 nan 8.290 nan 0.000 0.588 401 P HA -0.170 nan 4.420 nan 0.000 0.214 401 P C 2.428 179.684 177.300 -0.074 0.000 1.169 401 P CA 3.263 66.349 63.100 -0.024 0.000 0.908 401 P CB -0.126 31.550 31.700 -0.040 0.000 0.791 402 A N -0.461 122.304 122.820 -0.092 0.000 1.958 402 A HA -0.244 4.077 4.320 0.001 0.000 0.221 402 A C 2.314 179.814 177.584 -0.140 0.000 1.178 402 A CA 2.585 54.558 52.037 -0.107 0.000 0.642 402 A CB -1.638 17.303 19.000 -0.098 0.000 0.816 402 A HN 0.249 nan 8.150 nan 0.000 0.453 403 A N -0.766 121.920 122.820 -0.224 0.000 1.897 403 A HA 0.235 4.555 4.320 0.001 0.000 0.215 403 A C 2.444 179.758 177.584 -0.451 0.000 1.181 403 A CA 1.687 53.501 52.037 -0.373 0.000 0.620 403 A CB -1.403 17.268 19.000 -0.549 0.000 0.821 403 A HN 0.769 nan 8.150 nan 0.000 0.443 404 G N 0.037 108.591 108.800 -0.410 0.000 2.529 404 G HA2 -0.133 3.828 3.960 0.001 0.000 0.219 404 G HA3 -0.133 3.828 3.960 0.001 0.000 0.219 404 G C 1.805 176.709 174.900 0.007 0.000 1.177 404 G CA 1.906 46.979 45.100 -0.044 0.000 0.773 404 G HN 0.857 nan 8.290 nan 0.000 0.573 405 A N 0.490 123.316 122.820 0.011 0.000 1.917 405 A HA -0.087 4.233 4.320 0.001 0.000 0.219 405 A C 2.473 180.054 177.584 -0.006 0.000 1.182 405 A CA 1.881 53.968 52.037 0.084 0.000 0.633 405 A CB -0.415 18.619 19.000 0.058 0.000 0.819 405 A HN 0.397 nan 8.150 nan 0.000 0.448 406 R N -0.903 119.567 120.500 -0.049 0.000 2.090 406 R HA 0.012 4.352 4.340 0.001 0.000 0.228 406 R C 2.491 178.764 176.300 -0.044 0.000 1.110 406 R CA 1.001 57.072 56.100 -0.047 0.000 0.973 406 R CB -0.398 29.874 30.300 -0.046 0.000 0.869 406 R HN 0.521 nan 8.270 nan 0.000 0.440 407 A N 0.651 123.450 122.820 -0.035 0.000 1.933 407 A HA -0.104 4.217 4.320 0.001 0.000 0.218 407 A C 2.293 179.859 177.584 -0.030 0.000 1.175 407 A CA 1.250 53.306 52.037 0.030 0.000 0.628 407 A CB -0.406 18.691 19.000 0.161 0.000 0.814 407 A HN 0.105 nan 8.150 nan 0.000 0.444 408 V N -0.363 119.474 119.914 -0.127 0.000 2.379 408 V HA -0.163 3.957 4.120 0.001 0.000 0.245 408 V C 2.619 178.475 176.094 -0.397 0.000 1.044 408 V CA 2.201 64.305 62.300 -0.327 0.000 1.036 408 V CB -0.664 30.750 31.823 -0.682 0.000 0.664 408 V HN 0.587 nan 8.190 nan 0.000 0.453 409 R N -0.185 120.109 120.500 -0.344 0.000 2.189 409 R HA -0.088 4.252 4.340 0.001 0.000 0.218 409 R C 2.163 178.372 176.300 -0.153 0.000 1.074 409 R CA 1.290 57.248 56.100 -0.237 0.000 0.991 409 R CB -0.260 29.972 30.300 -0.113 0.000 0.883 409 R HN 0.606 nan 8.270 nan 0.000 0.457 410 Q N -0.999 118.730 119.800 -0.118 0.000 1.994 410 Q HA 0.017 4.357 4.340 0.001 0.000 0.198 410 Q C 2.095 177.992 176.000 -0.171 0.000 0.976 410 Q CA 1.448 57.199 55.803 -0.088 0.000 0.828 410 Q CB -0.222 28.506 28.738 -0.016 0.000 0.894 410 Q HN 0.412 nan 8.270 nan 0.000 0.432 411 A N 0.911 123.652 122.820 -0.132 0.000 1.997 411 A HA -0.220 4.100 4.320 0.001 0.000 0.221 411 A C 1.988 179.447 177.584 -0.208 0.000 1.172 411 A CA 1.341 53.290 52.037 -0.146 0.000 0.645 411 A CB -0.749 18.198 19.000 -0.088 0.000 0.813 411 A HN 0.351 nan 8.150 nan 0.000 0.454 412 I N -0.690 119.752 120.570 -0.213 0.000 2.286 412 I HA -0.183 3.987 4.170 0.001 0.000 0.245 412 I C 1.939 177.930 176.117 -0.210 0.000 1.104 412 I CA 1.252 62.439 61.300 -0.188 0.000 1.397 412 I CB -0.478 37.419 38.000 -0.170 0.000 1.072 412 I HN 0.249 nan 8.210 nan 0.000 0.417 413 D N 1.342 121.594 120.400 -0.246 0.000 2.106 413 D HA -0.209 4.431 4.640 0.001 0.000 0.191 413 D C 2.228 178.240 176.300 -0.481 0.000 0.997 413 D CA 1.756 55.585 54.000 -0.285 0.000 0.834 413 D CB -0.239 40.425 40.800 -0.225 0.000 0.956 413 D HN 0.340 nan 8.370 nan 0.000 0.448 414 A N 1.058 123.387 122.820 -0.818 0.000 1.859 414 A HA -0.220 4.100 4.320 0.001 0.000 0.217 414 A C 2.460 179.822 177.584 -0.369 0.000 1.198 414 A CA 1.655 53.176 52.037 -0.860 0.000 0.629 414 A CB -1.009 17.554 19.000 -0.728 0.000 0.830 414 A HN 0.263 nan 8.150 nan 0.000 0.446 415 I N -0.713 119.705 120.570 -0.253 0.000 2.286 415 I HA -0.278 3.893 4.170 0.001 0.000 0.248 415 I C 2.490 178.538 176.117 -0.115 0.000 1.115 415 I CA 1.123 62.338 61.300 -0.142 0.000 1.392 415 I CB -0.351 37.585 38.000 -0.107 0.000 1.065 415 I HN 0.289 nan 8.210 nan 0.000 0.418 416 M N -0.281 119.242 119.600 -0.129 0.000 2.296 416 M HA -0.171 4.309 4.480 0.001 0.000 0.265 416 M C 1.894 178.150 176.300 -0.073 0.000 1.064 416 M CA 1.683 56.932 55.300 -0.084 0.000 1.109 416 M CB -0.776 31.780 32.600 -0.075 0.000 1.396 416 M HN 0.360 nan 8.290 nan 0.000 0.430 417 Q N -1.315 118.423 119.800 -0.103 0.000 2.319 417 Q HA 0.219 4.559 4.340 0.001 0.000 0.209 417 Q C 1.091 177.066 176.000 -0.042 0.000 0.884 417 Q CA 0.436 56.201 55.803 -0.063 0.000 0.938 417 Q CB 0.718 29.419 28.738 -0.060 0.000 1.098 417 Q HN 0.683 nan 8.270 nan 0.000 0.517 418 G N 1.309 110.076 108.800 -0.056 0.000 2.175 418 G HA2 -0.257 3.704 3.960 0.001 0.000 0.244 418 G HA3 -0.257 3.704 3.960 0.001 0.000 0.244 418 G C 0.144 175.033 174.900 -0.018 0.000 0.982 418 G CA -0.213 44.870 45.100 -0.030 0.000 0.641 418 G HN 0.298 nan 8.290 nan 0.000 0.527 419 I N 2.550 123.102 120.570 -0.031 0.000 2.396 419 I HA 0.273 4.444 4.170 0.001 0.000 0.289 419 I C -1.707 174.414 176.117 0.007 0.000 1.056 419 I CA -2.075 59.238 61.300 0.021 0.000 1.365 419 I CB 0.963 39.024 38.000 0.102 0.000 1.407 419 I HN -0.125 nan 8.210 nan 0.000 0.509 420 P HA -0.016 nan 4.420 nan 0.000 0.268 420 P C 0.514 177.874 177.300 0.100 0.000 1.208 420 P CA -0.269 62.862 63.100 0.053 0.000 0.777 420 P CB 0.614 32.346 31.700 0.053 0.000 0.875 421 L N 1.776 123.067 121.223 0.113 0.000 2.056 421 L HA -0.132 4.208 4.340 0.001 0.000 0.207 421 L C 1.827 178.811 176.870 0.189 0.000 1.078 421 L CA 1.874 56.807 54.840 0.154 0.000 0.749 421 L CB -1.161 40.993 42.059 0.160 0.000 0.901 421 L HN 0.402 nan 8.230 nan 0.000 0.433 422 D N -0.192 120.317 120.400 0.181 0.000 2.149 422 D HA -0.194 4.447 4.640 0.001 0.000 0.198 422 D C 2.202 178.579 176.300 0.128 0.000 0.990 422 D CA 1.509 55.601 54.000 0.152 0.000 0.839 422 D CB 0.232 41.111 40.800 0.131 0.000 0.948 422 D HN 0.541 nan 8.370 nan 0.000 0.460 423 E N 0.466 120.746 120.200 0.134 0.000 2.028 423 E HA -0.197 4.153 4.350 0.001 0.000 0.191 423 E C 1.948 178.656 176.600 0.181 0.000 0.988 423 E CA 0.823 57.301 56.400 0.131 0.000 0.799 423 E CB -1.296 28.478 29.700 0.123 0.000 0.755 423 E HN 0.372 nan 8.360 nan 0.000 0.447 424 Y N 0.938 121.290 120.300 0.087 0.000 2.256 424 Y HA 0.000 4.550 4.550 0.001 0.000 0.288 424 Y C 2.823 178.855 175.900 0.221 0.000 1.155 424 Y CA 1.373 59.559 58.100 0.144 0.000 1.203 424 Y CB -0.535 37.951 38.460 0.043 0.000 0.980 424 Y HN 0.322 nan 8.280 nan 0.000 0.530 425 A N 0.418 123.386 122.820 0.247 0.000 1.908 425 A HA -0.279 4.041 4.320 0.001 0.000 0.218 425 A C 2.386 180.022 177.584 0.086 0.000 1.181 425 A CA 2.812 54.950 52.037 0.168 0.000 0.627 425 A CB -1.348 17.729 19.000 0.129 0.000 0.818 425 A HN 0.442 nan 8.150 nan 0.000 0.445 426 K N -0.631 119.802 120.400 0.054 0.000 2.089 426 K HA -0.214 4.106 4.320 0.001 0.000 0.210 426 K C 1.827 178.387 176.600 -0.067 0.000 1.048 426 K CA 2.574 58.860 56.287 -0.001 0.000 0.926 426 K CB -1.979 30.521 32.500 0.000 0.000 0.714 426 K HN 0.983 nan 8.250 nan 0.000 0.448 427 T N -2.770 111.701 114.554 -0.138 0.000 3.145 427 T HA 0.337 4.688 4.350 0.001 0.000 0.255 427 T C -0.252 174.064 174.700 -0.641 0.000 1.039 427 T CA -0.154 61.733 62.100 -0.356 0.000 0.928 427 T CB -0.396 68.207 68.868 -0.442 0.000 1.029 427 T HN 0.604 nan 8.240 nan 0.000 0.554 428 H N 0.369 119.360 119.070 -0.131 0.000 3.177 428 H HA 0.427 4.984 4.556 0.001 0.000 0.314 428 H C 0.181 175.497 175.328 -0.019 0.000 1.059 428 H CA -0.890 55.106 56.048 -0.087 0.000 1.515 428 H CB 1.517 31.225 29.762 -0.089 0.000 1.672 428 H HN -0.082 nan 8.280 nan 0.000 0.514 429 K N 1.651 122.085 120.400 0.056 0.000 2.025 429 K HA -0.145 4.175 4.320 0.001 0.000 0.207 429 K C 1.777 178.429 176.600 0.086 0.000 1.049 429 K CA 1.394 57.708 56.287 0.044 0.000 0.933 429 K CB 0.128 32.634 32.500 0.010 0.000 0.714 429 K HN 0.634 nan 8.250 nan 0.000 0.438 430 E N 1.304 121.562 120.200 0.097 0.000 2.085 430 E HA -0.221 4.129 4.350 0.001 0.000 0.194 430 E C 1.997 178.739 176.600 0.237 0.000 0.994 430 E CA 1.201 57.684 56.400 0.139 0.000 0.801 430 E CB -0.655 29.056 29.700 0.018 0.000 0.743 430 E HN 0.214 nan 8.360 nan 0.000 0.453 431 L N 1.791 123.114 121.223 0.167 0.000 2.017 431 L HA -0.041 4.299 4.340 0.001 0.000 0.208 431 L C 2.486 179.424 176.870 0.114 0.000 1.073 431 L CA 2.321 57.253 54.840 0.153 0.000 0.745 431 L CB -1.126 41.027 42.059 0.157 0.000 0.894 431 L HN 0.112 nan 8.230 nan 0.000 0.432 432 A N -0.400 122.477 122.820 0.096 0.000 1.940 432 A HA -0.197 4.124 4.320 0.001 0.000 0.219 432 A C 2.312 179.886 177.584 -0.016 0.000 1.176 432 A CA 1.555 53.619 52.037 0.044 0.000 0.631 432 A CB -0.547 18.475 19.000 0.037 0.000 0.814 432 A HN 0.487 nan 8.150 nan 0.000 0.446 433 R N -0.481 120.013 120.500 -0.010 0.000 2.148 433 R HA 0.002 4.343 4.340 0.001 0.000 0.227 433 R C 2.340 178.413 176.300 -0.378 0.000 1.103 433 R CA 1.211 57.228 56.100 -0.139 0.000 0.983 433 R CB -0.915 29.369 30.300 -0.026 0.000 0.874 433 R HN 0.556 nan 8.270 nan 0.000 0.451 434 A N 1.528 124.202 122.820 -0.244 0.000 1.854 434 A HA -0.041 4.280 4.320 0.001 0.000 0.214 434 A C 2.829 180.303 177.584 -0.183 0.000 1.192 434 A CA 1.807 53.684 52.037 -0.266 0.000 0.611 434 A CB -1.112 17.992 19.000 0.173 0.000 0.832 434 A HN 0.216 nan 8.150 nan 0.000 0.442 435 L N 0.151 121.333 121.223 -0.069 0.000 2.043 435 L HA -0.203 4.137 4.340 0.001 0.000 0.212 435 L C 2.457 179.250 176.870 -0.129 0.000 1.075 435 L CA 3.223 58.014 54.840 -0.082 0.000 0.752 435 L CB -1.825 40.210 42.059 -0.040 0.000 0.891 435 L HN 0.746 nan 8.230 nan 0.000 0.432 436 E N -0.713 119.389 120.200 -0.164 0.000 2.097 436 E HA -0.329 4.021 4.350 0.001 0.000 0.196 436 E C 2.376 178.814 176.600 -0.270 0.000 1.000 436 E CA 1.980 58.272 56.400 -0.181 0.000 0.804 436 E CB -0.086 29.508 29.700 -0.178 0.000 0.740 436 E HN 0.797 nan 8.360 nan 0.000 0.454 437 K N -0.912 119.201 120.400 -0.478 0.000 2.116 437 K HA -0.086 4.234 4.320 0.001 0.000 0.203 437 K C 1.545 177.795 176.600 -0.583 0.000 1.052 437 K CA 1.202 57.080 56.287 -0.683 0.000 0.952 437 K CB 0.101 31.872 32.500 -1.215 0.000 0.729 437 K HN 0.279 nan 8.250 nan 0.000 0.446 438 W N -0.117 121.022 121.300 -0.268 0.000 2.871 438 W HA 0.267 4.927 4.660 0.001 0.000 0.267 438 W C 1.175 177.525 176.519 -0.282 0.000 1.180 438 W CA 0.626 57.748 57.345 -0.373 0.000 1.463 438 W CB -0.304 28.680 29.460 -0.793 0.000 0.966 438 W HN 0.393 nan 8.180 nan 0.000 0.605 439 G N 1.496 110.282 108.800 -0.023 0.000 2.536 439 G HA2 -0.302 3.658 3.960 0.001 0.000 0.280 439 G HA3 -0.302 3.658 3.960 0.001 0.000 0.280 439 G C 0.248 175.091 174.900 -0.096 0.000 1.152 439 G CA 0.698 45.794 45.100 -0.006 0.000 0.970 439 G HN 0.457 nan 8.290 nan 0.000 0.549 440 H N -0.503 118.680 119.070 0.188 0.000 2.575 440 H HA 0.442 4.998 4.556 0.001 0.000 0.256 440 H C 0.901 176.359 175.328 0.218 0.000 1.162 440 H CA 0.300 56.487 56.048 0.233 0.000 0.969 440 H CB 0.395 30.230 29.762 0.122 0.000 1.796 440 H HN 0.426 nan 8.280 nan 0.000 0.607 441 V N 2.317 122.416 119.914 0.309 0.000 2.999 441 V HA 0.014 4.134 4.120 0.001 0.000 0.307 441 V C 0.259 176.499 176.094 0.244 0.000 1.084 441 V CA 0.516 62.955 62.300 0.231 0.000 1.155 441 V CB 1.220 33.144 31.823 0.167 0.000 0.975 441 V HN 0.296 nan 8.190 nan 0.000 0.490 442 T N 8.174 122.809 114.554 0.135 0.000 2.781 442 T HA 0.422 4.773 4.350 0.001 0.000 0.305 442 T C -2.533 172.211 174.700 0.073 0.000 1.001 442 T CA -0.705 61.444 62.100 0.081 0.000 0.950 442 T CB 0.948 69.845 68.868 0.047 0.000 0.955 442 T HN 0.669 nan 8.240 nan 0.000 0.471 443 P HA 0.381 nan 4.420 nan 0.000 0.271 443 P C -0.627 176.694 177.300 0.035 0.000 1.216 443 P CA -0.292 62.839 63.100 0.051 0.000 0.776 443 P CB 0.708 32.427 31.700 0.032 0.000 0.881 444 V N 0.000 119.936 119.914 0.036 0.000 2.409 444 V HA 0.000 4.120 4.120 0.001 0.000 0.244 444 V CA 0.000 62.317 62.300 0.029 0.000 1.235 444 V CB 0.000 31.840 31.823 0.029 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556