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 1jeq_1_A DATA FIRST_RESID 35 DATA SEQUENCE RDSLIFLVDA SKAMFESQSE DELTPFDMSI QCIQSVYISK IISSDRDLLA DATA SEQUENCE VVFYGTEKDK NSVNFKNIYV LQELDNPGAK RILELDQFKG QQGQKRFQDM DATA SEQUENCE MGHGSDYSLS EVLWVCANLF SDVQFKMSHK RIMLFTNEDN PHGNDSAKAS DATA SEQUENCE RARTKAGDLR DTGIFLDLMH LKKPGGFDIS LFYRDIISIX XXXXXXVHFE DATA SEQUENCE ESSKLEDLLR KVRAKETRKR ALSRLKLKLN KDIVISVGIY NLVQKALKPP DATA SEQUENCE PIKLYRETNE PVKTKTRTFN TSTGGLLLPS DTKRSQIYGS RQIILEKEET DATA SEQUENCE EELKRFDDPG LMLMGFKPLV LLKKHHYLRP SLFVYPEESL VIGSSTLFSA DATA SEQUENCE LLIKCLEKEV AALCRYTPRR NIPPYFVALV PQEEELDDQK IQVTPPGFQL DATA SEQUENCE VFLPFADDKR KMPFTEKIMA TPEQVGKMKA IVEKLRFTYR SDSFENPVLQ DATA SEQUENCE QHFRNLEALA LDLMEPEQAV DLTLPKVEAM NKRLGSLVDE FKELVYPPDY DATA SEQUENCE NPEGXXXXXX XXXXXXXXXX XXXXYSEEEL KTHISKGTLG KFTVPMLKEA DATA SEQUENCE CRAYGLKSGL KKQELLEALT KHFQD 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 35 R HA 0.000 nan 4.340 nan 0.000 0.208 35 R C 0.000 176.287 176.300 -0.021 0.000 0.893 35 R CA 0.000 56.078 56.100 -0.037 0.000 0.921 35 R CB 0.000 30.246 30.300 -0.091 0.000 0.687 36 D N 0.821 121.212 120.400 -0.015 0.000 2.175 36 D HA 0.399 5.039 4.640 -0.000 0.000 0.248 36 D C -0.530 175.766 176.300 -0.007 0.000 1.047 36 D CA 0.077 54.084 54.000 0.011 0.000 0.883 36 D CB 1.818 42.626 40.800 0.013 0.000 1.180 36 D HN 0.155 nan 8.370 nan 0.000 0.438 37 S N 0.902 116.627 115.700 0.041 0.000 2.501 37 S HA 0.690 5.160 4.470 -0.000 0.000 0.301 37 S C -1.093 173.577 174.600 0.118 0.000 1.096 37 S CA -0.674 57.592 58.200 0.111 0.000 1.063 37 S CB 1.103 64.498 63.200 0.325 0.000 1.042 37 S HN 0.319 nan 8.310 nan 0.000 0.494 38 L N 3.820 125.037 121.223 -0.010 0.000 2.482 38 L HA 0.601 4.941 4.340 -0.000 0.000 0.269 38 L C -1.556 175.102 176.870 -0.354 0.000 0.967 38 L CA -0.167 54.564 54.840 -0.182 0.000 0.851 38 L CB 1.008 42.860 42.059 -0.345 0.000 1.242 38 L HN 0.646 nan 8.230 nan 0.000 0.404 39 I N 4.943 125.339 120.570 -0.290 0.000 2.353 39 I HA 0.323 4.493 4.170 -0.000 0.000 0.293 39 I C -0.799 175.135 176.117 -0.305 0.000 0.992 39 I CA -0.202 60.925 61.300 -0.288 0.000 1.268 39 I CB 1.010 38.844 38.000 -0.277 0.000 1.387 39 I HN 0.480 nan 8.210 nan 0.000 0.478 40 F N 6.886 126.860 119.950 0.040 0.000 2.361 40 F HA 0.329 4.856 4.527 -0.000 0.000 0.364 40 F C -0.148 175.652 175.800 0.001 0.000 1.120 40 F CA -0.720 57.327 58.000 0.079 0.000 1.102 40 F CB 1.176 40.202 39.000 0.044 0.000 1.183 40 F HN 0.251 nan 8.300 nan 0.000 0.476 41 L N 5.729 127.110 121.223 0.263 0.000 2.257 41 L HA 0.585 4.925 4.340 -0.000 0.000 0.290 41 L C -0.848 176.190 176.870 0.279 0.000 1.044 41 L CA -0.489 54.474 54.840 0.206 0.000 0.810 41 L CB 1.065 43.245 42.059 0.202 0.000 1.193 41 L HN 0.293 nan 8.230 nan 0.000 0.425 42 V N 4.628 124.609 119.914 0.112 0.000 2.409 42 V HA 0.293 4.413 4.120 -0.000 0.000 0.291 42 V C -0.313 175.819 176.094 0.064 0.000 1.020 42 V CA -0.884 61.482 62.300 0.111 0.000 0.848 42 V CB 1.535 33.331 31.823 -0.045 0.000 0.990 42 V HN 0.654 nan 8.190 nan 0.000 0.430 43 D N 4.388 124.748 120.400 -0.067 0.000 2.358 43 D HA 0.233 4.873 4.640 -0.000 0.000 0.258 43 D C 0.535 176.715 176.300 -0.201 0.000 1.223 43 D CA 0.050 53.741 54.000 -0.514 0.000 0.886 43 D CB 1.754 42.459 40.800 -0.160 0.000 1.120 43 D HN 0.675 nan 8.370 nan 0.000 0.482 44 A N 3.422 126.136 122.820 -0.176 0.000 2.684 44 A HA 0.243 4.563 4.320 -0.000 0.000 0.288 44 A C 0.798 178.563 177.584 0.302 0.000 1.337 44 A CA -0.479 51.669 52.037 0.185 0.000 0.946 44 A CB 0.005 19.261 19.000 0.426 0.000 1.093 44 A HN 0.406 nan 8.150 nan 0.000 0.543 45 S N -0.189 115.606 115.700 0.159 0.000 2.600 45 S HA 0.125 4.594 4.470 -0.000 0.000 0.265 45 S C 1.365 176.204 174.600 0.397 0.000 1.325 45 S CA -0.346 58.008 58.200 0.256 0.000 1.002 45 S CB 1.133 64.463 63.200 0.216 0.000 0.921 45 S HN 0.606 nan 8.310 nan 0.000 0.554 46 K N 0.804 121.439 120.400 0.391 0.000 2.209 46 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 46 K C 1.999 178.802 176.600 0.339 0.000 1.048 46 K CA 1.019 57.611 56.287 0.509 0.000 0.940 46 K CB -0.346 32.331 32.500 0.295 0.000 0.729 46 K HN 0.654 nan 8.250 nan 0.000 0.451 47 A N 0.948 123.897 122.820 0.215 0.000 1.933 47 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 47 A C 1.950 179.589 177.584 0.092 0.000 1.175 47 A CA 1.199 53.322 52.037 0.143 0.000 0.628 47 A CB -0.327 18.747 19.000 0.124 0.000 0.814 47 A HN 0.256 nan 8.150 nan 0.000 0.444 48 M N -1.273 118.344 119.600 0.028 0.000 2.530 48 M HA -0.046 4.434 4.480 -0.000 0.000 0.261 48 M C 0.546 176.608 176.300 -0.396 0.000 1.067 48 M CA 1.103 56.293 55.300 -0.183 0.000 1.071 48 M CB -1.050 31.370 32.600 -0.301 0.000 1.405 48 M HN 0.486 nan 8.290 nan 0.000 0.478 49 F N -0.095 119.840 119.950 -0.025 0.000 2.653 49 F HA 0.200 4.727 4.527 -0.000 0.000 0.304 49 F C 0.319 176.090 175.800 -0.048 0.000 1.092 49 F CA -0.387 57.553 58.000 -0.100 0.000 1.279 49 F CB 0.283 39.118 39.000 -0.274 0.000 1.044 49 F HN 0.069 nan 8.300 nan 0.000 0.564 50 E N 0.412 120.679 120.200 0.112 0.000 2.113 50 E HA 0.257 4.607 4.350 -0.000 0.000 0.273 50 E C -0.282 176.348 176.600 0.051 0.000 0.924 50 E CA -0.510 55.939 56.400 0.081 0.000 0.764 50 E CB 1.632 31.381 29.700 0.082 0.000 1.104 50 E HN -0.099 nan 8.360 nan 0.000 0.406 51 S N 2.727 118.452 115.700 0.042 0.000 2.564 51 S HA 0.013 4.483 4.470 -0.000 0.000 0.278 51 S C -0.028 174.588 174.600 0.026 0.000 1.333 51 S CA -0.493 57.724 58.200 0.027 0.000 1.048 51 S CB 0.493 63.707 63.200 0.022 0.000 0.900 51 S HN 0.352 nan 8.310 nan 0.000 0.505 52 Q N 2.965 122.778 119.800 0.021 0.000 2.534 52 Q HA 0.165 4.505 4.340 -0.000 0.000 0.223 52 Q C 0.786 176.795 176.000 0.015 0.000 1.239 52 Q CA 0.171 55.987 55.803 0.022 0.000 0.936 52 Q CB 0.025 28.776 28.738 0.021 0.000 1.457 52 Q HN 0.846 nan 8.270 nan 0.000 0.547 53 S N 1.037 116.747 115.700 0.017 0.000 3.198 53 S HA -0.322 4.148 4.470 -0.000 0.000 0.355 53 S C -0.078 174.526 174.600 0.007 0.000 0.799 53 S CA 1.219 59.426 58.200 0.012 0.000 1.258 53 S CB -1.304 61.903 63.200 0.013 0.000 0.811 53 S HN 0.629 nan 8.310 nan 0.000 0.418 54 E N -0.376 119.827 120.200 0.005 0.000 2.423 54 E HA 0.424 4.774 4.350 -0.000 0.000 0.269 54 E C -0.661 175.939 176.600 -0.001 0.000 0.948 54 E CA -1.146 55.254 56.400 0.000 0.000 0.802 54 E CB 0.627 30.326 29.700 -0.003 0.000 1.339 54 E HN 0.029 nan 8.360 nan 0.000 0.445 55 D N 1.054 121.451 120.400 -0.005 0.000 2.494 55 D HA 0.001 4.641 4.640 -0.000 0.000 0.249 55 D C -0.359 175.935 176.300 -0.010 0.000 1.223 55 D CA 0.577 54.573 54.000 -0.006 0.000 0.865 55 D CB 0.164 40.959 40.800 -0.008 0.000 0.974 55 D HN 0.224 nan 8.370 nan 0.000 0.491 56 E N -0.077 120.117 120.200 -0.009 0.000 2.250 56 E HA 0.365 4.715 4.350 -0.000 0.000 0.265 56 E C -0.281 176.314 176.600 -0.008 0.000 1.033 56 E CA -0.610 55.782 56.400 -0.013 0.000 0.888 56 E CB 1.155 30.846 29.700 -0.015 0.000 1.151 56 E HN -0.015 nan 8.360 nan 0.000 0.412 57 L N 1.050 122.265 121.223 -0.014 0.000 2.456 57 L HA 0.355 4.694 4.340 -0.000 0.000 0.257 57 L C 0.568 177.436 176.870 -0.004 0.000 1.162 57 L CA -0.757 54.078 54.840 -0.008 0.000 0.808 57 L CB 0.715 42.763 42.059 -0.020 0.000 1.136 57 L HN 0.662 nan 8.230 nan 0.000 0.466 58 T N -2.221 112.338 114.554 0.009 0.000 2.918 58 T HA 0.133 4.483 4.350 -0.000 0.000 0.302 58 T C -1.653 173.034 174.700 -0.022 0.000 1.045 58 T CA -1.524 60.580 62.100 0.006 0.000 1.114 58 T CB 0.908 69.796 68.868 0.032 0.000 0.965 58 T HN 0.461 nan 8.240 nan 0.000 0.540 59 P HA -0.172 nan 4.420 nan 0.000 0.217 59 P C 1.319 178.560 177.300 -0.099 0.000 1.148 59 P CA 0.986 64.058 63.100 -0.047 0.000 0.828 59 P CB -0.084 31.603 31.700 -0.021 0.000 0.783 60 F N 1.773 121.517 119.950 -0.342 0.000 2.075 60 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 60 F C 2.092 177.707 175.800 -0.308 0.000 1.113 60 F CA 1.906 59.624 58.000 -0.471 0.000 1.218 60 F CB -0.924 37.531 39.000 -0.908 0.000 0.984 60 F HN -0.185 nan 8.300 nan 0.000 0.472 61 D N 0.176 120.541 120.400 -0.058 0.000 2.116 61 D HA -0.236 4.404 4.640 -0.000 0.000 0.193 61 D C 2.328 178.506 176.300 -0.203 0.000 0.998 61 D CA 1.853 55.795 54.000 -0.096 0.000 0.836 61 D CB -0.282 40.527 40.800 0.015 0.000 0.951 61 D HN 0.338 nan 8.370 nan 0.000 0.449 62 M N -0.096 119.410 119.600 -0.157 0.000 2.082 62 M HA -0.201 4.278 4.480 -0.000 0.000 0.258 62 M C 2.436 178.590 176.300 -0.243 0.000 1.071 62 M CA 1.429 56.643 55.300 -0.143 0.000 1.103 62 M CB -0.452 32.103 32.600 -0.074 0.000 1.307 62 M HN -0.057 nan 8.290 nan 0.000 0.409 63 S N 0.859 116.361 115.700 -0.330 0.000 2.377 63 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 63 S C 1.847 175.982 174.600 -0.776 0.000 1.042 63 S CA 1.477 59.279 58.200 -0.662 0.000 1.086 63 S CB -0.480 62.323 63.200 -0.661 0.000 0.995 63 S HN 0.298 nan 8.310 nan 0.000 0.428 64 I N 1.805 121.946 120.570 -0.715 0.000 2.113 64 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 64 I C 2.573 178.430 176.117 -0.432 0.000 1.064 64 I CA 1.703 62.657 61.300 -0.577 0.000 1.320 64 I CB -1.510 36.190 38.000 -0.501 0.000 1.028 64 I HN 0.441 nan 8.210 nan 0.000 0.406 65 Q N -0.642 118.959 119.800 -0.330 0.000 2.170 65 Q HA -0.205 4.135 4.340 -0.000 0.000 0.203 65 Q C 2.448 178.305 176.000 -0.239 0.000 0.976 65 Q CA 1.611 57.271 55.803 -0.238 0.000 0.858 65 Q CB -0.163 28.476 28.738 -0.165 0.000 0.907 65 Q HN 0.535 nan 8.270 nan 0.000 0.433 66 C N -0.261 118.872 119.300 -0.279 0.000 2.448 66 C HA 0.004 4.464 4.460 -0.000 0.000 0.280 66 C C 2.319 177.123 174.990 -0.310 0.000 1.398 66 C CA 0.161 59.053 59.018 -0.211 0.000 1.774 66 C CB -0.621 27.061 27.740 -0.097 0.000 1.888 66 C HN 0.477 nan 8.230 nan 0.000 0.519 67 I N 0.339 120.601 120.570 -0.512 0.000 2.333 67 I HA -0.183 3.987 4.170 -0.000 0.000 0.246 67 I C 2.576 178.451 176.117 -0.403 0.000 1.106 67 I CA 1.254 62.147 61.300 -0.678 0.000 1.411 67 I CB -0.528 36.957 38.000 -0.858 0.000 1.082 67 I HN 0.369 nan 8.210 nan 0.000 0.420 68 Q N 0.242 119.824 119.800 -0.364 0.000 2.181 68 Q HA -0.166 4.174 4.340 -0.000 0.000 0.205 68 Q C 2.381 178.318 176.000 -0.104 0.000 0.980 68 Q CA 1.611 57.258 55.803 -0.261 0.000 0.862 68 Q CB -0.171 28.439 28.738 -0.213 0.000 0.905 68 Q HN 0.435 nan 8.270 nan 0.000 0.429 69 S N 0.329 115.959 115.700 -0.115 0.000 2.345 69 S HA -0.108 4.362 4.470 -0.000 0.000 0.220 69 S C 2.165 176.761 174.600 -0.007 0.000 1.031 69 S CA 1.205 59.369 58.200 -0.060 0.000 0.996 69 S CB -0.181 62.975 63.200 -0.072 0.000 0.882 69 S HN 0.166 nan 8.310 nan 0.000 0.445 70 V N 0.739 120.657 119.914 0.006 0.000 2.392 70 V HA -0.191 3.929 4.120 -0.000 0.000 0.249 70 V C 1.967 178.137 176.094 0.127 0.000 1.059 70 V CA 1.591 63.941 62.300 0.084 0.000 1.051 70 V CB -0.954 30.969 31.823 0.167 0.000 0.658 70 V HN 0.413 nan 8.190 nan 0.000 0.455 71 Y N 0.065 120.328 120.300 -0.062 0.000 2.114 71 Y HA -0.152 4.398 4.550 -0.000 0.000 0.284 71 Y C 2.371 178.238 175.900 -0.055 0.000 1.143 71 Y CA 1.471 59.551 58.100 -0.032 0.000 1.135 71 Y CB -0.529 37.902 38.460 -0.049 0.000 0.980 71 Y HN 0.139 nan 8.280 nan 0.000 0.499 72 I N -1.511 119.116 120.570 0.096 0.000 2.361 72 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 72 I C 2.420 178.488 176.117 -0.082 0.000 1.133 72 I CA 1.202 62.494 61.300 -0.014 0.000 1.413 72 I CB -0.541 37.441 38.000 -0.030 0.000 1.073 72 I HN 0.112 nan 8.210 nan 0.000 0.424 73 S N 0.688 116.359 115.700 -0.048 0.000 2.348 73 S HA -0.136 4.334 4.470 -0.000 0.000 0.221 73 S C 2.031 176.577 174.600 -0.090 0.000 1.033 73 S CA 1.203 59.361 58.200 -0.070 0.000 1.010 73 S CB -0.025 63.157 63.200 -0.029 0.000 0.891 73 S HN 0.299 nan 8.310 nan 0.000 0.442 74 K N 1.148 121.508 120.400 -0.066 0.000 2.103 74 K HA 0.000 4.320 4.320 -0.000 0.000 0.207 74 K C 1.923 178.465 176.600 -0.097 0.000 1.048 74 K CA 1.000 57.240 56.287 -0.077 0.000 0.930 74 K CB -0.645 31.802 32.500 -0.090 0.000 0.716 74 K HN 0.448 nan 8.250 nan 0.000 0.444 75 I N 0.876 121.377 120.570 -0.116 0.000 2.315 75 I HA -0.230 3.939 4.170 -0.000 0.000 0.248 75 I C 2.045 177.997 176.117 -0.274 0.000 1.117 75 I CA 0.631 61.852 61.300 -0.131 0.000 1.404 75 I CB -0.250 37.689 38.000 -0.100 0.000 1.071 75 I HN -0.005 nan 8.210 nan 0.000 0.419 76 I N 0.874 121.183 120.570 -0.435 0.000 2.179 76 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 76 I C 2.593 178.562 176.117 -0.247 0.000 1.088 76 I CA 1.781 62.677 61.300 -0.674 0.000 1.357 76 I CB -1.403 36.289 38.000 -0.513 0.000 1.051 76 I HN 0.286 nan 8.210 nan 0.000 0.409 77 S N 0.539 116.162 115.700 -0.128 0.000 2.701 77 S HA 0.003 4.473 4.470 -0.000 0.000 0.220 77 S C 0.978 175.574 174.600 -0.006 0.000 0.954 77 S CA 0.381 58.559 58.200 -0.037 0.000 0.936 77 S CB -0.684 62.497 63.200 -0.031 0.000 0.777 77 S HN 0.481 nan 8.310 nan 0.000 0.518 78 S N -0.044 115.651 115.700 -0.008 0.000 3.477 78 S HA -0.210 4.260 4.470 -0.000 0.000 0.357 78 S C -0.140 174.461 174.600 0.001 0.000 1.083 78 S CA 0.944 59.159 58.200 0.025 0.000 1.042 78 S CB -2.428 60.816 63.200 0.074 0.000 0.911 78 S HN 0.760 nan 8.310 nan 0.000 0.490 79 D N 1.319 121.705 120.400 -0.024 0.000 2.399 79 D HA 0.123 4.763 4.640 -0.000 0.000 0.241 79 D C 1.185 177.457 176.300 -0.046 0.000 1.133 79 D CA -0.206 53.775 54.000 -0.032 0.000 0.890 79 D CB 0.478 41.253 40.800 -0.042 0.000 1.201 79 D HN 0.446 nan 8.370 nan 0.000 0.432 80 R N 1.912 122.382 120.500 -0.050 0.000 2.426 80 R HA 0.101 4.440 4.340 -0.000 0.000 0.263 80 R C -0.222 176.011 176.300 -0.112 0.000 0.961 80 R CA -0.454 55.601 56.100 -0.075 0.000 1.086 80 R CB 0.347 30.610 30.300 -0.062 0.000 1.186 80 R HN 0.337 nan 8.270 nan 0.000 0.537 81 D N 1.236 121.575 120.400 -0.101 0.000 2.357 81 D HA 0.120 4.760 4.640 -0.000 0.000 0.242 81 D C 0.237 176.449 176.300 -0.146 0.000 1.153 81 D CA 0.235 54.168 54.000 -0.111 0.000 0.918 81 D CB 1.257 42.004 40.800 -0.089 0.000 1.181 81 D HN -0.015 nan 8.370 nan 0.000 0.435 82 L N 1.330 122.471 121.223 -0.137 0.000 2.309 82 L HA 0.457 4.797 4.340 -0.000 0.000 0.282 82 L C -0.183 176.610 176.870 -0.129 0.000 1.036 82 L CA -0.659 54.096 54.840 -0.142 0.000 0.806 82 L CB 0.873 42.856 42.059 -0.127 0.000 1.220 82 L HN 0.076 nan 8.230 nan 0.000 0.429 83 L N 2.579 123.710 121.223 -0.153 0.000 2.370 83 L HA 0.914 5.254 4.340 -0.000 0.000 0.266 83 L C -0.356 176.508 176.870 -0.010 0.000 1.002 83 L CA -0.546 54.213 54.840 -0.135 0.000 0.818 83 L CB 2.095 43.950 42.059 -0.338 0.000 1.325 83 L HN 0.700 nan 8.230 nan 0.000 0.418 84 A N 1.669 124.525 122.820 0.061 0.000 2.527 84 A HA 0.908 5.228 4.320 -0.000 0.000 0.293 84 A C -1.446 176.277 177.584 0.231 0.000 1.117 84 A CA -0.571 51.529 52.037 0.104 0.000 0.723 84 A CB 2.217 21.183 19.000 -0.057 0.000 1.313 84 A HN 0.346 nan 8.150 nan 0.000 0.411 85 V N 1.133 121.154 119.914 0.178 0.000 2.482 85 V HA 0.559 4.679 4.120 -0.000 0.000 0.295 85 V C -0.953 175.118 176.094 -0.037 0.000 1.026 85 V CA -0.402 61.950 62.300 0.086 0.000 0.856 85 V CB 1.404 33.302 31.823 0.124 0.000 1.001 85 V HN 0.728 nan 8.190 nan 0.000 0.424 86 V N 5.511 125.310 119.914 -0.191 0.000 2.577 86 V HA 0.585 4.705 4.120 -0.000 0.000 0.303 86 V C -0.890 175.070 176.094 -0.223 0.000 1.042 86 V CA -0.587 61.658 62.300 -0.093 0.000 0.872 86 V CB 1.820 33.673 31.823 0.051 0.000 0.998 86 V HN 0.655 nan 8.190 nan 0.000 0.423 87 F N 4.414 124.574 119.950 0.350 0.000 2.458 87 F HA 0.795 5.322 4.527 -0.000 0.000 0.330 87 F C -0.070 175.948 175.800 0.363 0.000 1.082 87 F CA -0.713 57.487 58.000 0.333 0.000 0.995 87 F CB 1.547 40.791 39.000 0.407 0.000 1.170 87 F HN 0.626 nan 8.300 nan 0.000 0.478 88 Y N -1.493 119.006 120.300 0.332 0.000 2.634 88 Y HA 0.732 5.282 4.550 -0.000 0.000 0.340 88 Y C 0.498 176.473 175.900 0.124 0.000 1.058 88 Y CA -1.684 56.519 58.100 0.172 0.000 1.081 88 Y CB 1.633 40.092 38.460 -0.003 0.000 1.295 88 Y HN 0.853 nan 8.280 nan 0.000 0.487 89 G N 0.499 109.419 108.800 0.201 0.000 2.143 89 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 89 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 89 G C 0.035 175.075 174.900 0.233 0.000 0.991 89 G CA 0.427 45.677 45.100 0.249 0.000 0.689 89 G HN 1.267 nan 8.290 nan 0.000 0.522 90 T N -3.247 111.445 114.554 0.231 0.000 2.824 90 T HA 0.665 5.014 4.350 -0.000 0.000 0.277 90 T C 1.024 175.791 174.700 0.111 0.000 0.975 90 T CA 0.376 62.568 62.100 0.152 0.000 0.966 90 T CB 2.206 71.144 68.868 0.118 0.000 1.054 90 T HN 0.138 nan 8.240 nan 0.000 0.533 91 E N 0.162 120.375 120.200 0.022 0.000 2.075 91 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 91 E C 0.591 177.223 176.600 0.054 0.000 0.969 91 E CA 0.469 56.881 56.400 0.021 0.000 0.815 91 E CB 0.223 29.901 29.700 -0.037 0.000 0.776 91 E HN 0.526 nan 8.360 nan 0.000 0.457 92 K N 1.137 121.562 120.400 0.042 0.000 2.155 92 K HA 0.096 4.416 4.320 -0.000 0.000 0.237 92 K C -0.044 176.707 176.600 0.251 0.000 1.040 92 K CA -0.120 56.240 56.287 0.122 0.000 0.912 92 K CB 0.576 33.142 32.500 0.110 0.000 1.137 92 K HN 0.177 nan 8.250 nan 0.000 0.498 93 D N -0.149 120.423 120.400 0.287 0.000 2.583 93 D HA 0.286 4.926 4.640 -0.000 0.000 0.248 93 D C -1.222 175.146 176.300 0.113 0.000 1.209 93 D CA -0.727 53.438 54.000 0.274 0.000 0.848 93 D CB 2.214 43.138 40.800 0.206 0.000 1.431 93 D HN 0.372 nan 8.370 nan 0.000 0.436 94 K N 0.848 121.227 120.400 -0.034 0.000 2.713 94 K HA 0.218 4.538 4.320 -0.000 0.000 0.304 94 K C -2.209 174.336 176.600 -0.092 0.000 1.240 94 K CA -0.361 55.802 56.287 -0.208 0.000 1.080 94 K CB 0.167 32.242 32.500 -0.710 0.000 1.387 94 K HN 0.679 nan 8.250 nan 0.000 0.527 95 N N -0.211 118.500 118.700 0.018 0.000 2.405 95 N HA 0.119 4.859 4.740 -0.000 0.000 0.274 95 N C 0.579 176.132 175.510 0.071 0.000 1.170 95 N CA -0.443 52.656 53.050 0.082 0.000 0.848 95 N CB 1.605 40.207 38.487 0.192 0.000 1.629 95 N HN 0.173 nan 8.380 nan 0.000 0.481 96 S N 0.239 115.994 115.700 0.091 0.000 2.408 96 S HA -0.308 4.162 4.470 -0.000 0.000 0.241 96 S C 1.263 175.877 174.600 0.024 0.000 1.080 96 S CA 1.793 60.040 58.200 0.078 0.000 1.109 96 S CB -1.100 62.180 63.200 0.133 0.000 0.966 96 S HN 1.259 nan 8.310 nan 0.000 0.449 97 V N -1.848 118.043 119.914 -0.039 0.000 2.993 97 V HA 0.502 4.622 4.120 -0.000 0.000 0.377 97 V C 0.128 176.069 176.094 -0.256 0.000 1.318 97 V CA -0.314 61.840 62.300 -0.242 0.000 1.312 97 V CB -1.607 29.858 31.823 -0.596 0.000 1.342 97 V HN 0.356 nan 8.190 nan 0.000 0.544 98 N N 0.697 119.353 118.700 -0.074 0.000 2.693 98 N HA -0.244 4.496 4.740 -0.000 0.000 0.250 98 N C -0.192 175.375 175.510 0.095 0.000 1.033 98 N CA 0.977 54.032 53.050 0.009 0.000 0.747 98 N CB -1.554 36.934 38.487 0.001 0.000 0.964 98 N HN 0.810 nan 8.380 nan 0.000 0.540 99 F N 0.350 120.322 119.950 0.036 0.000 2.539 99 F HA 0.022 4.549 4.527 -0.000 0.000 0.340 99 F C 1.441 177.289 175.800 0.081 0.000 1.185 99 F CA -0.340 57.683 58.000 0.039 0.000 1.333 99 F CB 0.551 39.585 39.000 0.056 0.000 1.152 99 F HN -0.128 nan 8.300 nan 0.000 0.602 100 K N 1.552 122.133 120.400 0.303 0.000 2.118 100 K HA 0.229 4.549 4.320 -0.000 0.000 0.267 100 K C -0.090 176.640 176.600 0.217 0.000 0.991 100 K CA -0.419 55.993 56.287 0.208 0.000 0.916 100 K CB 0.980 33.569 32.500 0.148 0.000 1.041 100 K HN 0.669 nan 8.250 nan 0.000 0.455 101 N N -0.053 118.780 118.700 0.222 0.000 2.909 101 N HA -0.203 4.537 4.740 -0.000 0.000 0.242 101 N C -1.073 174.626 175.510 0.314 0.000 0.975 101 N CA 0.728 53.932 53.050 0.257 0.000 0.921 101 N CB -1.224 37.438 38.487 0.291 0.000 1.112 101 N HN 0.429 nan 8.380 nan 0.000 0.581 102 I N 0.475 121.236 120.570 0.317 0.000 2.362 102 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 102 I C -0.680 175.655 176.117 0.365 0.000 0.994 102 I CA -0.791 60.722 61.300 0.355 0.000 1.158 102 I CB 0.944 39.141 38.000 0.328 0.000 1.315 102 I HN 0.020 nan 8.210 nan 0.000 0.451 103 Y N 6.320 126.795 120.300 0.291 0.000 2.328 103 Y HA 0.482 5.032 4.550 -0.000 0.000 0.333 103 Y C -0.532 175.554 175.900 0.311 0.000 0.958 103 Y CA -0.688 57.578 58.100 0.276 0.000 1.167 103 Y CB 1.490 40.109 38.460 0.264 0.000 1.151 103 Y HN 0.234 nan 8.280 nan 0.000 0.470 104 V N 8.803 128.753 119.914 0.060 0.000 2.304 104 V HA 0.018 4.138 4.120 -0.000 0.000 0.262 104 V C 0.774 176.964 176.094 0.160 0.000 1.061 104 V CA -0.132 62.245 62.300 0.128 0.000 0.872 104 V CB 0.589 32.439 31.823 0.045 0.000 1.077 104 V HN 0.879 nan 8.190 nan 0.000 0.480 105 L N 4.631 126.124 121.223 0.449 0.000 2.027 105 L HA 0.043 4.383 4.340 -0.000 0.000 0.206 105 L C 0.996 178.052 176.870 0.310 0.000 1.074 105 L CA 1.901 57.062 54.840 0.535 0.000 0.745 105 L CB 0.088 42.591 42.059 0.741 0.000 0.898 105 L HN 0.673 nan 8.230 nan 0.000 0.433 106 Q N 0.079 120.025 119.800 0.243 0.000 2.285 106 Q HA 0.345 4.685 4.340 -0.000 0.000 0.269 106 Q C -0.981 175.094 176.000 0.124 0.000 1.030 106 Q CA -0.426 55.488 55.803 0.185 0.000 0.788 106 Q CB 2.060 30.936 28.738 0.230 0.000 1.266 106 Q HN 0.233 nan 8.270 nan 0.000 0.438 107 E N 1.334 121.585 120.200 0.085 0.000 2.342 107 E HA 0.279 4.629 4.350 -0.000 0.000 0.257 107 E C -0.450 176.165 176.600 0.024 0.000 1.150 107 E CA -0.631 55.789 56.400 0.035 0.000 0.926 107 E CB 0.960 30.678 29.700 0.031 0.000 1.074 107 E HN 0.372 nan 8.360 nan 0.000 0.449 108 L N 2.282 123.489 121.223 -0.026 0.000 2.628 108 L HA -0.017 4.323 4.340 -0.000 0.000 0.274 108 L C -0.040 176.828 176.870 -0.003 0.000 1.209 108 L CA 0.773 55.592 54.840 -0.035 0.000 0.930 108 L CB -0.182 41.846 42.059 -0.051 0.000 1.183 108 L HN 0.586 nan 8.230 nan 0.000 0.492 109 D N 1.663 122.045 120.400 -0.029 0.000 2.764 109 D HA 0.203 4.843 4.640 -0.000 0.000 0.293 109 D C -1.082 175.168 176.300 -0.084 0.000 1.287 109 D CA -0.641 53.338 54.000 -0.035 0.000 0.768 109 D CB 1.095 41.912 40.800 0.028 0.000 1.288 109 D HN 0.230 nan 8.370 nan 0.000 0.426 110 N N 1.061 119.711 118.700 -0.083 0.000 2.503 110 N HA 0.338 5.077 4.740 -0.000 0.000 0.267 110 N C -2.129 173.339 175.510 -0.071 0.000 1.214 110 N CA -0.608 52.383 53.050 -0.099 0.000 0.959 110 N CB 0.591 39.032 38.487 -0.076 0.000 1.142 110 N HN 0.296 nan 8.380 nan 0.000 0.455 111 P HA 0.208 nan 4.420 nan 0.000 0.276 111 P C -0.358 176.971 177.300 0.048 0.000 1.230 111 P CA -0.221 62.844 63.100 -0.057 0.000 0.776 111 P CB 0.845 32.455 31.700 -0.150 0.000 0.888 112 G N 0.524 109.396 108.800 0.121 0.000 2.672 112 G HA2 0.472 4.432 3.960 -0.000 0.000 0.292 112 G HA3 0.472 4.432 3.960 -0.000 0.000 0.292 112 G C 0.669 175.627 174.900 0.097 0.000 1.375 112 G CA -0.166 44.989 45.100 0.092 0.000 0.890 112 G HN 0.389 nan 8.290 nan 0.000 0.476 113 A N 0.485 123.345 122.820 0.068 0.000 1.873 113 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 113 A C 2.177 179.783 177.584 0.037 0.000 1.193 113 A CA 2.228 54.295 52.037 0.049 0.000 0.629 113 A CB -0.522 18.500 19.000 0.037 0.000 0.826 113 A HN 0.641 nan 8.150 nan 0.000 0.447 114 K N -0.857 119.566 120.400 0.039 0.000 2.097 114 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 114 K C 2.318 178.935 176.600 0.028 0.000 1.049 114 K CA 1.334 57.638 56.287 0.027 0.000 0.933 114 K CB -0.188 32.333 32.500 0.036 0.000 0.717 114 K HN 0.404 nan 8.250 nan 0.000 0.442 115 R N 0.684 121.225 120.500 0.068 0.000 2.073 115 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 115 R C 2.349 178.631 176.300 -0.031 0.000 1.134 115 R CA 1.280 57.428 56.100 0.080 0.000 0.952 115 R CB -0.379 30.062 30.300 0.237 0.000 0.850 115 R HN 0.198 nan 8.270 nan 0.000 0.433 116 I N 0.818 121.380 120.570 -0.014 0.000 2.179 116 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 116 I C 2.455 178.502 176.117 -0.118 0.000 1.088 116 I CA 0.858 62.096 61.300 -0.104 0.000 1.357 116 I CB -0.322 37.663 38.000 -0.024 0.000 1.051 116 I HN 0.137 nan 8.210 nan 0.000 0.409 117 L N 1.194 122.373 121.223 -0.073 0.000 2.013 117 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 117 L C 2.472 179.257 176.870 -0.141 0.000 1.073 117 L CA 2.117 56.905 54.840 -0.086 0.000 0.753 117 L CB -0.653 41.374 42.059 -0.053 0.000 0.890 117 L HN 0.283 nan 8.230 nan 0.000 0.432 118 E N -0.449 119.671 120.200 -0.133 0.000 2.023 118 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 118 E C 2.262 178.655 176.600 -0.343 0.000 1.003 118 E CA 2.059 58.340 56.400 -0.198 0.000 0.809 118 E CB -0.386 29.265 29.700 -0.082 0.000 0.755 118 E HN 0.596 nan 8.360 nan 0.000 0.449 119 L N 0.800 121.878 121.223 -0.241 0.000 2.043 119 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 119 L C 2.444 179.167 176.870 -0.244 0.000 1.075 119 L CA 1.635 56.346 54.840 -0.215 0.000 0.752 119 L CB -0.466 41.429 42.059 -0.274 0.000 0.891 119 L HN 0.295 nan 8.230 nan 0.000 0.432 120 D N -0.637 119.629 120.400 -0.223 0.000 2.221 120 D HA -0.208 4.432 4.640 -0.000 0.000 0.204 120 D C 2.085 178.282 176.300 -0.171 0.000 0.982 120 D CA 0.869 54.771 54.000 -0.164 0.000 0.857 120 D CB 0.115 40.837 40.800 -0.129 0.000 0.934 120 D HN 0.184 nan 8.370 nan 0.000 0.475 121 Q N -0.950 118.657 119.800 -0.321 0.000 2.500 121 Q HA -0.052 4.288 4.340 -0.000 0.000 0.213 121 Q C 0.886 176.782 176.000 -0.173 0.000 0.974 121 Q CA 0.557 56.168 55.803 -0.320 0.000 0.918 121 Q CB -0.183 28.277 28.738 -0.463 0.000 0.980 121 Q HN 0.552 nan 8.270 nan 0.000 0.505 122 F N -0.305 119.684 119.950 0.065 0.000 2.661 122 F HA 0.221 4.748 4.527 -0.000 0.000 0.306 122 F C 0.987 176.866 175.800 0.130 0.000 1.094 122 F CA -0.672 57.419 58.000 0.152 0.000 1.254 122 F CB 0.791 39.915 39.000 0.208 0.000 1.040 122 F HN -0.177 nan 8.300 nan 0.000 0.562 123 K N 1.208 121.709 120.400 0.167 0.000 2.118 123 K HA 0.534 4.854 4.320 -0.000 0.000 0.264 123 K C 0.604 177.256 176.600 0.087 0.000 1.000 123 K CA 0.501 56.835 56.287 0.079 0.000 0.929 123 K CB 0.978 33.471 32.500 -0.010 0.000 1.021 123 K HN 0.217 nan 8.250 nan 0.000 0.463 124 G N 1.553 110.392 108.800 0.065 0.000 2.860 124 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.553 124 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.553 124 G C 0.338 175.284 174.900 0.077 0.000 1.439 124 G CA 0.308 45.440 45.100 0.053 0.000 0.879 124 G HN 0.770 nan 8.290 nan 0.000 0.545 125 Q N -0.558 119.272 119.800 0.050 0.000 2.079 125 Q HA -0.143 4.196 4.340 -0.000 0.000 0.200 125 Q C 2.739 178.762 176.000 0.038 0.000 0.974 125 Q CA 2.148 57.977 55.803 0.043 0.000 0.840 125 Q CB -0.170 28.581 28.738 0.022 0.000 0.898 125 Q HN 0.757 nan 8.270 nan 0.000 0.430 126 Q N -0.936 118.884 119.800 0.034 0.000 2.135 126 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 126 Q C 1.941 177.978 176.000 0.062 0.000 0.981 126 Q CA 1.233 57.054 55.803 0.030 0.000 0.856 126 Q CB -0.226 28.525 28.738 0.022 0.000 0.902 126 Q HN 0.478 nan 8.270 nan 0.000 0.425 127 G N 0.523 109.383 108.800 0.100 0.000 2.484 127 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 127 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 127 G C 1.247 176.303 174.900 0.260 0.000 1.130 127 G CA 0.216 45.430 45.100 0.190 0.000 0.784 127 G HN 0.252 nan 8.290 nan 0.000 0.543 128 Q N 0.215 120.108 119.800 0.155 0.000 2.079 128 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 128 Q C 2.422 178.380 176.000 -0.070 0.000 0.974 128 Q CA 1.295 57.133 55.803 0.058 0.000 0.840 128 Q CB -0.052 28.705 28.738 0.032 0.000 0.898 128 Q HN 0.446 nan 8.270 nan 0.000 0.430 129 K N -0.000 120.371 120.400 -0.048 0.000 2.026 129 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 129 K C 2.205 178.773 176.600 -0.053 0.000 1.048 129 K CA 1.356 57.589 56.287 -0.090 0.000 0.929 129 K CB -0.183 32.286 32.500 -0.052 0.000 0.713 129 K HN 0.086 nan 8.250 nan 0.000 0.439 130 R N -0.076 120.455 120.500 0.052 0.000 2.103 130 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 130 R C 2.226 178.582 176.300 0.093 0.000 1.142 130 R CA 1.851 58.020 56.100 0.116 0.000 0.960 130 R CB -0.378 30.056 30.300 0.224 0.000 0.858 130 R HN 0.196 nan 8.270 nan 0.000 0.439 131 F N 1.663 121.544 119.950 -0.115 0.000 2.084 131 F HA -0.214 4.313 4.527 -0.000 0.000 0.296 131 F C 2.398 177.892 175.800 -0.511 0.000 1.111 131 F CA 1.400 59.048 58.000 -0.587 0.000 1.224 131 F CB -0.139 38.353 39.000 -0.846 0.000 0.991 131 F HN -0.044 nan 8.300 nan 0.000 0.471 132 Q N 0.619 120.201 119.800 -0.363 0.000 2.029 132 Q HA -0.257 4.083 4.340 -0.000 0.000 0.209 132 Q C 1.965 177.754 176.000 -0.352 0.000 0.999 132 Q CA 2.124 57.666 55.803 -0.435 0.000 0.857 132 Q CB -0.978 27.497 28.738 -0.440 0.000 0.926 132 Q HN 0.510 nan 8.270 nan 0.000 0.415 133 D N 0.461 120.710 120.400 -0.253 0.000 2.106 133 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 133 D C 1.927 178.090 176.300 -0.229 0.000 0.997 133 D CA 1.308 55.196 54.000 -0.187 0.000 0.834 133 D CB -0.311 40.420 40.800 -0.116 0.000 0.956 133 D HN 0.222 nan 8.370 nan 0.000 0.448 134 M N -0.545 118.879 119.600 -0.294 0.000 2.086 134 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 134 M C 0.662 176.683 176.300 -0.465 0.000 1.067 134 M CA 1.472 56.575 55.300 -0.328 0.000 1.116 134 M CB 0.159 32.569 32.600 -0.316 0.000 1.348 134 M HN -0.118 nan 8.290 nan 0.000 0.407 135 M N 0.628 119.786 119.600 -0.736 0.000 3.124 135 M HA 0.298 4.778 4.480 -0.000 0.000 0.298 135 M C 0.068 176.054 176.300 -0.524 0.000 1.403 135 M CA -0.531 54.360 55.300 -0.682 0.000 0.651 135 M CB 0.703 32.696 32.600 -1.012 0.000 1.412 135 M HN 0.210 nan 8.290 nan 0.000 0.477 136 G N 2.010 110.617 108.800 -0.321 0.000 2.411 136 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.256 136 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.256 136 G C 0.490 175.358 174.900 -0.053 0.000 0.757 136 G CA 0.157 45.164 45.100 -0.155 0.000 0.985 136 G HN 0.745 nan 8.290 nan 0.000 0.334 137 H N 1.851 120.808 119.070 -0.189 0.000 1.964 137 H HA 0.359 4.915 4.556 -0.000 0.000 0.305 137 H C 1.355 176.696 175.328 0.021 0.000 1.823 137 H CA -0.447 55.589 56.048 -0.022 0.000 1.402 137 H CB -0.713 29.025 29.762 -0.041 0.000 1.726 137 H HN 1.447 nan 8.280 nan 0.000 0.586 138 G N 0.362 109.096 108.800 -0.110 0.000 2.195 138 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.256 138 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.256 138 G C -0.701 174.168 174.900 -0.051 0.000 0.817 138 G CA 0.818 45.840 45.100 -0.130 0.000 1.235 138 G HN 0.721 nan 8.290 nan 0.000 0.358 139 S N 0.444 116.203 115.700 0.098 0.000 2.588 139 S HA 0.523 4.993 4.470 -0.000 0.000 0.275 139 S C -0.243 174.471 174.600 0.189 0.000 1.130 139 S CA -0.711 57.556 58.200 0.113 0.000 0.855 139 S CB 2.011 65.285 63.200 0.124 0.000 1.116 139 S HN 0.684 nan 8.310 nan 0.000 0.472 140 D N 0.296 120.758 120.400 0.103 0.000 2.361 140 D HA 0.490 5.130 4.640 -0.000 0.000 0.239 140 D C -0.788 175.615 176.300 0.172 0.000 1.200 140 D CA 0.804 54.824 54.000 0.033 0.000 0.915 140 D CB 0.288 41.087 40.800 -0.000 0.000 1.170 140 D HN 0.491 nan 8.370 nan 0.000 0.444 141 Y N -1.910 118.486 120.300 0.160 0.000 2.810 141 Y HA 0.432 4.982 4.550 -0.000 0.000 0.355 141 Y C -1.792 174.256 175.900 0.246 0.000 1.211 141 Y CA -1.248 56.967 58.100 0.191 0.000 1.112 141 Y CB 0.288 38.925 38.460 0.296 0.000 1.383 141 Y HN 0.292 nan 8.280 nan 0.000 0.458 142 S N 1.337 117.322 115.700 0.475 0.000 2.619 142 S HA 0.464 4.934 4.470 -0.000 0.000 0.280 142 S C -0.113 174.726 174.600 0.399 0.000 1.150 142 S CA -0.869 57.572 58.200 0.401 0.000 0.978 142 S CB 1.327 64.510 63.200 -0.029 0.000 1.041 142 S HN 0.974 nan 8.310 nan 0.000 0.485 143 L N 2.411 123.951 121.223 0.528 0.000 2.081 143 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 143 L C 2.813 179.766 176.870 0.139 0.000 1.080 143 L CA 1.905 56.874 54.840 0.214 0.000 0.754 143 L CB -0.984 41.215 42.059 0.233 0.000 0.893 143 L HN 0.901 nan 8.230 nan 0.000 0.433 144 S N -0.148 115.638 115.700 0.142 0.000 2.359 144 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 144 S C 1.672 176.327 174.600 0.091 0.000 1.039 144 S CA 1.479 59.742 58.200 0.106 0.000 1.042 144 S CB -0.561 62.674 63.200 0.059 0.000 0.915 144 S HN 0.494 nan 8.310 nan 0.000 0.439 145 E N 0.953 121.107 120.200 -0.078 0.000 2.085 145 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 145 E C 2.261 178.918 176.600 0.095 0.000 0.994 145 E CA 1.401 57.624 56.400 -0.295 0.000 0.801 145 E CB -0.524 28.705 29.700 -0.786 0.000 0.743 145 E HN 0.402 nan 8.360 nan 0.000 0.453 146 V N 1.809 121.776 119.914 0.088 0.000 2.307 146 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 146 V C 2.422 178.603 176.094 0.145 0.000 1.045 146 V CA 1.221 63.587 62.300 0.111 0.000 1.024 146 V CB -0.422 31.352 31.823 -0.082 0.000 0.651 146 V HN 0.255 nan 8.190 nan 0.000 0.449 147 L N -1.537 119.765 121.223 0.132 0.000 2.079 147 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 147 L C 2.280 179.273 176.870 0.204 0.000 1.081 147 L CA 2.175 57.099 54.840 0.140 0.000 0.752 147 L CB -0.451 41.684 42.059 0.127 0.000 0.896 147 L HN 0.552 nan 8.230 nan 0.000 0.433 148 W N 0.239 121.613 121.300 0.122 0.000 2.379 148 W HA -0.188 4.472 4.660 -0.000 0.000 0.307 148 W C 2.336 178.954 176.519 0.166 0.000 1.200 148 W CA 1.628 59.075 57.345 0.170 0.000 1.297 148 W CB -0.238 29.381 29.460 0.266 0.000 1.140 148 W HN -0.211 nan 8.180 nan 0.000 0.507 149 V N 0.358 120.597 119.914 0.541 0.000 2.324 149 V HA -0.420 3.700 4.120 -0.000 0.000 0.250 149 V C 2.236 178.347 176.094 0.029 0.000 1.060 149 V CA 2.021 64.528 62.300 0.346 0.000 1.042 149 V CB -1.471 30.581 31.823 0.381 0.000 0.650 149 V HN 0.392 nan 8.190 nan 0.000 0.450 150 C N 0.223 119.534 119.300 0.018 0.000 2.446 150 C HA 0.019 4.479 4.460 -0.000 0.000 0.277 150 C C 3.113 178.001 174.990 -0.169 0.000 1.275 150 C CA 0.510 59.458 59.018 -0.117 0.000 1.727 150 C CB -1.377 26.337 27.740 -0.043 0.000 2.010 150 C HN 0.624 nan 8.230 nan 0.000 0.486 151 A N 0.712 123.516 122.820 -0.027 0.000 2.019 151 A HA -0.223 4.096 4.320 -0.000 0.000 0.219 151 A C 2.094 179.614 177.584 -0.107 0.000 1.164 151 A CA 1.889 53.969 52.037 0.071 0.000 0.644 151 A CB -0.795 18.172 19.000 -0.055 0.000 0.805 151 A HN 0.757 nan 8.150 nan 0.000 0.449 152 N N 0.012 118.490 118.700 -0.370 0.000 2.250 152 N HA -0.040 4.700 4.740 -0.000 0.000 0.181 152 N C 1.679 177.059 175.510 -0.218 0.000 1.017 152 N CA 0.960 53.735 53.050 -0.458 0.000 0.866 152 N CB -0.127 37.898 38.487 -0.770 0.000 0.985 152 N HN 0.503 nan 8.380 nan 0.000 0.429 153 L N 0.005 121.093 121.223 -0.225 0.000 2.187 153 L HA -0.149 4.191 4.340 -0.000 0.000 0.213 153 L C 1.939 178.698 176.870 -0.185 0.000 1.100 153 L CA 0.932 55.643 54.840 -0.216 0.000 0.765 153 L CB -0.494 41.386 42.059 -0.297 0.000 0.904 153 L HN 0.153 nan 8.230 nan 0.000 0.437 154 F N -0.310 119.602 119.950 -0.064 0.000 2.074 154 F HA -0.198 4.329 4.527 -0.000 0.000 0.293 154 F C 2.764 178.541 175.800 -0.038 0.000 1.116 154 F CA 1.244 59.218 58.000 -0.045 0.000 1.212 154 F CB -0.470 38.498 39.000 -0.054 0.000 0.998 154 F HN -0.064 nan 8.300 nan 0.000 0.471 155 S N 0.036 115.821 115.700 0.141 0.000 2.380 155 S HA -0.349 4.121 4.470 -0.000 0.000 0.229 155 S C 1.639 176.267 174.600 0.047 0.000 1.050 155 S CA 1.955 60.186 58.200 0.051 0.000 1.100 155 S CB -0.757 62.429 63.200 -0.023 0.000 0.984 155 S HN 0.377 nan 8.310 nan 0.000 0.434 156 D N 1.010 121.425 120.400 0.025 0.000 2.254 156 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 156 D C 0.616 176.954 176.300 0.064 0.000 0.998 156 D CA 0.365 54.383 54.000 0.029 0.000 0.885 156 D CB -0.378 40.430 40.800 0.013 0.000 0.915 156 D HN 0.166 nan 8.370 nan 0.000 0.460 157 V N 1.429 121.406 119.914 0.105 0.000 2.694 157 V HA -0.079 4.041 4.120 -0.000 0.000 0.306 157 V C 1.139 177.315 176.094 0.137 0.000 1.054 157 V CA 0.540 62.948 62.300 0.180 0.000 1.161 157 V CB 1.286 33.243 31.823 0.225 0.000 0.916 157 V HN 0.308 nan 8.190 nan 0.000 0.490 158 Q N 5.226 125.099 119.800 0.121 0.000 2.247 158 Q HA 0.174 4.514 4.340 -0.000 0.000 0.204 158 Q C -0.307 175.544 176.000 -0.248 0.000 0.872 158 Q CA 0.189 55.916 55.803 -0.128 0.000 0.951 158 Q CB 0.181 28.746 28.738 -0.289 0.000 1.099 158 Q HN 0.578 nan 8.270 nan 0.000 0.501 159 F N 1.417 121.374 119.950 0.012 0.000 2.629 159 F HA 0.499 5.026 4.527 -0.000 0.000 0.386 159 F C 0.470 176.271 175.800 0.001 0.000 1.135 159 F CA -1.218 56.786 58.000 0.007 0.000 1.116 159 F CB 0.701 39.707 39.000 0.009 0.000 1.426 159 F HN -0.333 nan 8.300 nan 0.000 0.501 160 K N 1.065 121.597 120.400 0.221 0.000 2.159 160 K HA 0.616 4.936 4.320 -0.000 0.000 0.266 160 K C -1.226 175.414 176.600 0.066 0.000 0.975 160 K CA -0.408 55.936 56.287 0.096 0.000 0.865 160 K CB 1.457 33.991 32.500 0.056 0.000 1.087 160 K HN 0.480 nan 8.250 nan 0.000 0.446 161 M N 2.153 121.760 119.600 0.012 0.000 2.181 161 M HA 0.204 4.684 4.480 -0.000 0.000 0.323 161 M C 1.002 177.243 176.300 -0.097 0.000 1.004 161 M CA -0.229 55.054 55.300 -0.027 0.000 0.941 161 M CB 1.873 34.459 32.600 -0.023 0.000 1.579 161 M HN 0.878 nan 8.290 nan 0.000 0.427 162 S N 1.560 117.205 115.700 -0.092 0.000 2.423 162 S HA 0.000 4.470 4.470 -0.000 0.000 0.231 162 S C 0.368 174.698 174.600 -0.449 0.000 1.014 162 S CA 1.299 59.386 58.200 -0.189 0.000 0.965 162 S CB -0.172 62.997 63.200 -0.051 0.000 0.785 162 S HN 0.805 nan 8.310 nan 0.000 0.495 163 H N -0.900 118.076 119.070 -0.156 0.000 2.974 163 H HA 0.524 5.079 4.556 -0.000 0.000 0.366 163 H C -1.348 173.838 175.328 -0.238 0.000 1.155 163 H CA -0.707 55.208 56.048 -0.222 0.000 1.186 163 H CB 1.536 31.174 29.762 -0.207 0.000 1.799 163 H HN 0.065 nan 8.280 nan 0.000 0.541 164 K N 3.328 123.598 120.400 -0.217 0.000 2.572 164 K HA 0.489 4.809 4.320 -0.000 0.000 0.244 164 K C -0.714 175.771 176.600 -0.192 0.000 0.965 164 K CA -0.617 55.393 56.287 -0.461 0.000 0.943 164 K CB 1.576 33.536 32.500 -0.900 0.000 1.154 164 K HN 0.431 nan 8.250 nan 0.000 0.447 165 R N 2.731 123.261 120.500 0.050 0.000 2.807 165 R HA 0.598 4.938 4.340 -0.000 0.000 0.276 165 R C -0.540 175.880 176.300 0.200 0.000 0.979 165 R CA -0.989 55.184 56.100 0.122 0.000 0.928 165 R CB 1.838 32.149 30.300 0.018 0.000 1.191 165 R HN 0.387 nan 8.270 nan 0.000 0.471 166 I N 1.969 122.619 120.570 0.134 0.000 2.466 166 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 166 I C -0.495 175.630 176.117 0.015 0.000 1.026 166 I CA -0.577 60.768 61.300 0.075 0.000 1.078 166 I CB 2.180 40.249 38.000 0.115 0.000 1.249 166 I HN 0.376 nan 8.210 nan 0.000 0.429 167 M N 7.165 126.760 119.600 -0.009 0.000 2.072 167 M HA 0.393 4.873 4.480 -0.000 0.000 0.331 167 M C -1.539 174.820 176.300 0.098 0.000 1.004 167 M CA -0.994 54.315 55.300 0.015 0.000 0.952 167 M CB 1.318 33.982 32.600 0.107 0.000 1.511 167 M HN 0.426 nan 8.290 nan 0.000 0.422 168 L N 6.334 127.542 121.223 -0.025 0.000 2.260 168 L HA 0.490 4.830 4.340 -0.000 0.000 0.289 168 L C -1.846 174.965 176.870 -0.099 0.000 1.057 168 L CA 0.339 55.202 54.840 0.039 0.000 0.811 168 L CB 0.263 42.333 42.059 0.019 0.000 1.184 168 L HN 0.503 nan 8.230 nan 0.000 0.429 169 F N 4.203 124.190 119.950 0.060 0.000 2.350 169 F HA 0.571 5.098 4.527 -0.000 0.000 0.365 169 F C 0.653 176.471 175.800 0.030 0.000 1.122 169 F CA -0.154 57.852 58.000 0.009 0.000 1.139 169 F CB 1.368 40.349 39.000 -0.033 0.000 1.220 169 F HN 0.519 nan 8.300 nan 0.000 0.499 170 T N 2.539 117.168 114.554 0.124 0.000 3.041 170 T HA 0.213 4.563 4.350 -0.000 0.000 0.321 170 T C -0.067 174.754 174.700 0.202 0.000 1.184 170 T CA -0.860 61.345 62.100 0.176 0.000 1.050 170 T CB 0.768 69.796 68.868 0.266 0.000 1.159 170 T HN 0.580 nan 8.240 nan 0.000 0.469 171 N N 2.638 121.483 118.700 0.241 0.000 2.279 171 N HA 0.145 4.885 4.740 -0.000 0.000 0.226 171 N C -0.263 175.511 175.510 0.440 0.000 1.126 171 N CA -0.292 52.958 53.050 0.334 0.000 0.846 171 N CB 0.507 39.103 38.487 0.182 0.000 1.050 171 N HN 0.538 nan 8.380 nan 0.000 0.502 172 E N 1.276 121.745 120.200 0.448 0.000 2.114 172 E HA 0.151 4.501 4.350 -0.000 0.000 0.266 172 E C 0.054 176.766 176.600 0.186 0.000 0.896 172 E CA -0.614 55.948 56.400 0.271 0.000 0.750 172 E CB 0.868 30.736 29.700 0.282 0.000 1.121 172 E HN 0.186 nan 8.360 nan 0.000 0.413 173 D N 2.806 122.975 120.400 -0.386 0.000 2.323 173 D HA -0.078 4.562 4.640 -0.000 0.000 0.209 173 D C -0.020 176.226 176.300 -0.090 0.000 0.973 173 D CA 0.282 53.843 54.000 -0.732 0.000 0.874 173 D CB 0.136 40.099 40.800 -1.394 0.000 0.930 173 D HN 0.267 nan 8.370 nan 0.000 0.521 174 N N -0.144 118.514 118.700 -0.071 0.000 2.726 174 N HA 0.246 4.986 4.740 -0.000 0.000 0.253 174 N C -2.304 173.083 175.510 -0.205 0.000 1.530 174 N CA -1.442 51.520 53.050 -0.146 0.000 0.772 174 N CB 1.385 39.793 38.487 -0.132 0.000 1.220 174 N HN -0.282 nan 8.380 nan 0.000 0.508 175 P HA -0.120 nan 4.420 nan 0.000 0.216 175 P C -0.286 176.766 177.300 -0.413 0.000 1.154 175 P CA 1.593 64.535 63.100 -0.262 0.000 0.865 175 P CB 0.071 31.627 31.700 -0.239 0.000 0.789 176 H N -2.495 116.324 119.070 -0.419 0.000 2.528 176 H HA 0.353 4.909 4.556 -0.000 0.000 0.256 176 H C 1.501 176.646 175.328 -0.305 0.000 1.204 176 H CA -0.383 55.459 56.048 -0.344 0.000 0.955 176 H CB 0.013 29.570 29.762 -0.343 0.000 1.817 176 H HN 0.067 nan 8.280 nan 0.000 0.579 177 G N 0.431 109.135 108.800 -0.160 0.000 2.598 177 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.215 177 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.215 177 G C 1.147 175.999 174.900 -0.081 0.000 1.131 177 G CA 0.644 45.668 45.100 -0.127 0.000 0.785 177 G HN 0.624 nan 8.290 nan 0.000 0.539 178 N N -1.648 117.010 118.700 -0.070 0.000 2.282 178 N HA 0.052 4.792 4.740 -0.000 0.000 0.185 178 N C -0.044 175.424 175.510 -0.069 0.000 1.099 178 N CA -0.064 52.950 53.050 -0.060 0.000 0.878 178 N CB 0.471 38.926 38.487 -0.053 0.000 0.993 178 N HN -0.026 nan 8.380 nan 0.000 0.481 179 D N 1.504 121.854 120.400 -0.084 0.000 2.456 179 D HA 0.056 4.696 4.640 -0.000 0.000 0.287 179 D C 0.352 176.579 176.300 -0.122 0.000 1.186 179 D CA -0.265 53.664 54.000 -0.118 0.000 0.916 179 D CB 0.856 41.546 40.800 -0.184 0.000 1.029 179 D HN 0.267 nan 8.370 nan 0.000 0.498 180 S N 0.215 115.864 115.700 -0.085 0.000 2.609 180 S HA -0.110 4.360 4.470 -0.000 0.000 0.250 180 S C 1.372 175.932 174.600 -0.067 0.000 0.974 180 S CA 0.681 58.841 58.200 -0.067 0.000 0.962 180 S CB 0.107 63.278 63.200 -0.048 0.000 0.756 180 S HN 0.400 nan 8.310 nan 0.000 0.539 181 A N 1.838 124.599 122.820 -0.098 0.000 1.970 181 A HA 0.314 4.634 4.320 -0.000 0.000 0.204 181 A C 2.084 179.596 177.584 -0.120 0.000 1.325 181 A CA 0.192 52.175 52.037 -0.090 0.000 0.767 181 A CB -0.096 18.850 19.000 -0.091 0.000 0.949 181 A HN 0.394 nan 8.150 nan 0.000 0.481 182 K N 0.508 120.771 120.400 -0.229 0.000 2.026 182 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 182 K C 2.178 178.682 176.600 -0.160 0.000 1.048 182 K CA 1.227 57.304 56.287 -0.350 0.000 0.929 182 K CB -0.344 31.605 32.500 -0.918 0.000 0.713 182 K HN 0.395 nan 8.250 nan 0.000 0.439 183 A N 1.479 124.235 122.820 -0.107 0.000 2.032 183 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 183 A C 2.147 179.805 177.584 0.124 0.000 1.165 183 A CA 2.219 54.280 52.037 0.039 0.000 0.645 183 A CB -0.497 18.462 19.000 -0.069 0.000 0.807 183 A HN 0.335 nan 8.150 nan 0.000 0.453 184 S N -0.514 115.213 115.700 0.044 0.000 2.388 184 S HA -0.037 4.433 4.470 -0.000 0.000 0.223 184 S C 1.954 176.586 174.600 0.054 0.000 1.034 184 S CA 0.762 58.992 58.200 0.050 0.000 0.963 184 S CB -0.302 62.906 63.200 0.013 0.000 0.827 184 S HN 0.617 nan 8.310 nan 0.000 0.481 185 R N 1.510 122.029 120.500 0.032 0.000 2.096 185 R HA 0.042 4.382 4.340 -0.000 0.000 0.235 185 R C 2.621 178.969 176.300 0.080 0.000 1.127 185 R CA 1.233 57.355 56.100 0.037 0.000 0.968 185 R CB -0.591 29.710 30.300 0.002 0.000 0.861 185 R HN 0.481 nan 8.270 nan 0.000 0.440 186 A N 1.145 124.045 122.820 0.133 0.000 1.902 186 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 186 A C 2.075 179.733 177.584 0.124 0.000 1.181 186 A CA 1.235 53.386 52.037 0.190 0.000 0.623 186 A CB -0.332 18.895 19.000 0.378 0.000 0.818 186 A HN 0.226 nan 8.150 nan 0.000 0.443 187 R N -0.985 119.587 120.500 0.120 0.000 2.075 187 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 187 R C 2.323 178.630 176.300 0.011 0.000 1.126 187 R CA 1.768 57.881 56.100 0.023 0.000 0.963 187 R CB -0.767 29.557 30.300 0.040 0.000 0.858 187 R HN 0.530 nan 8.270 nan 0.000 0.435 188 T N 1.188 115.763 114.554 0.035 0.000 2.595 188 T HA -0.187 4.163 4.350 -0.000 0.000 0.264 188 T C 1.707 176.428 174.700 0.036 0.000 1.058 188 T CA 1.563 63.681 62.100 0.029 0.000 1.166 188 T CB -0.228 68.663 68.868 0.038 0.000 0.863 188 T HN 0.062 nan 8.240 nan 0.000 0.415 189 K N 1.722 122.159 120.400 0.062 0.000 2.144 189 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 189 K C 2.135 178.768 176.600 0.056 0.000 1.047 189 K CA 1.760 58.098 56.287 0.085 0.000 0.927 189 K CB -0.909 31.664 32.500 0.121 0.000 0.716 189 K HN 0.328 nan 8.250 nan 0.000 0.454 190 A N -0.313 122.522 122.820 0.025 0.000 1.855 190 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 190 A C 2.474 180.034 177.584 -0.040 0.000 1.191 190 A CA 1.891 53.919 52.037 -0.014 0.000 0.613 190 A CB -1.449 17.517 19.000 -0.057 0.000 0.829 190 A HN 0.464 nan 8.150 nan 0.000 0.442 191 G N -0.161 108.614 108.800 -0.042 0.000 2.507 191 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.221 191 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.221 191 G C 1.144 176.020 174.900 -0.040 0.000 1.119 191 G CA 1.365 46.434 45.100 -0.052 0.000 0.751 191 G HN 0.524 nan 8.290 nan 0.000 0.574 192 D N 0.324 120.719 120.400 -0.009 0.000 2.123 192 D HA -0.021 4.619 4.640 -0.000 0.000 0.200 192 D C 2.718 179.013 176.300 -0.008 0.000 0.976 192 D CA 0.306 54.309 54.000 0.005 0.000 0.831 192 D CB -0.157 40.668 40.800 0.041 0.000 0.974 192 D HN 0.286 nan 8.370 nan 0.000 0.469 193 L N 0.822 122.039 121.223 -0.009 0.000 2.012 193 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 193 L C 2.655 179.489 176.870 -0.061 0.000 1.073 193 L CA 1.291 56.121 54.840 -0.015 0.000 0.748 193 L CB -0.390 41.673 42.059 0.006 0.000 0.891 193 L HN -0.020 nan 8.230 nan 0.000 0.431 194 R N 0.054 120.474 120.500 -0.134 0.000 2.103 194 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 194 R C 1.868 178.100 176.300 -0.114 0.000 1.142 194 R CA 1.727 57.677 56.100 -0.249 0.000 0.960 194 R CB -0.536 29.588 30.300 -0.294 0.000 0.858 194 R HN 0.432 nan 8.270 nan 0.000 0.439 195 D N -0.230 120.131 120.400 -0.065 0.000 2.178 195 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 195 D C 1.438 177.735 176.300 -0.005 0.000 0.980 195 D CA 1.309 55.293 54.000 -0.026 0.000 0.842 195 D CB -0.180 40.610 40.800 -0.017 0.000 0.948 195 D HN 0.202 nan 8.370 nan 0.000 0.472 196 T N -0.807 113.742 114.554 -0.008 0.000 3.113 196 T HA 0.242 4.592 4.350 -0.000 0.000 0.256 196 T C 1.370 176.069 174.700 -0.002 0.000 1.131 196 T CA 0.812 62.906 62.100 -0.010 0.000 1.074 196 T CB 0.350 69.205 68.868 -0.020 0.000 0.944 196 T HN 0.354 nan 8.240 nan 0.000 0.516 197 G N 1.530 110.371 108.800 0.070 0.000 2.131 197 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.223 197 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.223 197 G C 0.060 175.131 174.900 0.285 0.000 0.990 197 G CA -0.425 44.806 45.100 0.219 0.000 0.671 197 G HN 0.549 nan 8.290 nan 0.000 0.521 198 I N 0.848 121.517 120.570 0.165 0.000 2.331 198 I HA 0.540 4.710 4.170 -0.000 0.000 0.292 198 I C -0.176 176.130 176.117 0.315 0.000 0.998 198 I CA -0.803 60.572 61.300 0.123 0.000 1.267 198 I CB 0.782 38.763 38.000 -0.033 0.000 1.386 198 I HN -0.094 nan 8.210 nan 0.000 0.476 199 F N 6.402 126.305 119.950 -0.078 0.000 2.469 199 F HA 0.535 5.062 4.527 -0.000 0.000 0.332 199 F C -0.131 175.654 175.800 -0.026 0.000 1.103 199 F CA -0.983 56.990 58.000 -0.045 0.000 0.979 199 F CB 1.552 40.524 39.000 -0.048 0.000 1.137 199 F HN 0.229 nan 8.300 nan 0.000 0.463 200 L N 3.854 125.118 121.223 0.067 0.000 2.341 200 L HA 0.593 4.933 4.340 -0.000 0.000 0.278 200 L C -1.172 175.695 176.870 -0.005 0.000 1.005 200 L CA -0.353 54.509 54.840 0.037 0.000 0.818 200 L CB 1.129 43.201 42.059 0.022 0.000 1.259 200 L HN 0.480 nan 8.230 nan 0.000 0.418 201 D N 4.753 125.132 120.400 -0.035 0.000 2.350 201 D HA 0.320 4.960 4.640 -0.000 0.000 0.245 201 D C -0.992 175.232 176.300 -0.126 0.000 1.036 201 D CA -0.299 53.643 54.000 -0.098 0.000 0.848 201 D CB 2.879 43.590 40.800 -0.149 0.000 1.307 201 D HN 0.310 nan 8.370 nan 0.000 0.469 202 L N 2.560 123.712 121.223 -0.118 0.000 2.255 202 L HA 0.293 4.633 4.340 -0.000 0.000 0.289 202 L C -0.533 176.249 176.870 -0.147 0.000 1.046 202 L CA -0.205 54.527 54.840 -0.182 0.000 0.816 202 L CB 0.749 42.656 42.059 -0.254 0.000 1.197 202 L HN 0.225 nan 8.230 nan 0.000 0.427 203 M N 5.945 125.361 119.600 -0.307 0.000 3.347 203 M HA 0.227 4.706 4.480 -0.000 0.000 0.260 203 M C -0.377 175.769 176.300 -0.256 0.000 1.362 203 M CA -0.383 54.708 55.300 -0.349 0.000 1.497 203 M CB -0.953 31.067 32.600 -0.967 0.000 1.080 203 M HN 0.577 nan 8.290 nan 0.000 0.592 204 H N 1.253 120.041 119.070 -0.471 0.000 2.848 204 H HA 0.441 4.997 4.556 -0.000 0.000 0.341 204 H C -0.580 174.466 175.328 -0.470 0.000 1.060 204 H CA -0.145 55.462 56.048 -0.735 0.000 1.444 204 H CB 0.597 29.398 29.762 -1.602 0.000 1.446 204 H HN 0.464 nan 8.280 nan 0.000 0.583 205 L N 1.697 122.749 121.223 -0.286 0.000 2.332 205 L HA 0.381 4.721 4.340 -0.000 0.000 0.269 205 L C 0.860 177.702 176.870 -0.047 0.000 1.016 205 L CA -1.317 53.433 54.840 -0.149 0.000 0.809 205 L CB 1.286 43.331 42.059 -0.023 0.000 1.280 205 L HN 0.544 nan 8.230 nan 0.000 0.447 206 K N 1.656 122.043 120.400 -0.022 0.000 2.414 206 K HA 0.157 4.477 4.320 -0.000 0.000 0.272 206 K C -0.748 175.921 176.600 0.115 0.000 0.993 206 K CA 0.196 56.513 56.287 0.050 0.000 0.964 206 K CB 0.638 33.148 32.500 0.017 0.000 0.925 206 K HN 0.491 nan 8.250 nan 0.000 0.487 207 K N 3.990 124.478 120.400 0.146 0.000 2.523 207 K HA 0.331 4.651 4.320 -0.000 0.000 0.257 207 K C -2.696 173.962 176.600 0.098 0.000 0.932 207 K CA -2.120 54.247 56.287 0.133 0.000 0.812 207 K CB 1.789 34.397 32.500 0.180 0.000 1.326 207 K HN 0.414 nan 8.250 nan 0.000 0.433 208 P HA -0.030 nan 4.420 nan 0.000 0.258 208 P C 0.436 177.767 177.300 0.053 0.000 1.187 208 P CA 1.244 64.376 63.100 0.054 0.000 0.767 208 P CB 0.400 32.127 31.700 0.045 0.000 0.770 209 G N 2.146 110.977 108.800 0.051 0.000 2.238 209 G HA2 0.065 4.025 3.960 -0.000 0.000 0.217 209 G HA3 0.065 4.025 3.960 -0.000 0.000 0.217 209 G C 0.407 175.345 174.900 0.064 0.000 0.996 209 G CA 0.084 45.212 45.100 0.047 0.000 0.632 209 G HN 1.015 nan 8.290 nan 0.000 0.503 210 G N -1.014 107.841 108.800 0.092 0.000 2.337 210 G HA2 0.448 4.408 3.960 -0.000 0.000 0.197 210 G HA3 0.448 4.408 3.960 -0.000 0.000 0.197 210 G C -0.730 174.307 174.900 0.227 0.000 1.238 210 G CA -0.050 45.132 45.100 0.136 0.000 1.119 210 G HN 1.749 nan 8.290 nan 0.000 0.514 211 F N 1.433 121.432 119.950 0.082 0.000 3.152 211 F HA 0.435 4.962 4.527 -0.000 0.000 0.367 211 F C -0.943 174.922 175.800 0.107 0.000 1.272 211 F CA -0.760 57.308 58.000 0.113 0.000 1.172 211 F CB 1.520 40.618 39.000 0.163 0.000 1.552 211 F HN 0.506 nan 8.300 nan 0.000 0.616 212 D N 6.629 127.046 120.400 0.028 0.000 2.352 212 D HA 0.192 4.832 4.640 -0.000 0.000 0.245 212 D C 1.278 177.629 176.300 0.086 0.000 1.224 212 D CA 0.204 54.245 54.000 0.069 0.000 0.879 212 D CB 0.882 41.683 40.800 0.001 0.000 1.057 212 D HN 0.688 nan 8.370 nan 0.000 0.491 213 I N 2.355 123.047 120.570 0.204 0.000 2.439 213 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 213 I C 2.310 178.480 176.117 0.087 0.000 1.139 213 I CA 0.616 62.018 61.300 0.170 0.000 1.438 213 I CB -0.148 37.816 38.000 -0.060 0.000 1.085 213 I HN 0.366 nan 8.210 nan 0.000 0.427 214 S N 1.139 116.870 115.700 0.052 0.000 2.547 214 S HA -0.034 4.435 4.470 -0.000 0.000 0.235 214 S C 1.754 176.379 174.600 0.042 0.000 0.980 214 S CA 0.611 58.831 58.200 0.034 0.000 0.941 214 S CB -0.596 62.620 63.200 0.027 0.000 0.763 214 S HN 0.464 nan 8.310 nan 0.000 0.532 215 L N -1.660 119.595 121.223 0.054 0.000 2.418 215 L HA 0.302 4.642 4.340 -0.000 0.000 0.218 215 L C 1.891 178.854 176.870 0.154 0.000 1.125 215 L CA 0.786 55.663 54.840 0.060 0.000 0.835 215 L CB -0.267 41.799 42.059 0.012 0.000 0.953 215 L HN 0.438 nan 8.230 nan 0.000 0.454 216 F N -1.984 117.917 119.950 -0.082 0.000 1.752 216 F HA 0.069 4.596 4.527 -0.000 0.000 0.241 216 F C 1.491 177.172 175.800 -0.199 0.000 1.241 216 F CA -0.549 57.343 58.000 -0.179 0.000 1.308 216 F CB -0.339 38.471 39.000 -0.316 0.000 1.944 216 F HN -0.258 nan 8.300 nan 0.000 0.212 217 Y N 2.335 122.508 120.300 -0.211 0.000 2.538 217 Y HA -0.182 4.368 4.550 -0.000 0.000 0.287 217 Y C 2.645 178.394 175.900 -0.252 0.000 1.157 217 Y CA 1.827 59.731 58.100 -0.326 0.000 1.338 217 Y CB -0.522 37.888 38.460 -0.084 0.000 0.970 217 Y HN 0.192 nan 8.280 nan 0.000 0.564 218 R N 0.922 121.377 120.500 -0.075 0.000 2.096 218 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 218 R C 0.647 176.884 176.300 -0.106 0.000 1.139 218 R CA 2.203 58.263 56.100 -0.067 0.000 0.952 218 R CB -0.273 30.006 30.300 -0.035 0.000 0.854 218 R HN 0.289 nan 8.270 nan 0.000 0.436 219 D N -0.388 119.910 120.400 -0.169 0.000 2.370 219 D HA 0.071 4.711 4.640 -0.000 0.000 0.230 219 D C 1.126 177.290 176.300 -0.226 0.000 1.143 219 D CA 0.359 54.261 54.000 -0.163 0.000 0.834 219 D CB 0.470 41.192 40.800 -0.131 0.000 0.944 219 D HN 0.427 nan 8.370 nan 0.000 0.504 220 I N 0.149 120.571 120.570 -0.246 0.000 4.398 220 I HA 0.069 4.239 4.170 -0.000 0.000 0.310 220 I C 1.181 177.232 176.117 -0.111 0.000 1.232 220 I CA -0.073 61.091 61.300 -0.227 0.000 1.312 220 I CB 0.733 38.499 38.000 -0.391 0.000 1.347 220 I HN -0.088 nan 8.210 nan 0.000 0.454 221 I N -0.084 120.448 120.570 -0.063 0.000 2.938 221 I HA 0.199 4.369 4.170 -0.000 0.000 0.285 221 I C -0.030 176.037 176.117 -0.084 0.000 1.182 221 I CA 0.090 61.365 61.300 -0.041 0.000 1.388 221 I CB 0.665 38.667 38.000 0.005 0.000 1.390 221 I HN -0.086 nan 8.210 nan 0.000 0.600 222 S N 6.007 121.648 115.700 -0.099 0.000 2.480 222 S HA 0.741 5.211 4.470 -0.000 0.000 0.286 222 S C -0.024 174.530 174.600 -0.075 0.000 1.180 222 S CA -0.633 57.471 58.200 -0.160 0.000 1.075 222 S CB 0.992 64.016 63.200 -0.294 0.000 0.996 222 S HN 0.615 nan 8.310 nan 0.000 0.487 232 H N 0.355 119.481 119.070 0.094 0.000 2.544 232 H HA 0.595 5.151 4.556 -0.000 0.000 0.365 232 H C -0.915 174.594 175.328 0.300 0.000 1.268 232 H CA -0.297 55.826 56.048 0.125 0.000 1.400 232 H CB 1.253 31.032 29.762 0.028 0.000 1.538 232 H HN 0.538 nan 8.280 nan 0.000 0.597 233 F N 1.252 121.255 119.950 0.090 0.000 2.450 233 F HA 0.039 4.566 4.527 -0.000 0.000 0.339 233 F C 1.293 177.304 175.800 0.351 0.000 1.146 233 F CA -0.204 57.899 58.000 0.172 0.000 1.267 233 F CB 0.224 39.255 39.000 0.051 0.000 1.178 233 F HN 0.434 nan 8.300 nan 0.000 0.585 234 E N 0.776 121.126 120.200 0.249 0.000 2.369 234 E HA 0.078 4.428 4.350 -0.000 0.000 0.255 234 E C -0.184 176.342 176.600 -0.123 0.000 1.172 234 E CA -0.430 56.041 56.400 0.118 0.000 0.932 234 E CB 0.463 30.160 29.700 -0.004 0.000 1.040 234 E HN 0.596 nan 8.360 nan 0.000 0.454 235 E N -0.270 119.777 120.200 -0.255 0.000 2.373 235 E HA 0.228 4.578 4.350 -0.000 0.000 0.267 235 E C -0.758 175.627 176.600 -0.358 0.000 1.032 235 E CA -0.276 55.744 56.400 -0.634 0.000 0.889 235 E CB 0.586 30.105 29.700 -0.302 0.000 0.984 235 E HN 0.021 nan 8.360 nan 0.000 0.425 236 S N 1.831 117.307 115.700 -0.374 0.000 2.452 236 S HA 0.120 4.590 4.470 -0.000 0.000 0.284 236 S C 0.566 175.090 174.600 -0.127 0.000 1.171 236 S CA -0.321 57.762 58.200 -0.195 0.000 1.064 236 S CB 1.198 64.307 63.200 -0.153 0.000 0.967 236 S HN 0.669 nan 8.310 nan 0.000 0.484 237 S N 2.541 118.188 115.700 -0.087 0.000 2.549 237 S HA 0.299 4.769 4.470 -0.000 0.000 0.225 237 S C 0.137 174.709 174.600 -0.046 0.000 1.039 237 S CA -0.358 57.809 58.200 -0.054 0.000 0.942 237 S CB 0.152 63.328 63.200 -0.039 0.000 0.881 237 S HN 0.522 nan 8.310 nan 0.000 0.503 238 K N 0.659 121.027 120.400 -0.054 0.000 2.318 238 K HA 0.465 4.785 4.320 -0.000 0.000 0.249 238 K C 0.002 176.572 176.600 -0.051 0.000 0.942 238 K CA -0.781 55.477 56.287 -0.049 0.000 0.808 238 K CB 1.854 34.323 32.500 -0.052 0.000 1.189 238 K HN -0.021 nan 8.250 nan 0.000 0.428 239 L N 2.926 124.120 121.223 -0.049 0.000 2.127 239 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 239 L C 1.559 178.397 176.870 -0.052 0.000 1.089 239 L CA 1.924 56.734 54.840 -0.050 0.000 0.757 239 L CB -0.501 41.524 42.059 -0.056 0.000 0.899 239 L HN 0.707 nan 8.230 nan 0.000 0.434 240 E N -0.851 119.314 120.200 -0.059 0.000 2.077 240 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 240 E C 1.517 178.074 176.600 -0.071 0.000 0.989 240 E CA 1.439 57.799 56.400 -0.067 0.000 0.800 240 E CB -0.346 29.310 29.700 -0.072 0.000 0.746 240 E HN 0.577 nan 8.360 nan 0.000 0.452 241 D N 0.709 121.064 120.400 -0.075 0.000 2.234 241 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 241 D C 2.015 178.273 176.300 -0.069 0.000 0.962 241 D CA 0.353 54.299 54.000 -0.091 0.000 0.855 241 D CB -0.023 40.714 40.800 -0.106 0.000 0.951 241 D HN 0.062 nan 8.370 nan 0.000 0.500 242 L N 0.975 122.173 121.223 -0.042 0.000 2.056 242 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 242 L C 2.123 179.012 176.870 0.033 0.000 1.078 242 L CA 1.252 56.094 54.840 0.003 0.000 0.749 242 L CB -0.663 41.414 42.059 0.031 0.000 0.901 242 L HN -0.020 nan 8.230 nan 0.000 0.433 243 L N -0.861 120.364 121.223 0.004 0.000 2.046 243 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 243 L C 2.794 179.665 176.870 0.003 0.000 1.077 243 L CA 1.292 56.135 54.840 0.005 0.000 0.747 243 L CB -0.256 41.786 42.059 -0.028 0.000 0.896 243 L HN 0.286 nan 8.230 nan 0.000 0.432 244 R N -0.231 120.251 120.500 -0.029 0.000 2.105 244 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 244 R C 2.228 178.524 176.300 -0.007 0.000 1.135 244 R CA 1.429 57.501 56.100 -0.047 0.000 0.967 244 R CB -0.182 30.060 30.300 -0.098 0.000 0.861 244 R HN 0.365 nan 8.270 nan 0.000 0.442 245 K N 0.012 120.429 120.400 0.029 0.000 2.103 245 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 245 K C 2.063 178.782 176.600 0.199 0.000 1.052 245 K CA 1.029 57.445 56.287 0.215 0.000 0.945 245 K CB 0.072 32.724 32.500 0.252 0.000 0.722 245 K HN -0.020 nan 8.250 nan 0.000 0.443 246 V N 1.356 121.341 119.914 0.118 0.000 2.270 246 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 246 V C 2.166 178.318 176.094 0.097 0.000 1.043 246 V CA 1.571 63.947 62.300 0.127 0.000 1.014 246 V CB -0.479 31.452 31.823 0.180 0.000 0.645 246 V HN 0.241 nan 8.190 nan 0.000 0.447 247 R N 0.513 121.051 120.500 0.063 0.000 2.103 247 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 247 R C 2.234 178.546 176.300 0.021 0.000 1.142 247 R CA 1.593 57.712 56.100 0.032 0.000 0.960 247 R CB -0.667 29.634 30.300 0.002 0.000 0.858 247 R HN 0.528 nan 8.270 nan 0.000 0.439 248 A N 0.504 123.349 122.820 0.042 0.000 2.248 248 A HA -0.105 4.215 4.320 -0.000 0.000 0.210 248 A C 1.310 178.900 177.584 0.010 0.000 1.174 248 A CA 1.139 53.202 52.037 0.042 0.000 0.750 248 A CB 0.039 19.119 19.000 0.134 0.000 0.780 248 A HN 0.234 nan 8.150 nan 0.000 0.478 249 K N -1.324 119.076 120.400 -0.001 0.000 2.585 249 K HA 0.026 4.346 4.320 -0.000 0.000 0.210 249 K C 1.144 177.720 176.600 -0.040 0.000 1.294 249 K CA 0.626 56.880 56.287 -0.055 0.000 1.025 249 K CB 0.534 32.975 32.500 -0.099 0.000 1.076 249 K HN 0.711 nan 8.250 nan 0.000 0.613 250 E N 0.746 120.952 120.200 0.011 0.000 2.338 250 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 250 E C 0.161 176.744 176.600 -0.029 0.000 1.007 250 E CA 0.895 57.319 56.400 0.039 0.000 0.849 250 E CB 0.111 29.864 29.700 0.088 0.000 0.774 250 E HN -0.145 nan 8.360 nan 0.000 0.506 251 T N -0.290 114.225 114.554 -0.066 0.000 2.907 251 T HA 0.610 4.960 4.350 -0.000 0.000 0.290 251 T C -0.841 173.758 174.700 -0.167 0.000 1.066 251 T CA -0.938 61.101 62.100 -0.103 0.000 1.012 251 T CB 1.731 70.558 68.868 -0.069 0.000 1.184 251 T HN -0.056 nan 8.240 nan 0.000 0.522 252 R N 0.868 121.238 120.500 -0.217 0.000 2.670 252 R HA 0.472 4.812 4.340 -0.000 0.000 0.289 252 R C -0.527 175.678 176.300 -0.159 0.000 0.965 252 R CA -0.949 54.972 56.100 -0.298 0.000 0.899 252 R CB 0.658 30.545 30.300 -0.687 0.000 1.173 252 R HN 0.413 nan 8.270 nan 0.000 0.456 253 K N 2.550 122.875 120.400 -0.124 0.000 2.548 253 K HA -0.131 4.189 4.320 -0.000 0.000 0.277 253 K C -0.325 176.333 176.600 0.096 0.000 1.001 253 K CA 1.104 57.381 56.287 -0.017 0.000 1.102 253 K CB 0.309 32.796 32.500 -0.022 0.000 0.848 253 K HN 0.411 nan 8.250 nan 0.000 0.487 254 R N 1.709 122.322 120.500 0.188 0.000 2.507 254 R HA 0.260 4.600 4.340 -0.000 0.000 0.298 254 R C -0.772 175.646 176.300 0.197 0.000 1.087 254 R CA -0.574 55.620 56.100 0.156 0.000 0.917 254 R CB 1.782 32.133 30.300 0.083 0.000 1.173 254 R HN 0.619 nan 8.270 nan 0.000 0.472 255 A N 2.370 125.213 122.820 0.039 0.000 2.407 255 A HA 0.122 4.442 4.320 -0.000 0.000 0.248 255 A C 0.939 178.424 177.584 -0.166 0.000 1.082 255 A CA -0.389 51.422 52.037 -0.376 0.000 0.785 255 A CB 0.416 19.087 19.000 -0.547 0.000 1.020 255 A HN 0.730 nan 8.150 nan 0.000 0.489 256 L N 1.647 122.769 121.223 -0.168 0.000 2.240 256 L HA 0.119 4.459 4.340 -0.000 0.000 0.211 256 L C 1.043 177.887 176.870 -0.044 0.000 1.106 256 L CA 2.320 57.138 54.840 -0.037 0.000 0.793 256 L CB -0.528 41.547 42.059 0.027 0.000 0.927 256 L HN 1.134 nan 8.230 nan 0.000 0.446 257 S N -1.991 113.650 115.700 -0.099 0.000 2.654 257 S HA 0.543 5.013 4.470 -0.000 0.000 0.267 257 S C -0.871 173.676 174.600 -0.089 0.000 1.151 257 S CA -1.145 57.018 58.200 -0.062 0.000 0.873 257 S CB 1.044 64.237 63.200 -0.012 0.000 1.181 257 S HN 0.130 nan 8.310 nan 0.000 0.489 258 R N -0.113 120.363 120.500 -0.041 0.000 2.564 258 R HA 0.788 5.128 4.340 -0.000 0.000 0.284 258 R C -1.409 174.889 176.300 -0.002 0.000 1.031 258 R CA -0.585 55.500 56.100 -0.024 0.000 0.904 258 R CB 1.751 32.041 30.300 -0.017 0.000 1.199 258 R HN 0.632 nan 8.270 nan 0.000 0.443 259 L N 1.243 122.476 121.223 0.016 0.000 2.341 259 L HA 0.569 4.909 4.340 -0.000 0.000 0.254 259 L C -0.587 176.296 176.870 0.021 0.000 1.040 259 L CA -1.281 53.569 54.840 0.015 0.000 0.837 259 L CB 2.269 44.343 42.059 0.025 0.000 1.425 259 L HN 0.354 nan 8.230 nan 0.000 0.414 260 K N 1.907 122.313 120.400 0.010 0.000 2.262 260 K HA 0.401 4.721 4.320 -0.000 0.000 0.282 260 K C -0.815 175.790 176.600 0.009 0.000 1.066 260 K CA -0.255 56.038 56.287 0.011 0.000 0.901 260 K CB 1.490 33.991 32.500 0.002 0.000 1.089 260 K HN 0.382 nan 8.250 nan 0.000 0.476 261 L N 4.881 126.112 121.223 0.013 0.000 2.315 261 L HA 0.199 4.539 4.340 -0.000 0.000 0.278 261 L C -0.757 176.104 176.870 -0.016 0.000 1.088 261 L CA -0.539 54.296 54.840 -0.009 0.000 0.899 261 L CB 0.039 42.090 42.059 -0.014 0.000 1.277 261 L HN 0.458 nan 8.230 nan 0.000 0.431 262 K N 5.185 125.574 120.400 -0.018 0.000 2.349 262 K HA 0.169 4.489 4.320 -0.000 0.000 0.288 262 K C 0.758 177.343 176.600 -0.024 0.000 1.058 262 K CA -0.315 55.963 56.287 -0.014 0.000 0.953 262 K CB 1.558 34.052 32.500 -0.010 0.000 0.997 262 K HN 0.692 nan 8.250 nan 0.000 0.477 263 L N 2.051 123.266 121.223 -0.013 0.000 2.418 263 L HA -0.069 4.271 4.340 -0.000 0.000 0.218 263 L C 0.382 177.252 176.870 -0.000 0.000 1.125 263 L CA 0.505 55.339 54.840 -0.010 0.000 0.835 263 L CB -0.597 41.470 42.059 0.014 0.000 0.953 263 L HN 0.853 nan 8.230 nan 0.000 0.454 264 N N -3.390 115.311 118.700 0.001 0.000 3.356 264 N HA 0.047 4.787 4.740 -0.000 0.000 0.246 264 N C 0.029 175.541 175.510 0.004 0.000 1.480 264 N CA -0.776 52.277 53.050 0.005 0.000 0.877 264 N CB 0.532 39.026 38.487 0.011 0.000 1.431 264 N HN -0.397 nan 8.380 nan 0.000 0.500 265 K N -0.486 119.917 120.400 0.005 0.000 2.071 265 K HA -0.224 4.096 4.320 -0.000 0.000 0.217 265 K C 0.349 176.952 176.600 0.004 0.000 1.054 265 K CA 2.323 58.612 56.287 0.004 0.000 0.937 265 K CB -0.338 32.165 32.500 0.004 0.000 0.719 265 K HN 0.586 nan 8.250 nan 0.000 0.454 266 D N 0.264 120.668 120.400 0.006 0.000 2.320 266 D HA 0.060 4.700 4.640 -0.000 0.000 0.228 266 D C 0.705 177.011 176.300 0.009 0.000 0.978 266 D CA 0.050 54.054 54.000 0.007 0.000 0.905 266 D CB 0.211 41.015 40.800 0.007 0.000 1.051 266 D HN 0.045 nan 8.370 nan 0.000 0.471 267 I N 2.591 123.168 120.570 0.011 0.000 2.996 267 I HA -0.096 4.074 4.170 -0.000 0.000 0.285 267 I C -0.311 175.814 176.117 0.012 0.000 1.173 267 I CA 0.170 61.478 61.300 0.014 0.000 1.396 267 I CB -0.126 37.883 38.000 0.016 0.000 1.470 267 I HN -0.235 nan 8.210 nan 0.000 0.586 268 V N 7.749 127.671 119.914 0.014 0.000 2.735 268 V HA 0.574 4.694 4.120 -0.000 0.000 0.310 268 V C -0.070 176.038 176.094 0.023 0.000 1.061 268 V CA -0.713 61.596 62.300 0.014 0.000 0.913 268 V CB 2.474 34.303 31.823 0.011 0.000 1.005 268 V HN 0.575 nan 8.190 nan 0.000 0.428 269 I N 1.433 122.021 120.570 0.030 0.000 2.689 269 I HA 0.839 5.009 4.170 -0.000 0.000 0.299 269 I C -0.062 176.087 176.117 0.052 0.000 1.059 269 I CA -0.440 60.889 61.300 0.048 0.000 1.055 269 I CB 2.590 40.635 38.000 0.076 0.000 1.243 269 I HN 0.646 nan 8.210 nan 0.000 0.425 270 S N 5.633 121.363 115.700 0.051 0.000 2.525 270 S HA 0.764 5.233 4.470 -0.000 0.000 0.278 270 S C -0.190 174.451 174.600 0.068 0.000 1.234 270 S CA -0.394 57.835 58.200 0.049 0.000 1.058 270 S CB 1.387 64.608 63.200 0.035 0.000 0.983 270 S HN 1.058 nan 8.310 nan 0.000 0.495 271 V N -0.404 119.556 119.914 0.077 0.000 3.040 271 V HA 0.985 5.105 4.120 -0.000 0.000 0.312 271 V C 0.165 176.306 176.094 0.080 0.000 1.115 271 V CA -0.705 61.659 62.300 0.106 0.000 0.998 271 V CB 1.395 33.323 31.823 0.175 0.000 1.042 271 V HN 1.140 nan 8.190 nan 0.000 0.433 272 G N 2.687 111.556 108.800 0.116 0.000 2.372 272 G HA2 0.648 4.608 3.960 -0.000 0.000 0.323 272 G HA3 0.648 4.608 3.960 -0.000 0.000 0.323 272 G C -0.726 174.095 174.900 -0.132 0.000 1.152 272 G CA -0.661 44.402 45.100 -0.061 0.000 0.906 272 G HN 0.624 nan 8.290 nan 0.000 0.460 273 I N 2.430 122.860 120.570 -0.234 0.000 2.315 273 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 273 I C -0.792 175.197 176.117 -0.214 0.000 1.006 273 I CA -0.889 60.368 61.300 -0.071 0.000 1.265 273 I CB 0.619 38.651 38.000 0.054 0.000 1.387 273 I HN 0.353 nan 8.210 nan 0.000 0.475 274 Y N 4.812 125.236 120.300 0.208 0.000 2.468 274 Y HA 0.352 4.902 4.550 -0.000 0.000 0.342 274 Y C 0.629 176.649 175.900 0.200 0.000 1.021 274 Y CA -1.231 56.991 58.100 0.204 0.000 1.079 274 Y CB 1.231 39.841 38.460 0.250 0.000 1.226 274 Y HN 0.511 nan 8.280 nan 0.000 0.460 275 N N 3.402 122.273 118.700 0.284 0.000 2.707 275 N HA 0.174 4.914 4.740 -0.000 0.000 0.235 275 N C -0.191 175.417 175.510 0.164 0.000 1.028 275 N CA -0.212 52.961 53.050 0.206 0.000 0.906 275 N CB 0.626 39.202 38.487 0.148 0.000 1.131 275 N HN 0.778 nan 8.380 nan 0.000 0.509 276 L N 0.244 121.559 121.223 0.153 0.000 2.275 276 L HA -0.012 4.328 4.340 -0.000 0.000 0.215 276 L C 0.767 177.671 176.870 0.056 0.000 1.119 276 L CA 0.539 55.418 54.840 0.065 0.000 0.790 276 L CB -0.240 41.816 42.059 -0.005 0.000 0.919 276 L HN 0.418 nan 8.230 nan 0.000 0.443 277 V N -2.028 117.936 119.914 0.083 0.000 2.555 277 V HA 0.700 4.820 4.120 -0.000 0.000 0.302 277 V C -0.768 175.371 176.094 0.075 0.000 1.038 277 V CA -0.572 61.772 62.300 0.072 0.000 0.887 277 V CB 1.774 33.646 31.823 0.081 0.000 0.991 277 V HN 0.120 nan 8.190 nan 0.000 0.434 278 Q N 2.748 122.584 119.800 0.060 0.000 2.567 278 Q HA 0.295 4.635 4.340 -0.000 0.000 0.233 278 Q C -0.663 175.366 176.000 0.048 0.000 0.833 278 Q CA -0.269 55.567 55.803 0.056 0.000 0.844 278 Q CB 1.527 30.298 28.738 0.054 0.000 1.423 278 Q HN 0.988 nan 8.270 nan 0.000 0.442 279 K N 2.153 122.581 120.400 0.047 0.000 2.438 279 K HA 0.129 4.449 4.320 -0.000 0.000 0.270 279 K C -0.583 176.043 176.600 0.043 0.000 1.095 279 K CA 0.876 57.189 56.287 0.043 0.000 1.174 279 K CB 0.157 32.679 32.500 0.037 0.000 0.830 279 K HN 0.670 nan 8.250 nan 0.000 0.487 280 A N 6.203 129.052 122.820 0.048 0.000 2.404 280 A HA 0.274 4.594 4.320 -0.000 0.000 0.273 280 A C -0.149 177.473 177.584 0.064 0.000 1.144 280 A CA -0.494 51.577 52.037 0.057 0.000 0.806 280 A CB 0.154 19.190 19.000 0.060 0.000 1.080 280 A HN 0.741 nan 8.150 nan 0.000 0.509 281 L N 1.893 123.154 121.223 0.064 0.000 2.375 281 L HA 0.387 4.727 4.340 -0.000 0.000 0.268 281 L C 0.829 177.741 176.870 0.069 0.000 1.058 281 L CA -0.709 54.160 54.840 0.049 0.000 0.803 281 L CB 1.278 43.355 42.059 0.031 0.000 1.212 281 L HN 0.743 nan 8.230 nan 0.000 0.451 282 K N 4.216 124.614 120.400 -0.003 0.000 2.315 282 K HA 0.202 4.522 4.320 -0.000 0.000 0.291 282 K C -2.107 174.443 176.600 -0.083 0.000 1.074 282 K CA -1.428 54.795 56.287 -0.107 0.000 0.936 282 K CB 0.498 32.832 32.500 -0.276 0.000 1.049 282 K HN 0.258 nan 8.250 nan 0.000 0.471 283 P HA 0.006 nan 4.420 nan 0.000 0.265 283 P C -2.531 174.761 177.300 -0.013 0.000 1.187 283 P CA -0.808 62.325 63.100 0.055 0.000 0.766 283 P CB 0.102 31.903 31.700 0.168 0.000 0.820 284 P HA 0.294 nan 4.420 nan 0.000 0.279 284 P C -2.149 175.162 177.300 0.018 0.000 1.252 284 P CA -1.461 61.635 63.100 -0.007 0.000 0.811 284 P CB -0.519 31.181 31.700 -0.000 0.000 1.035 285 P HA 0.358 nan 4.420 nan 0.000 0.274 285 P C -0.358 176.959 177.300 0.028 0.000 1.246 285 P CA -0.087 63.030 63.100 0.029 0.000 0.795 285 P CB 0.914 32.627 31.700 0.022 0.000 1.006 286 I N -0.144 120.446 120.570 0.033 0.000 2.797 286 I HA 0.358 4.528 4.170 -0.000 0.000 0.307 286 I C 0.535 176.672 176.117 0.033 0.000 1.033 286 I CA -1.262 60.058 61.300 0.034 0.000 1.071 286 I CB 1.959 39.983 38.000 0.040 0.000 1.255 286 I HN 0.178 nan 8.210 nan 0.000 0.445 287 K N 4.200 124.621 120.400 0.036 0.000 2.172 287 K HA 0.703 5.023 4.320 -0.000 0.000 0.276 287 K C -1.252 175.381 176.600 0.055 0.000 1.013 287 K CA -0.358 55.953 56.287 0.040 0.000 0.913 287 K CB 1.317 33.841 32.500 0.039 0.000 1.055 287 K HN 0.361 nan 8.250 nan 0.000 0.461 288 L N 2.170 123.429 121.223 0.060 0.000 2.388 288 L HA 0.341 4.681 4.340 -0.000 0.000 0.264 288 L C -0.802 176.140 176.870 0.119 0.000 0.998 288 L CA -1.235 53.657 54.840 0.087 0.000 0.817 288 L CB 1.108 43.207 42.059 0.066 0.000 1.338 288 L HN 0.516 nan 8.230 nan 0.000 0.414 289 Y N 2.499 122.807 120.300 0.014 0.000 2.644 289 Y HA 0.049 4.599 4.550 -0.000 0.000 0.354 289 Y C 1.641 177.548 175.900 0.012 0.000 1.166 289 Y CA 0.004 58.112 58.100 0.013 0.000 1.591 289 Y CB 0.068 38.536 38.460 0.013 0.000 1.346 289 Y HN 0.603 nan 8.280 nan 0.000 0.497 290 R N 2.474 122.863 120.500 -0.186 0.000 2.292 290 R HA -0.340 4.000 4.340 -0.000 0.000 0.268 290 R C 1.115 177.314 176.300 -0.168 0.000 1.150 290 R CA 2.751 58.746 56.100 -0.174 0.000 0.993 290 R CB -0.045 30.137 30.300 -0.196 0.000 0.901 290 R HN 0.811 nan 8.270 nan 0.000 0.470 291 E N -1.168 118.851 120.200 -0.302 0.000 2.086 291 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 291 E C 1.562 178.197 176.600 0.058 0.000 0.975 291 E CA 1.591 57.920 56.400 -0.118 0.000 0.813 291 E CB 0.269 29.883 29.700 -0.144 0.000 0.768 291 E HN 0.631 nan 8.360 nan 0.000 0.457 292 T N -1.820 112.858 114.554 0.208 0.000 3.092 292 T HA 0.101 4.451 4.350 -0.000 0.000 0.258 292 T C 0.336 175.117 174.700 0.135 0.000 1.031 292 T CA -0.426 61.787 62.100 0.188 0.000 0.925 292 T CB 0.051 69.056 68.868 0.228 0.000 1.036 292 T HN -0.042 nan 8.240 nan 0.000 0.544 293 N N 2.428 121.197 118.700 0.115 0.000 2.707 293 N HA -0.169 4.571 4.740 -0.000 0.000 0.253 293 N C -0.312 175.253 175.510 0.092 0.000 0.998 293 N CA 1.053 54.153 53.050 0.084 0.000 0.751 293 N CB -0.835 37.683 38.487 0.053 0.000 0.920 293 N HN 0.865 nan 8.380 nan 0.000 0.539 294 E N 0.370 120.647 120.200 0.128 0.000 2.191 294 E HA 0.422 4.772 4.350 -0.000 0.000 0.274 294 E C -2.604 174.047 176.600 0.084 0.000 0.948 294 E CA -2.095 54.361 56.400 0.092 0.000 0.802 294 E CB 1.579 31.323 29.700 0.074 0.000 1.137 294 E HN -0.108 nan 8.360 nan 0.000 0.397 295 P HA -0.055 nan 4.420 nan 0.000 0.266 295 P C -1.228 176.100 177.300 0.046 0.000 1.193 295 P CA 0.005 63.135 63.100 0.050 0.000 0.770 295 P CB 0.561 32.285 31.700 0.041 0.000 0.836 296 V N 2.751 122.693 119.914 0.047 0.000 2.482 296 V HA 0.249 4.369 4.120 -0.000 0.000 0.295 296 V C 0.188 176.302 176.094 0.032 0.000 1.026 296 V CA -0.841 61.484 62.300 0.042 0.000 0.856 296 V CB 1.494 33.356 31.823 0.064 0.000 1.001 296 V HN 0.399 nan 8.190 nan 0.000 0.424 297 K N 3.155 123.569 120.400 0.022 0.000 2.276 297 K HA 0.355 4.675 4.320 -0.000 0.000 0.259 297 K C -0.107 176.506 176.600 0.021 0.000 1.001 297 K CA 0.451 56.749 56.287 0.020 0.000 0.927 297 K CB 0.714 33.223 32.500 0.014 0.000 0.969 297 K HN 0.693 nan 8.250 nan 0.000 0.490 298 T N 4.234 118.799 114.554 0.019 0.000 2.892 298 T HA 0.316 4.666 4.350 -0.000 0.000 0.311 298 T C -0.815 173.893 174.700 0.013 0.000 1.033 298 T CA -0.791 61.320 62.100 0.017 0.000 0.991 298 T CB 0.577 69.454 68.868 0.016 0.000 0.981 298 T HN 0.432 nan 8.240 nan 0.000 0.457 299 K N 1.847 122.256 120.400 0.015 0.000 2.118 299 K HA 0.612 4.932 4.320 -0.000 0.000 0.264 299 K C -0.200 176.405 176.600 0.008 0.000 1.000 299 K CA -0.644 55.651 56.287 0.013 0.000 0.929 299 K CB 1.045 33.556 32.500 0.019 0.000 1.021 299 K HN 0.363 nan 8.250 nan 0.000 0.463 300 T N 2.680 117.234 114.554 -0.000 0.000 2.906 300 T HA 0.308 4.657 4.350 -0.000 0.000 0.302 300 T C -0.763 173.921 174.700 -0.026 0.000 1.002 300 T CA -0.701 61.388 62.100 -0.019 0.000 0.988 300 T CB 0.669 69.520 68.868 -0.028 0.000 0.972 300 T HN 0.369 nan 8.240 nan 0.000 0.447 301 R N 2.159 122.636 120.500 -0.038 0.000 2.393 301 R HA 0.555 4.895 4.340 -0.000 0.000 0.315 301 R C -0.388 175.792 176.300 -0.200 0.000 0.952 301 R CA -0.670 55.411 56.100 -0.032 0.000 0.842 301 R CB 1.685 32.038 30.300 0.087 0.000 1.163 301 R HN 0.463 nan 8.270 nan 0.000 0.450 302 T N 3.905 118.349 114.554 -0.184 0.000 2.928 302 T HA 0.625 4.975 4.350 -0.000 0.000 0.284 302 T C -0.617 173.969 174.700 -0.189 0.000 1.008 302 T CA -0.172 61.732 62.100 -0.326 0.000 1.057 302 T CB 0.549 69.320 68.868 -0.162 0.000 1.018 302 T HN 0.423 nan 8.240 nan 0.000 0.493 303 F N -0.650 119.301 119.950 0.002 0.000 2.741 303 F HA 0.489 5.016 4.527 -0.000 0.000 0.311 303 F C -0.944 174.857 175.800 0.002 0.000 1.149 303 F CA -1.701 56.300 58.000 0.002 0.000 0.930 303 F CB 0.752 39.753 39.000 0.002 0.000 1.312 303 F HN 0.341 nan 8.300 nan 0.000 0.450 304 N N 0.952 119.845 118.700 0.321 0.000 2.470 304 N HA 0.141 4.881 4.740 -0.000 0.000 0.268 304 N C 0.551 176.190 175.510 0.214 0.000 1.136 304 N CA 0.423 53.593 53.050 0.199 0.000 0.961 304 N CB 1.701 40.249 38.487 0.102 0.000 1.067 304 N HN 0.814 nan 8.380 nan 0.000 0.468 305 T N 1.663 116.336 114.554 0.198 0.000 2.746 305 T HA -0.149 4.200 4.350 -0.000 0.000 0.267 305 T C 1.865 176.591 174.700 0.042 0.000 1.039 305 T CA 2.057 64.242 62.100 0.141 0.000 1.142 305 T CB -0.098 68.845 68.868 0.126 0.000 0.866 305 T HN 0.761 nan 8.240 nan 0.000 0.444 306 S N 1.579 117.302 115.700 0.038 0.000 2.387 306 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 306 S C 2.104 176.701 174.600 -0.004 0.000 1.026 306 S CA 1.389 59.597 58.200 0.013 0.000 0.972 306 S CB -0.771 62.440 63.200 0.017 0.000 0.814 306 S HN 0.642 nan 8.310 nan 0.000 0.477 307 T N -2.829 111.725 114.554 -0.000 0.000 3.105 307 T HA 0.504 4.854 4.350 -0.000 0.000 0.253 307 T C 1.554 176.228 174.700 -0.043 0.000 1.047 307 T CA 0.461 62.553 62.100 -0.014 0.000 0.944 307 T CB -0.223 68.646 68.868 0.001 0.000 1.016 307 T HN 0.948 nan 8.240 nan 0.000 0.544 308 G N 1.101 109.854 108.800 -0.079 0.000 2.219 308 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.271 308 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.271 308 G C 0.508 175.313 174.900 -0.158 0.000 0.991 308 G CA 0.067 45.049 45.100 -0.196 0.000 0.685 308 G HN 1.095 nan 8.290 nan 0.000 0.531 309 G N -0.782 107.995 108.800 -0.039 0.000 2.390 309 G HA2 0.573 4.533 3.960 -0.000 0.000 0.270 309 G HA3 0.573 4.533 3.960 -0.000 0.000 0.270 309 G C 0.026 174.984 174.900 0.097 0.000 1.211 309 G CA -0.445 44.662 45.100 0.011 0.000 0.842 309 G HN 0.761 nan 8.290 nan 0.000 0.519 310 L N 2.399 123.681 121.223 0.099 0.000 2.410 310 L HA 0.304 4.644 4.340 -0.000 0.000 0.273 310 L C 0.257 177.194 176.870 0.111 0.000 1.144 310 L CA -0.134 54.802 54.840 0.160 0.000 0.863 310 L CB 0.442 42.570 42.059 0.115 0.000 1.140 310 L HN 0.344 nan 8.230 nan 0.000 0.463 311 L N 6.186 127.478 121.223 0.114 0.000 2.326 311 L HA 0.343 4.683 4.340 -0.000 0.000 0.278 311 L C -0.154 176.740 176.870 0.039 0.000 1.092 311 L CA -0.337 54.541 54.840 0.064 0.000 0.810 311 L CB 0.816 42.905 42.059 0.050 0.000 1.153 311 L HN 0.541 nan 8.230 nan 0.000 0.439 312 L N 4.549 125.789 121.223 0.029 0.000 2.344 312 L HA 0.369 4.709 4.340 -0.000 0.000 0.272 312 L C -1.147 175.731 176.870 0.013 0.000 1.035 312 L CA -1.715 53.137 54.840 0.019 0.000 0.807 312 L CB 1.547 43.616 42.059 0.018 0.000 1.237 312 L HN 0.424 nan 8.230 nan 0.000 0.442 313 P HA -0.202 nan 4.420 nan 0.000 0.219 313 P C 0.976 178.279 177.300 0.005 0.000 1.144 313 P CA 1.361 64.464 63.100 0.005 0.000 0.806 313 P CB 0.143 31.845 31.700 0.003 0.000 0.771 314 S N -2.540 113.164 115.700 0.007 0.000 2.556 314 S HA 0.086 4.556 4.470 -0.000 0.000 0.216 314 S C 1.092 175.698 174.600 0.009 0.000 0.970 314 S CA -0.225 57.979 58.200 0.007 0.000 0.912 314 S CB -0.433 62.771 63.200 0.006 0.000 0.790 314 S HN -0.016 nan 8.310 nan 0.000 0.504 315 D N 2.411 122.818 120.400 0.011 0.000 2.368 315 D HA 0.154 4.794 4.640 -0.000 0.000 0.218 315 D C 0.126 176.434 176.300 0.013 0.000 1.112 315 D CA 0.459 54.468 54.000 0.015 0.000 0.834 315 D CB 0.976 41.788 40.800 0.021 0.000 0.953 315 D HN 0.649 nan 8.370 nan 0.000 0.505 316 T N -2.259 112.301 114.554 0.009 0.000 2.956 316 T HA 0.551 4.901 4.350 -0.000 0.000 0.312 316 T C -0.349 174.354 174.700 0.004 0.000 1.151 316 T CA -0.922 61.181 62.100 0.006 0.000 1.024 316 T CB 2.967 71.837 68.868 0.002 0.000 1.140 316 T HN -0.266 nan 8.240 nan 0.000 0.473 317 K N 0.905 121.307 120.400 0.005 0.000 2.313 317 K HA 0.712 5.032 4.320 -0.000 0.000 0.235 317 K C -0.335 176.268 176.600 0.005 0.000 1.035 317 K CA -1.318 54.972 56.287 0.005 0.000 0.868 317 K CB 1.193 33.697 32.500 0.007 0.000 1.232 317 K HN 0.325 nan 8.250 nan 0.000 0.459 318 R N 0.660 121.165 120.500 0.007 0.000 2.428 318 R HA 0.384 4.724 4.340 -0.000 0.000 0.294 318 R C -0.429 175.880 176.300 0.015 0.000 1.000 318 R CA -0.447 55.658 56.100 0.009 0.000 0.960 318 R CB 1.528 31.835 30.300 0.012 0.000 1.076 318 R HN 0.630 nan 8.270 nan 0.000 0.475 319 S N 1.363 117.071 115.700 0.012 0.000 2.569 319 S HA 0.571 5.041 4.470 -0.000 0.000 0.280 319 S C -1.367 173.240 174.600 0.012 0.000 1.111 319 S CA -0.623 57.587 58.200 0.017 0.000 0.887 319 S CB 1.614 64.818 63.200 0.007 0.000 1.095 319 S HN 0.490 nan 8.310 nan 0.000 0.476 320 Q N 1.829 121.645 119.800 0.026 0.000 2.353 320 Q HA 0.534 4.874 4.340 -0.000 0.000 0.275 320 Q C -1.528 174.458 176.000 -0.024 0.000 1.029 320 Q CA -0.567 55.225 55.803 -0.018 0.000 0.848 320 Q CB 2.229 31.018 28.738 0.086 0.000 1.390 320 Q HN 0.707 nan 8.270 nan 0.000 0.401 321 I N 1.337 121.776 120.570 -0.218 0.000 2.608 321 I HA 0.455 4.625 4.170 -0.000 0.000 0.295 321 I C -1.430 174.445 176.117 -0.404 0.000 1.049 321 I CA -0.949 60.266 61.300 -0.142 0.000 1.063 321 I CB 1.609 39.555 38.000 -0.091 0.000 1.248 321 I HN 0.569 nan 8.210 nan 0.000 0.424 322 Y N 3.562 123.861 120.300 -0.002 0.000 2.445 322 Y HA 0.550 5.100 4.550 -0.000 0.000 0.332 322 Y C 0.744 176.643 175.900 -0.002 0.000 1.037 322 Y CA -0.234 57.865 58.100 -0.002 0.000 1.296 322 Y CB 1.354 39.812 38.460 -0.002 0.000 1.099 322 Y HN 0.892 nan 8.280 nan 0.000 0.496 323 G N 1.600 110.444 108.800 0.073 0.000 2.536 323 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.277 323 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.277 323 G C 0.457 175.380 174.900 0.038 0.000 1.155 323 G CA 0.231 45.362 45.100 0.052 0.000 0.960 323 G HN 1.104 nan 8.290 nan 0.000 0.544 324 S N 0.090 115.815 115.700 0.043 0.000 2.489 324 S HA 0.684 5.154 4.470 -0.000 0.000 0.237 324 S C 0.103 174.728 174.600 0.042 0.000 1.220 324 S CA 0.468 58.687 58.200 0.032 0.000 1.231 324 S CB 0.870 64.083 63.200 0.022 0.000 0.900 324 S HN 0.900 nan 8.310 nan 0.000 0.492 325 R N 1.633 122.173 120.500 0.066 0.000 2.510 325 R HA 0.365 4.705 4.340 -0.000 0.000 0.294 325 R C -1.290 175.073 176.300 0.104 0.000 1.056 325 R CA -0.217 55.931 56.100 0.080 0.000 0.918 325 R CB 1.266 31.621 30.300 0.092 0.000 1.187 325 R HN 0.568 nan 8.270 nan 0.000 0.437 326 Q N 4.623 124.465 119.800 0.071 0.000 2.256 326 Q HA 0.520 4.860 4.340 -0.000 0.000 0.257 326 Q C -0.821 175.223 176.000 0.075 0.000 0.936 326 Q CA -0.649 55.195 55.803 0.068 0.000 0.903 326 Q CB 1.199 29.959 28.738 0.035 0.000 1.263 326 Q HN 0.650 nan 8.270 nan 0.000 0.440 327 I N 4.736 125.363 120.570 0.095 0.000 2.436 327 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 327 I C -0.662 175.489 176.117 0.056 0.000 1.010 327 I CA -0.876 60.471 61.300 0.078 0.000 1.098 327 I CB 1.583 39.646 38.000 0.106 0.000 1.266 327 I HN 0.498 nan 8.210 nan 0.000 0.434 328 I N 7.161 127.752 120.570 0.035 0.000 2.378 328 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 328 I C -0.292 175.836 176.117 0.018 0.000 0.992 328 I CA -0.500 60.815 61.300 0.024 0.000 1.154 328 I CB 1.486 39.497 38.000 0.017 0.000 1.315 328 I HN 0.390 nan 8.210 nan 0.000 0.448 329 L N 4.378 125.611 121.223 0.017 0.000 2.409 329 L HA 0.479 4.819 4.340 -0.000 0.000 0.262 329 L C 0.142 177.016 176.870 0.008 0.000 0.992 329 L CA -0.999 53.848 54.840 0.011 0.000 0.817 329 L CB 2.554 44.620 42.059 0.013 0.000 1.350 329 L HN 0.448 nan 8.230 nan 0.000 0.411 330 E N 1.177 121.380 120.200 0.004 0.000 2.409 330 E HA 0.015 4.365 4.350 -0.000 0.000 0.257 330 E C 0.470 177.072 176.600 0.003 0.000 1.150 330 E CA -0.124 56.277 56.400 0.002 0.000 0.942 330 E CB 1.253 30.953 29.700 -0.000 0.000 0.979 330 E HN 0.460 nan 8.360 nan 0.000 0.447 331 K N 1.689 122.090 120.400 0.002 0.000 2.057 331 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 331 K C 1.331 177.932 176.600 0.002 0.000 1.049 331 K CA 1.448 57.736 56.287 0.003 0.000 0.931 331 K CB 0.089 32.590 32.500 0.002 0.000 0.714 331 K HN 0.394 nan 8.250 nan 0.000 0.440 332 E N 0.392 120.592 120.200 -0.001 0.000 2.171 332 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 332 E C 1.768 178.365 176.600 -0.005 0.000 0.997 332 E CA 1.419 57.817 56.400 -0.003 0.000 0.810 332 E CB -0.011 29.686 29.700 -0.005 0.000 0.738 332 E HN 0.509 nan 8.360 nan 0.000 0.467 333 E N 0.064 120.262 120.200 -0.004 0.000 2.170 333 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 333 E C 2.307 178.907 176.600 -0.001 0.000 0.981 333 E CA 1.349 57.745 56.400 -0.006 0.000 0.830 333 E CB -0.036 29.660 29.700 -0.006 0.000 0.775 333 E HN 0.326 nan 8.360 nan 0.000 0.470 334 T N 0.172 114.730 114.554 0.006 0.000 2.759 334 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 334 T C 1.637 176.345 174.700 0.014 0.000 1.042 334 T CA 1.047 63.154 62.100 0.013 0.000 1.140 334 T CB -0.077 68.800 68.868 0.015 0.000 0.864 334 T HN -0.044 nan 8.240 nan 0.000 0.455 335 E N 1.116 121.322 120.200 0.009 0.000 2.122 335 E HA 0.012 4.362 4.350 -0.000 0.000 0.190 335 E C 2.169 178.774 176.600 0.007 0.000 0.977 335 E CA 0.772 57.179 56.400 0.012 0.000 0.820 335 E CB -0.523 29.182 29.700 0.008 0.000 0.770 335 E HN 0.767 nan 8.360 nan 0.000 0.462 336 E N 1.092 121.288 120.200 -0.006 0.000 2.130 336 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 336 E C 1.526 178.103 176.600 -0.037 0.000 0.998 336 E CA 1.143 57.528 56.400 -0.024 0.000 0.806 336 E CB -0.035 29.647 29.700 -0.030 0.000 0.738 336 E HN 0.171 nan 8.360 nan 0.000 0.459 337 L N -1.176 120.035 121.223 -0.020 0.000 2.675 337 L HA 0.136 4.476 4.340 -0.000 0.000 0.239 337 L C 1.255 178.149 176.870 0.040 0.000 1.151 337 L CA 0.841 55.668 54.840 -0.021 0.000 0.905 337 L CB 0.030 42.086 42.059 -0.005 0.000 1.057 337 L HN -0.103 nan 8.230 nan 0.000 0.435 338 K N -0.184 120.259 120.400 0.070 0.000 2.399 338 K HA 0.200 4.520 4.320 -0.000 0.000 0.196 338 K C 0.673 177.443 176.600 0.282 0.000 1.103 338 K CA -0.370 56.030 56.287 0.188 0.000 0.986 338 K CB 0.570 33.139 32.500 0.115 0.000 0.952 338 K HN 0.193 nan 8.250 nan 0.000 0.541 339 R N 0.842 121.396 120.500 0.090 0.000 2.458 339 R HA 0.009 4.349 4.340 -0.000 0.000 0.303 339 R C -0.559 175.716 176.300 -0.042 0.000 1.013 339 R CA 0.385 56.518 56.100 0.055 0.000 1.026 339 R CB 0.215 30.494 30.300 -0.035 0.000 0.948 339 R HN -0.057 nan 8.270 nan 0.000 0.417 340 F N 0.729 120.651 119.950 -0.047 0.000 1.996 340 F HA 0.250 4.777 4.527 -0.000 0.000 0.222 340 F C 0.312 176.082 175.800 -0.051 0.000 1.203 340 F CA -0.121 57.848 58.000 -0.052 0.000 1.296 340 F CB -0.272 38.688 39.000 -0.067 0.000 1.782 340 F HN 0.410 nan 8.300 nan 0.000 0.334 341 D N 0.820 121.326 120.400 0.177 0.000 2.348 341 D HA 0.195 4.834 4.640 -0.000 0.000 0.249 341 D C -0.819 175.495 176.300 0.023 0.000 1.110 341 D CA -0.082 53.953 54.000 0.059 0.000 0.967 341 D CB 0.453 41.262 40.800 0.015 0.000 1.139 341 D HN 0.044 nan 8.370 nan 0.000 0.466 342 D N -0.012 120.387 120.400 -0.002 0.000 2.354 342 D HA 0.257 4.897 4.640 -0.000 0.000 0.247 342 D C -2.130 174.149 176.300 -0.036 0.000 1.138 342 D CA -1.268 52.723 54.000 -0.015 0.000 0.958 342 D CB 0.141 40.932 40.800 -0.015 0.000 1.144 342 D HN -0.031 nan 8.370 nan 0.000 0.458 343 P HA 0.225 nan 4.420 nan 0.000 0.266 343 P C 0.079 177.335 177.300 -0.073 0.000 1.186 343 P CA 0.594 63.646 63.100 -0.080 0.000 0.767 343 P CB 0.447 32.108 31.700 -0.065 0.000 0.820 344 G N 0.721 109.459 108.800 -0.104 0.000 2.346 344 G HA2 0.116 4.076 3.960 -0.000 0.000 0.294 344 G HA3 0.116 4.076 3.960 -0.000 0.000 0.294 344 G C -2.012 172.865 174.900 -0.038 0.000 1.294 344 G CA -0.926 44.141 45.100 -0.055 0.000 0.962 344 G HN 0.457 nan 8.290 nan 0.000 0.508 345 L N 0.926 122.152 121.223 0.006 0.000 2.417 345 L HA 0.483 4.823 4.340 -0.000 0.000 0.259 345 L C 0.498 177.356 176.870 -0.020 0.000 1.023 345 L CA -0.388 54.468 54.840 0.026 0.000 0.901 345 L CB 1.286 43.364 42.059 0.032 0.000 1.227 345 L HN 0.489 nan 8.230 nan 0.000 0.454 346 M N 3.606 123.193 119.600 -0.021 0.000 2.188 346 M HA 0.194 4.674 4.480 -0.000 0.000 0.354 346 M C -0.292 175.980 176.300 -0.047 0.000 1.342 346 M CA -0.600 54.684 55.300 -0.027 0.000 1.117 346 M CB 1.113 33.707 32.600 -0.010 0.000 1.670 346 M HN 0.273 nan 8.290 nan 0.000 0.466 347 L N 4.814 125.991 121.223 -0.075 0.000 2.410 347 L HA 0.117 4.456 4.340 -0.000 0.000 0.273 347 L C 0.400 177.210 176.870 -0.100 0.000 1.152 347 L CA 0.757 55.514 54.840 -0.139 0.000 0.855 347 L CB 0.642 42.603 42.059 -0.165 0.000 1.129 347 L HN 0.791 nan 8.230 nan 0.000 0.463 348 M N 3.275 122.796 119.600 -0.131 0.000 2.379 348 M HA 0.456 4.936 4.480 -0.000 0.000 0.265 348 M C 0.736 176.965 176.300 -0.118 0.000 1.095 348 M CA 0.588 55.846 55.300 -0.070 0.000 1.075 348 M CB -0.288 32.311 32.600 -0.001 0.000 1.443 348 M HN 0.747 nan 8.290 nan 0.000 0.519 349 G N 0.591 109.230 108.800 -0.270 0.000 2.357 349 G HA2 0.233 4.193 3.960 -0.000 0.000 0.289 349 G HA3 0.233 4.193 3.960 -0.000 0.000 0.289 349 G C -1.951 172.628 174.900 -0.535 0.000 1.302 349 G CA -1.073 43.881 45.100 -0.244 0.000 0.936 349 G HN 0.048 nan 8.290 nan 0.000 0.513 350 F N 0.622 120.547 119.950 -0.042 0.000 2.520 350 F HA 0.790 5.316 4.527 -0.000 0.000 0.322 350 F C 0.393 176.173 175.800 -0.034 0.000 1.103 350 F CA -0.757 57.218 58.000 -0.041 0.000 0.926 350 F CB 2.674 41.654 39.000 -0.034 0.000 1.154 350 F HN 0.508 nan 8.300 nan 0.000 0.453 351 K N 4.556 125.018 120.400 0.103 0.000 2.378 351 K HA 0.490 4.810 4.320 -0.000 0.000 0.252 351 K C -2.947 173.688 176.600 0.058 0.000 0.931 351 K CA -2.328 53.990 56.287 0.052 0.000 0.794 351 K CB 2.111 34.607 32.500 -0.006 0.000 1.181 351 K HN 0.197 nan 8.250 nan 0.000 0.425 352 P HA -0.051 nan 4.420 nan 0.000 0.263 352 P C 0.835 178.148 177.300 0.023 0.000 1.195 352 P CA 0.270 63.391 63.100 0.034 0.000 0.762 352 P CB 0.523 32.235 31.700 0.019 0.000 0.799 353 L N 3.382 124.623 121.223 0.029 0.000 2.211 353 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 353 L C 2.418 179.289 176.870 0.001 0.000 1.092 353 L CA 1.321 56.173 54.840 0.020 0.000 0.767 353 L CB -0.912 41.163 42.059 0.027 0.000 0.894 353 L HN 0.200 nan 8.230 nan 0.000 0.437 354 V N 0.118 120.032 119.914 -0.001 0.000 2.324 354 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 354 V C 2.332 178.410 176.094 -0.028 0.000 1.060 354 V CA 1.836 64.129 62.300 -0.012 0.000 1.042 354 V CB -0.556 31.262 31.823 -0.008 0.000 0.650 354 V HN 0.427 nan 8.190 nan 0.000 0.450 355 L N -0.584 120.625 121.223 -0.025 0.000 2.362 355 L HA 0.002 4.342 4.340 -0.000 0.000 0.219 355 L C 0.838 177.672 176.870 -0.060 0.000 1.134 355 L CA 0.573 55.390 54.840 -0.038 0.000 0.807 355 L CB -0.410 41.634 42.059 -0.025 0.000 0.927 355 L HN 0.275 nan 8.230 nan 0.000 0.447 356 L N 0.889 122.081 121.223 -0.051 0.000 2.319 356 L HA 0.212 4.552 4.340 -0.000 0.000 0.280 356 L C 0.003 176.799 176.870 -0.124 0.000 1.099 356 L CA 0.031 54.836 54.840 -0.059 0.000 0.828 356 L CB 0.654 42.702 42.059 -0.019 0.000 1.150 356 L HN 0.035 nan 8.230 nan 0.000 0.442 357 K N 2.649 122.906 120.400 -0.238 0.000 2.221 357 K HA 0.233 4.553 4.320 -0.000 0.000 0.258 357 K C 0.422 176.809 176.600 -0.355 0.000 0.944 357 K CA -0.739 55.291 56.287 -0.428 0.000 0.823 357 K CB 2.622 34.570 32.500 -0.920 0.000 1.113 357 K HN 0.387 nan 8.250 nan 0.000 0.431 358 K N 1.791 122.037 120.400 -0.256 0.000 2.074 358 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 358 K C 1.467 178.043 176.600 -0.039 0.000 1.048 358 K CA 1.609 57.844 56.287 -0.086 0.000 0.926 358 K CB 0.026 32.520 32.500 -0.011 0.000 0.713 358 K HN 0.700 nan 8.250 nan 0.000 0.444 359 H N -2.487 116.634 119.070 0.085 0.000 2.543 359 H HA -0.009 4.547 4.556 -0.000 0.000 0.269 359 H C 0.162 175.663 175.328 0.288 0.000 1.005 359 H CA 0.320 56.456 56.048 0.146 0.000 1.146 359 H CB -0.148 29.677 29.762 0.104 0.000 1.353 359 H HN 0.213 nan 8.280 nan 0.000 0.595 360 H N 0.447 119.443 119.070 -0.124 0.000 2.577 360 H HA 0.103 4.659 4.556 -0.000 0.000 0.306 360 H C -0.594 174.768 175.328 0.057 0.000 1.109 360 H CA -0.911 55.124 56.048 -0.021 0.000 1.063 360 H CB -0.950 28.751 29.762 -0.101 0.000 1.535 360 H HN 0.372 nan 8.280 nan 0.000 0.532 361 Y N 0.436 120.794 120.300 0.097 0.000 2.411 361 Y HA 0.172 4.722 4.550 -0.000 0.000 0.333 361 Y C 0.637 176.560 175.900 0.037 0.000 1.186 361 Y CA -0.049 58.089 58.100 0.063 0.000 1.381 361 Y CB 0.617 39.109 38.460 0.053 0.000 1.273 361 Y HN 0.251 nan 8.280 nan 0.000 0.546 362 L N 4.904 125.626 121.223 -0.835 0.000 2.713 362 L HA 0.426 4.766 4.340 -0.000 0.000 0.223 362 L C -0.552 175.773 176.870 -0.909 0.000 1.040 362 L CA 0.346 54.796 54.840 -0.650 0.000 0.894 362 L CB 0.147 42.015 42.059 -0.318 0.000 1.361 362 L HN 0.780 nan 8.230 nan 0.000 0.490 363 R N -0.769 119.078 120.500 -1.089 0.000 2.664 363 R HA 0.454 4.794 4.340 -0.000 0.000 0.266 363 R C -2.900 173.216 176.300 -0.308 0.000 1.046 363 R CA -1.447 54.239 56.100 -0.689 0.000 0.885 363 R CB 0.119 29.988 30.300 -0.718 0.000 1.254 363 R HN -0.238 nan 8.270 nan 0.000 0.465 364 P HA -0.091 nan 4.420 nan 0.000 0.266 364 P C -0.597 176.839 177.300 0.227 0.000 1.180 364 P CA 0.193 63.437 63.100 0.240 0.000 0.765 364 P CB 0.574 32.359 31.700 0.142 0.000 0.806 365 S N 1.074 116.940 115.700 0.276 0.000 2.646 365 S HA 0.482 4.952 4.470 -0.000 0.000 0.276 365 S C 0.512 175.259 174.600 0.245 0.000 1.222 365 S CA -0.620 57.746 58.200 0.276 0.000 1.014 365 S CB 0.407 63.744 63.200 0.229 0.000 0.991 365 S HN 0.302 nan 8.310 nan 0.000 0.533 366 L N 0.949 122.301 121.223 0.215 0.000 2.298 366 L HA 0.663 5.003 4.340 -0.000 0.000 0.268 366 L C -1.001 176.047 176.870 0.297 0.000 1.010 366 L CA -0.783 54.191 54.840 0.225 0.000 0.812 366 L CB 0.836 42.982 42.059 0.145 0.000 1.331 366 L HN 0.541 nan 8.230 nan 0.000 0.450 367 F N 0.546 120.616 119.950 0.201 0.000 2.507 367 F HA 0.609 5.136 4.527 -0.000 0.000 0.325 367 F C -0.750 175.269 175.800 0.365 0.000 1.116 367 F CA -0.748 57.403 58.000 0.253 0.000 0.930 367 F CB 1.591 40.725 39.000 0.223 0.000 1.146 367 F HN -0.083 nan 8.300 nan 0.000 0.447 368 V N 7.165 126.892 119.914 -0.311 0.000 2.384 368 V HA 0.360 4.480 4.120 -0.000 0.000 0.287 368 V C -1.227 174.833 176.094 -0.057 0.000 1.020 368 V CA -0.808 61.483 62.300 -0.016 0.000 0.850 368 V CB 1.080 32.976 31.823 0.123 0.000 0.987 368 V HN 0.717 nan 8.190 nan 0.000 0.436 369 Y N 7.186 127.487 120.300 0.002 0.000 2.536 369 Y HA 0.663 5.213 4.550 -0.000 0.000 0.347 369 Y C -2.483 173.282 175.900 -0.225 0.000 1.000 369 Y CA -2.475 55.506 58.100 -0.197 0.000 1.051 369 Y CB 3.165 41.638 38.460 0.022 0.000 1.259 369 Y HN 0.421 nan 8.280 nan 0.000 0.468 370 P HA 0.071 nan 4.420 nan 0.000 0.271 370 P C -1.026 176.201 177.300 -0.122 0.000 1.218 370 P CA -0.028 62.742 63.100 -0.550 0.000 0.780 370 P CB 1.282 32.491 31.700 -0.818 0.000 0.901 371 E N 1.172 121.369 120.200 -0.005 0.000 3.167 371 E HA 0.096 4.445 4.350 -0.000 0.000 0.212 371 E C 0.866 177.487 176.600 0.036 0.000 1.143 371 E CA -0.295 56.144 56.400 0.064 0.000 1.002 371 E CB -0.389 29.356 29.700 0.075 0.000 1.315 371 E HN 0.214 nan 8.360 nan 0.000 0.422 372 E N 0.742 120.954 120.200 0.020 0.000 2.253 372 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 372 E C 1.452 178.069 176.600 0.027 0.000 1.014 372 E CA 1.819 58.229 56.400 0.017 0.000 0.823 372 E CB -0.023 29.685 29.700 0.015 0.000 0.736 372 E HN 0.478 nan 8.360 nan 0.000 0.478 373 S N -0.737 114.984 115.700 0.036 0.000 2.382 373 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 373 S C 1.951 176.565 174.600 0.023 0.000 1.027 373 S CA 1.270 59.489 58.200 0.030 0.000 0.991 373 S CB -0.442 62.779 63.200 0.034 0.000 0.823 373 S HN 0.328 nan 8.310 nan 0.000 0.469 374 L N 0.523 121.761 121.223 0.024 0.000 2.062 374 L HA 0.253 4.593 4.340 -0.000 0.000 0.202 374 L C 0.452 177.333 176.870 0.018 0.000 1.079 374 L CA 0.456 55.307 54.840 0.019 0.000 0.755 374 L CB -0.414 41.657 42.059 0.019 0.000 0.913 374 L HN 0.184 nan 8.230 nan 0.000 0.445 375 V N 1.748 121.674 119.914 0.021 0.000 2.334 375 V HA 0.312 4.432 4.120 -0.000 0.000 0.281 375 V C 0.085 176.192 176.094 0.021 0.000 1.016 375 V CA -0.475 61.838 62.300 0.021 0.000 0.832 375 V CB 1.594 33.431 31.823 0.023 0.000 0.999 375 V HN 0.105 nan 8.190 nan 0.000 0.439 376 I N 4.503 125.084 120.570 0.019 0.000 2.496 376 I HA 0.490 4.660 4.170 -0.000 0.000 0.285 376 I C 1.358 177.487 176.117 0.020 0.000 1.080 376 I CA 1.081 62.392 61.300 0.018 0.000 1.404 376 I CB 0.936 38.945 38.000 0.016 0.000 1.403 376 I HN 0.875 nan 8.210 nan 0.000 0.539 377 G N 3.277 112.090 108.800 0.020 0.000 2.253 377 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.209 377 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.209 377 G C 0.968 175.888 174.900 0.035 0.000 0.997 377 G CA 0.273 45.388 45.100 0.025 0.000 0.640 377 G HN 0.547 nan 8.290 nan 0.000 0.496 378 S N 1.177 116.898 115.700 0.035 0.000 2.353 378 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 378 S C 2.442 177.078 174.600 0.060 0.000 1.035 378 S CA 1.978 60.212 58.200 0.057 0.000 1.025 378 S CB -0.447 62.781 63.200 0.046 0.000 0.902 378 S HN 0.626 nan 8.310 nan 0.000 0.440 379 S N 1.150 116.842 115.700 -0.014 0.000 2.423 379 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 379 S C 1.949 176.562 174.600 0.022 0.000 1.028 379 S CA 1.588 59.743 58.200 -0.075 0.000 1.000 379 S CB -0.630 62.515 63.200 -0.091 0.000 0.797 379 S HN 0.594 nan 8.310 nan 0.000 0.487 380 T N 2.223 116.805 114.554 0.047 0.000 2.706 380 T HA 0.134 4.484 4.350 -0.000 0.000 0.255 380 T C 1.760 176.518 174.700 0.098 0.000 1.048 380 T CA 0.595 62.732 62.100 0.061 0.000 1.153 380 T CB -0.494 68.399 68.868 0.042 0.000 0.865 380 T HN 0.201 nan 8.240 nan 0.000 0.414 381 L N 0.240 121.520 121.223 0.096 0.000 2.021 381 L HA -0.166 4.174 4.340 -0.000 0.000 0.215 381 L C 2.295 179.255 176.870 0.149 0.000 1.074 381 L CA 1.834 56.733 54.840 0.098 0.000 0.760 381 L CB -0.418 41.688 42.059 0.080 0.000 0.889 381 L HN 0.288 nan 8.230 nan 0.000 0.433 382 F N -0.276 119.687 119.950 0.022 0.000 2.065 382 F HA -0.363 4.164 4.527 -0.000 0.000 0.298 382 F C 2.897 178.748 175.800 0.084 0.000 1.112 382 F CA 2.001 60.033 58.000 0.055 0.000 1.212 382 F CB -0.279 38.717 39.000 -0.007 0.000 0.975 382 F HN 0.102 nan 8.300 nan 0.000 0.476 383 S N -0.030 115.923 115.700 0.423 0.000 2.370 383 S HA -0.243 4.227 4.470 -0.000 0.000 0.226 383 S C 2.186 176.873 174.600 0.145 0.000 1.033 383 S CA 1.290 59.648 58.200 0.264 0.000 1.011 383 S CB -0.781 62.502 63.200 0.138 0.000 0.852 383 S HN 0.550 nan 8.310 nan 0.000 0.457 384 A N 1.188 124.073 122.820 0.110 0.000 1.877 384 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 384 A C 2.218 179.835 177.584 0.055 0.000 1.186 384 A CA 1.470 53.544 52.037 0.062 0.000 0.620 384 A CB -0.853 18.174 19.000 0.045 0.000 0.822 384 A HN 0.556 nan 8.150 nan 0.000 0.443 385 L N -1.137 120.128 121.223 0.070 0.000 1.989 385 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 385 L C 2.543 179.521 176.870 0.180 0.000 1.071 385 L CA 1.428 56.327 54.840 0.097 0.000 0.749 385 L CB -0.512 41.578 42.059 0.051 0.000 0.890 385 L HN 0.472 nan 8.230 nan 0.000 0.431 386 L N -0.152 121.161 121.223 0.150 0.000 2.127 386 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 386 L C 2.227 179.079 176.870 -0.030 0.000 1.089 386 L CA 1.755 56.558 54.840 -0.061 0.000 0.757 386 L CB -0.358 41.589 42.059 -0.186 0.000 0.899 386 L HN 0.146 nan 8.230 nan 0.000 0.434 387 I N -1.136 119.445 120.570 0.018 0.000 2.353 387 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 387 I C 2.192 178.311 176.117 0.003 0.000 1.119 387 I CA 0.730 62.035 61.300 0.008 0.000 1.417 387 I CB -0.373 37.638 38.000 0.018 0.000 1.078 387 I HN 0.148 nan 8.210 nan 0.000 0.421 388 K N 0.235 120.639 120.400 0.006 0.000 2.167 388 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 388 K C 2.150 178.743 176.600 -0.011 0.000 1.052 388 K CA 0.961 57.235 56.287 -0.022 0.000 0.956 388 K CB -0.594 31.869 32.500 -0.062 0.000 0.735 388 K HN 0.345 nan 8.250 nan 0.000 0.451 389 C N 0.922 120.251 119.300 0.049 0.000 2.435 389 C HA 0.017 4.477 4.460 -0.000 0.000 0.279 389 C C 2.745 177.769 174.990 0.056 0.000 1.321 389 C CA 0.319 59.397 59.018 0.100 0.000 1.752 389 C CB -0.891 27.014 27.740 0.274 0.000 1.959 389 C HN 0.346 nan 8.230 nan 0.000 0.500 390 L N 0.345 121.579 121.223 0.018 0.000 2.056 390 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 390 L C 2.657 179.527 176.870 0.001 0.000 1.078 390 L CA 1.480 56.319 54.840 -0.001 0.000 0.749 390 L CB -0.617 41.429 42.059 -0.022 0.000 0.901 390 L HN 0.401 nan 8.230 nan 0.000 0.433 391 E N 0.208 120.406 120.200 -0.004 0.000 2.077 391 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 391 E C 1.829 178.423 176.600 -0.010 0.000 0.989 391 E CA 1.121 57.516 56.400 -0.009 0.000 0.800 391 E CB 0.082 29.772 29.700 -0.016 0.000 0.746 391 E HN 0.413 nan 8.360 nan 0.000 0.452 392 K N 0.460 120.853 120.400 -0.012 0.000 2.444 392 K HA 0.030 4.350 4.320 -0.000 0.000 0.193 392 K C -0.420 176.184 176.600 0.008 0.000 1.024 392 K CA 0.094 56.374 56.287 -0.012 0.000 1.077 392 K CB 0.375 32.853 32.500 -0.037 0.000 0.833 392 K HN 0.066 nan 8.250 nan 0.000 0.517 393 E N 0.673 120.885 120.200 0.019 0.000 2.240 393 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 393 E C -1.205 175.422 176.600 0.046 0.000 1.385 393 E CA 0.110 56.527 56.400 0.029 0.000 0.686 393 E CB -1.134 28.576 29.700 0.017 0.000 1.125 393 E HN -0.005 nan 8.360 nan 0.000 0.359 394 V N 0.093 120.054 119.914 0.077 0.000 2.971 394 V HA 0.747 4.867 4.120 -0.000 0.000 0.309 394 V C -0.755 175.441 176.094 0.170 0.000 1.130 394 V CA 0.004 62.372 62.300 0.113 0.000 0.964 394 V CB 2.119 34.016 31.823 0.123 0.000 1.029 394 V HN 0.398 nan 8.190 nan 0.000 0.427 395 A N 3.698 126.603 122.820 0.141 0.000 2.320 395 A HA 0.965 5.285 4.320 -0.000 0.000 0.334 395 A C -0.102 177.503 177.584 0.036 0.000 1.147 395 A CA -0.117 51.993 52.037 0.121 0.000 0.820 395 A CB 1.566 20.604 19.000 0.063 0.000 1.218 395 A HN 1.646 nan 8.150 nan 0.000 0.482 396 A N 1.077 123.824 122.820 -0.122 0.000 2.260 396 A HA 0.555 4.875 4.320 -0.000 0.000 0.308 396 A C -0.492 176.873 177.584 -0.365 0.000 1.254 396 A CA -0.395 51.361 52.037 -0.469 0.000 0.874 396 A CB 0.042 18.645 19.000 -0.663 0.000 1.153 396 A HN 1.158 nan 8.150 nan 0.000 0.527 397 L N 3.777 124.794 121.223 -0.343 0.000 2.313 397 L HA 0.532 4.872 4.340 -0.000 0.000 0.282 397 L C -0.480 176.294 176.870 -0.161 0.000 1.092 397 L CA 0.042 54.764 54.840 -0.197 0.000 0.831 397 L CB -0.013 41.953 42.059 -0.155 0.000 1.159 397 L HN 0.716 nan 8.230 nan 0.000 0.442 398 C N 4.051 123.304 119.300 -0.078 0.000 2.802 398 C HA 0.555 5.015 4.460 -0.000 0.000 0.307 398 C C 0.146 175.179 174.990 0.071 0.000 1.222 398 C CA -1.146 57.852 59.018 -0.032 0.000 1.580 398 C CB 1.921 29.599 27.740 -0.103 0.000 2.119 398 C HN 0.780 nan 8.230 nan 0.000 0.479 399 R N 0.962 121.484 120.500 0.037 0.000 2.230 399 R HA 0.334 4.674 4.340 -0.000 0.000 0.337 399 R C -1.279 175.009 176.300 -0.021 0.000 1.063 399 R CA -0.221 55.823 56.100 -0.093 0.000 0.935 399 R CB 0.180 30.394 30.300 -0.143 0.000 1.121 399 R HN 0.779 nan 8.270 nan 0.000 0.486 400 Y N 2.587 122.802 120.300 -0.142 0.000 2.304 400 Y HA 0.250 4.800 4.550 -0.000 0.000 0.328 400 Y C -0.751 175.126 175.900 -0.038 0.000 1.123 400 Y CA 0.159 58.201 58.100 -0.096 0.000 1.218 400 Y CB 1.482 39.855 38.460 -0.145 0.000 1.207 400 Y HN 0.405 nan 8.280 nan 0.000 0.495 401 T N 9.018 123.254 114.554 -0.530 0.000 3.078 401 T HA 0.231 4.581 4.350 -0.000 0.000 0.328 401 T C -2.279 172.071 174.700 -0.584 0.000 0.987 401 T CA -0.978 60.863 62.100 -0.430 0.000 1.049 401 T CB 1.589 70.347 68.868 -0.183 0.000 1.011 401 T HN 0.431 nan 8.240 nan 0.000 0.463 402 P HA -0.065 nan 4.420 nan 0.000 0.202 402 P C 0.634 177.827 177.300 -0.178 0.000 1.171 402 P CA 1.003 63.868 63.100 -0.391 0.000 0.925 402 P CB 0.274 31.866 31.700 -0.180 0.000 0.760 403 R N -1.075 119.364 120.500 -0.102 0.000 2.730 403 R HA 0.485 4.825 4.340 -0.000 0.000 0.228 403 R C 0.217 176.489 176.300 -0.046 0.000 1.312 403 R CA -0.923 55.144 56.100 -0.056 0.000 1.093 403 R CB 0.252 30.536 30.300 -0.026 0.000 1.583 403 R HN -0.141 nan 8.270 nan 0.000 0.535 404 R N 1.109 121.594 120.500 -0.025 0.000 2.738 404 R HA 0.060 4.400 4.340 -0.000 0.000 0.268 404 R C -0.302 175.999 176.300 0.001 0.000 1.062 404 R CA -0.324 55.768 56.100 -0.014 0.000 1.158 404 R CB -0.164 30.130 30.300 -0.010 0.000 1.046 404 R HN 0.775 nan 8.270 nan 0.000 0.493 405 N N 0.455 119.164 118.700 0.015 0.000 2.696 405 N HA -0.209 4.531 4.740 -0.000 0.000 0.256 405 N C -0.831 174.710 175.510 0.053 0.000 1.031 405 N CA 1.016 54.088 53.050 0.036 0.000 0.730 405 N CB -1.014 37.486 38.487 0.022 0.000 0.894 405 N HN 0.522 nan 8.380 nan 0.000 0.544 406 I N -0.361 120.248 120.570 0.064 0.000 2.610 406 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 406 I C -2.379 173.768 176.117 0.050 0.000 1.163 406 I CA -1.848 59.485 61.300 0.055 0.000 1.044 406 I CB 2.862 40.873 38.000 0.020 0.000 1.251 406 I HN -0.247 nan 8.210 nan 0.000 0.424 407 P HA 0.038 nan 4.420 nan 0.000 0.265 407 P C -2.387 174.802 177.300 -0.185 0.000 1.187 407 P CA -0.440 62.511 63.100 -0.247 0.000 0.766 407 P CB -0.128 31.409 31.700 -0.272 0.000 0.820 408 P HA 0.205 nan 4.420 nan 0.000 0.276 408 P C -1.405 175.841 177.300 -0.090 0.000 1.261 408 P CA -0.010 62.974 63.100 -0.193 0.000 0.800 408 P CB 0.739 32.256 31.700 -0.305 0.000 1.066 409 Y N -0.841 119.419 120.300 -0.067 0.000 2.457 409 Y HA 0.395 4.945 4.550 -0.000 0.000 0.343 409 Y C -0.252 175.517 175.900 -0.218 0.000 0.994 409 Y CA -0.646 57.443 58.100 -0.019 0.000 1.031 409 Y CB 1.545 40.135 38.460 0.217 0.000 1.246 409 Y HN 0.156 nan 8.280 nan 0.000 0.449 410 F N 4.784 124.679 119.950 -0.091 0.000 2.438 410 F HA 0.467 4.994 4.527 -0.000 0.000 0.356 410 F C 0.342 176.077 175.800 -0.109 0.000 1.099 410 F CA -0.377 57.560 58.000 -0.105 0.000 1.185 410 F CB 0.642 39.532 39.000 -0.183 0.000 1.115 410 F HN 0.225 nan 8.300 nan 0.000 0.526 411 V N 0.607 120.528 119.914 0.012 0.000 3.126 411 V HA 0.971 5.091 4.120 -0.000 0.000 0.314 411 V C -0.807 175.206 176.094 -0.135 0.000 1.138 411 V CA -1.191 61.000 62.300 -0.182 0.000 1.034 411 V CB 1.616 33.137 31.823 -0.503 0.000 1.075 411 V HN 0.845 nan 8.190 nan 0.000 0.442 412 A N 2.843 125.574 122.820 -0.149 0.000 2.304 412 A HA 0.792 5.112 4.320 -0.000 0.000 0.314 412 A C -0.600 176.921 177.584 -0.105 0.000 1.187 412 A CA -0.673 51.301 52.037 -0.104 0.000 0.810 412 A CB 0.830 19.802 19.000 -0.048 0.000 1.183 412 A HN 0.955 nan 8.150 nan 0.000 0.487 413 L N 4.003 125.149 121.223 -0.129 0.000 2.282 413 L HA 0.261 4.601 4.340 -0.000 0.000 0.287 413 L C -0.564 176.391 176.870 0.142 0.000 1.075 413 L CA -0.520 54.268 54.840 -0.085 0.000 0.839 413 L CB 0.815 42.638 42.059 -0.392 0.000 1.219 413 L HN 0.427 nan 8.230 nan 0.000 0.434 414 V N 5.941 125.979 119.914 0.206 0.000 2.432 414 V HA 0.205 4.325 4.120 -0.000 0.000 0.271 414 V C -1.707 174.542 176.094 0.258 0.000 1.046 414 V CA -1.554 60.874 62.300 0.215 0.000 0.945 414 V CB 1.144 33.039 31.823 0.120 0.000 0.992 414 V HN 0.568 nan 8.190 nan 0.000 0.471 415 P HA 0.038 nan 4.420 nan 0.000 0.264 415 P C -0.866 176.346 177.300 -0.146 0.000 1.193 415 P CA 0.042 63.008 63.100 -0.223 0.000 0.763 415 P CB 0.662 32.319 31.700 -0.071 0.000 0.810 416 Q N 2.136 121.805 119.800 -0.219 0.000 2.303 416 Q HA 0.228 4.568 4.340 -0.000 0.000 0.267 416 Q C -0.723 175.268 176.000 -0.014 0.000 1.011 416 Q CA -0.574 55.209 55.803 -0.032 0.000 0.740 416 Q CB 1.399 30.201 28.738 0.107 0.000 1.250 416 Q HN 0.412 nan 8.270 nan 0.000 0.458 417 E N 2.667 122.864 120.200 -0.006 0.000 2.354 417 E HA 0.030 4.380 4.350 -0.000 0.000 0.269 417 E C -0.675 175.942 176.600 0.029 0.000 1.036 417 E CA -0.184 56.220 56.400 0.007 0.000 0.876 417 E CB 0.939 30.638 29.700 -0.001 0.000 1.009 417 E HN 0.610 nan 8.360 nan 0.000 0.416 418 E N 3.021 123.244 120.200 0.037 0.000 2.383 418 E HA -0.010 4.340 4.350 -0.000 0.000 0.264 418 E C -0.798 175.808 176.600 0.010 0.000 1.050 418 E CA -0.044 56.376 56.400 0.032 0.000 0.896 418 E CB 0.802 30.527 29.700 0.042 0.000 0.982 418 E HN 0.476 nan 8.360 nan 0.000 0.424 419 E N 4.244 124.441 120.200 -0.006 0.000 2.304 419 E HA 0.337 4.686 4.350 -0.000 0.000 0.277 419 E C -1.626 174.953 176.600 -0.035 0.000 0.898 419 E CA -0.599 55.790 56.400 -0.017 0.000 0.764 419 E CB 0.987 30.675 29.700 -0.019 0.000 1.216 419 E HN 0.482 nan 8.360 nan 0.000 0.419 420 L N 3.327 124.528 121.223 -0.036 0.000 2.333 420 L HA 0.510 4.849 4.340 -0.000 0.000 0.269 420 L C -0.058 176.772 176.870 -0.067 0.000 1.010 420 L CA -1.087 53.718 54.840 -0.059 0.000 0.818 420 L CB 1.528 43.561 42.059 -0.043 0.000 1.306 420 L HN 0.699 nan 8.230 nan 0.000 0.430 421 D N -0.441 119.900 120.400 -0.099 0.000 2.539 421 D HA 0.049 4.688 4.640 -0.000 0.000 0.280 421 D C 0.563 176.810 176.300 -0.089 0.000 1.208 421 D CA -0.334 53.611 54.000 -0.091 0.000 1.088 421 D CB 0.269 41.004 40.800 -0.108 0.000 1.149 421 D HN 0.615 nan 8.370 nan 0.000 0.596 422 D N -1.074 119.278 120.400 -0.081 0.000 2.178 422 D HA -0.218 4.422 4.640 -0.000 0.000 0.201 422 D C 1.198 177.447 176.300 -0.085 0.000 0.980 422 D CA 1.204 55.163 54.000 -0.068 0.000 0.842 422 D CB -0.375 40.392 40.800 -0.055 0.000 0.948 422 D HN 0.320 nan 8.370 nan 0.000 0.472 423 Q N -0.063 119.657 119.800 -0.134 0.000 2.365 423 Q HA 0.078 4.418 4.340 -0.000 0.000 0.203 423 Q C 0.264 176.117 176.000 -0.245 0.000 0.929 423 Q CA 0.088 55.785 55.803 -0.176 0.000 0.948 423 Q CB 0.347 28.946 28.738 -0.230 0.000 1.043 423 Q HN 0.252 nan 8.270 nan 0.000 0.505 424 K N -0.365 119.922 120.400 -0.189 0.000 3.407 424 K HA -0.181 4.139 4.320 -0.000 0.000 0.312 424 K C 0.047 176.437 176.600 -0.350 0.000 1.302 424 K CA 0.507 56.695 56.287 -0.164 0.000 0.931 424 K CB -2.351 30.135 32.500 -0.024 0.000 1.257 424 K HN 0.363 nan 8.250 nan 0.000 0.454 425 I N 1.718 121.982 120.570 -0.510 0.000 2.496 425 I HA -0.009 4.161 4.170 -0.000 0.000 0.285 425 I C 1.343 177.304 176.117 -0.260 0.000 1.080 425 I CA 0.060 60.994 61.300 -0.610 0.000 1.404 425 I CB 0.601 38.295 38.000 -0.511 0.000 1.403 425 I HN 0.078 nan 8.210 nan 0.000 0.539 426 Q N 5.414 125.127 119.800 -0.146 0.000 2.348 426 Q HA 0.113 4.453 4.340 -0.000 0.000 0.251 426 Q C 0.403 176.341 176.000 -0.104 0.000 1.113 426 Q CA -0.277 55.475 55.803 -0.086 0.000 0.902 426 Q CB 0.968 29.680 28.738 -0.044 0.000 1.333 426 Q HN 0.689 nan 8.270 nan 0.000 0.457 427 V N 2.968 122.822 119.914 -0.100 0.000 2.379 427 V HA -0.059 4.061 4.120 -0.000 0.000 0.245 427 V C 0.545 176.584 176.094 -0.092 0.000 1.044 427 V CA 1.556 63.799 62.300 -0.095 0.000 1.036 427 V CB 0.368 32.142 31.823 -0.081 0.000 0.664 427 V HN 0.745 nan 8.190 nan 0.000 0.453 428 T N 1.979 116.486 114.554 -0.080 0.000 2.890 428 T HA 0.377 4.727 4.350 -0.000 0.000 0.295 428 T C -2.731 171.922 174.700 -0.079 0.000 0.993 428 T CA -0.963 61.089 62.100 -0.080 0.000 0.979 428 T CB 2.300 71.148 68.868 -0.032 0.000 0.967 428 T HN 0.110 nan 8.240 nan 0.000 0.441 429 P HA 0.305 nan 4.420 nan 0.000 0.273 429 P C -2.824 174.556 177.300 0.135 0.000 1.250 429 P CA -1.514 61.520 63.100 -0.109 0.000 0.793 429 P CB -0.106 31.336 31.700 -0.429 0.000 1.011 430 P HA 0.435 nan 4.420 nan 0.000 0.290 430 P C 0.083 177.701 177.300 0.531 0.000 1.275 430 P CA 0.216 63.499 63.100 0.305 0.000 0.841 430 P CB 1.337 33.172 31.700 0.224 0.000 1.042 431 G N 1.087 110.049 108.800 0.269 0.000 2.278 431 G HA2 0.134 4.094 3.960 -0.000 0.000 0.265 431 G HA3 0.134 4.094 3.960 -0.000 0.000 0.265 431 G C -1.938 172.827 174.900 -0.225 0.000 1.329 431 G CA -0.791 44.415 45.100 0.175 0.000 1.017 431 G HN 0.304 nan 8.290 nan 0.000 0.472 432 F N 1.200 121.108 119.950 -0.069 0.000 2.495 432 F HA 0.630 5.157 4.527 -0.000 0.000 0.327 432 F C 0.586 176.356 175.800 -0.050 0.000 1.103 432 F CA -0.514 57.442 58.000 -0.072 0.000 0.949 432 F CB 2.367 41.278 39.000 -0.148 0.000 1.142 432 F HN 0.451 nan 8.300 nan 0.000 0.457 433 Q N 4.214 124.162 119.800 0.246 0.000 2.314 433 Q HA 0.315 4.655 4.340 -0.000 0.000 0.257 433 Q C -0.970 175.105 176.000 0.124 0.000 0.975 433 Q CA -0.541 55.399 55.803 0.228 0.000 0.933 433 Q CB 1.077 29.935 28.738 0.200 0.000 1.195 433 Q HN 0.755 nan 8.270 nan 0.000 0.426 434 L N 5.544 126.799 121.223 0.054 0.000 2.325 434 L HA 0.316 4.656 4.340 -0.000 0.000 0.284 434 L C -1.264 175.514 176.870 -0.152 0.000 1.089 434 L CA -0.466 54.294 54.840 -0.133 0.000 0.836 434 L CB 0.703 42.611 42.059 -0.251 0.000 1.184 434 L HN 0.390 nan 8.230 nan 0.000 0.444 435 V N 5.773 125.587 119.914 -0.168 0.000 2.384 435 V HA 0.323 4.443 4.120 -0.000 0.000 0.287 435 V C -0.130 175.856 176.094 -0.180 0.000 1.020 435 V CA -0.511 61.746 62.300 -0.072 0.000 0.850 435 V CB 1.303 33.141 31.823 0.025 0.000 0.987 435 V HN 0.452 nan 8.190 nan 0.000 0.436 436 F N 5.013 124.889 119.950 -0.123 0.000 2.484 436 F HA 0.436 4.962 4.527 -0.000 0.000 0.360 436 F C 0.382 176.125 175.800 -0.096 0.000 1.101 436 F CA -0.104 57.808 58.000 -0.146 0.000 1.251 436 F CB 0.488 39.325 39.000 -0.271 0.000 1.132 436 F HN 0.201 nan 8.300 nan 0.000 0.570 437 L N 5.324 126.611 121.223 0.106 0.000 2.334 437 L HA 0.506 4.846 4.340 -0.000 0.000 0.276 437 L C -2.219 174.663 176.870 0.020 0.000 1.014 437 L CA -2.139 52.723 54.840 0.036 0.000 0.815 437 L CB 1.843 43.901 42.059 -0.002 0.000 1.268 437 L HN 0.382 nan 8.230 nan 0.000 0.428 438 P HA 0.218 nan 4.420 nan 0.000 0.277 438 P C -0.944 176.291 177.300 -0.108 0.000 1.240 438 P CA -0.238 62.847 63.100 -0.025 0.000 0.798 438 P CB 0.883 32.526 31.700 -0.094 0.000 0.979 439 F N 0.279 120.275 119.950 0.076 0.000 2.362 439 F HA 0.349 4.876 4.527 -0.000 0.000 0.311 439 F C 2.163 177.959 175.800 -0.005 0.000 1.161 439 F CA -0.422 57.578 58.000 -0.001 0.000 1.085 439 F CB 0.383 39.334 39.000 -0.082 0.000 1.311 439 F HN 0.351 nan 8.300 nan 0.000 0.524 440 A N 0.500 123.460 122.820 0.234 0.000 1.917 440 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 440 A C 1.610 179.252 177.584 0.096 0.000 1.182 440 A CA 2.383 54.490 52.037 0.117 0.000 0.633 440 A CB -0.994 18.061 19.000 0.092 0.000 0.819 440 A HN 0.850 nan 8.150 nan 0.000 0.448 441 D N 0.327 120.793 120.400 0.111 0.000 2.263 441 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 441 D C 0.900 177.252 176.300 0.087 0.000 0.971 441 D CA 1.240 55.288 54.000 0.079 0.000 0.867 441 D CB -0.175 40.661 40.800 0.059 0.000 0.929 441 D HN 0.478 nan 8.370 nan 0.000 0.492 442 D N 0.170 120.638 120.400 0.112 0.000 2.348 442 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 442 D C 0.386 176.708 176.300 0.037 0.000 0.998 442 D CA 0.379 54.429 54.000 0.082 0.000 0.873 442 D CB 0.277 41.140 40.800 0.106 0.000 0.925 442 D HN 0.215 nan 8.370 nan 0.000 0.524 443 K N 0.991 121.408 120.400 0.029 0.000 2.174 443 K HA 0.392 4.712 4.320 -0.000 0.000 0.275 443 K C -0.136 176.489 176.600 0.042 0.000 1.015 443 K CA -0.487 55.812 56.287 0.020 0.000 0.933 443 K CB 1.190 33.698 32.500 0.013 0.000 1.025 443 K HN -0.326 nan 8.250 nan 0.000 0.463 444 R N 2.383 122.912 120.500 0.049 0.000 2.412 444 R HA 0.158 4.497 4.340 -0.000 0.000 0.304 444 R C -0.654 175.680 176.300 0.058 0.000 1.066 444 R CA -0.503 55.627 56.100 0.049 0.000 0.923 444 R CB 0.944 31.271 30.300 0.046 0.000 1.156 444 R HN 0.447 nan 8.270 nan 0.000 0.513 445 K N 2.262 122.698 120.400 0.060 0.000 2.230 445 K HA 0.299 4.619 4.320 -0.000 0.000 0.253 445 K C -0.489 176.154 176.600 0.072 0.000 1.008 445 K CA 0.195 56.525 56.287 0.071 0.000 0.910 445 K CB 0.602 33.147 32.500 0.075 0.000 0.994 445 K HN 0.445 nan 8.250 nan 0.000 0.495 446 M N 3.412 123.067 119.600 0.093 0.000 2.393 446 M HA 0.341 4.821 4.480 -0.000 0.000 0.299 446 M C -2.164 174.223 176.300 0.145 0.000 1.103 446 M CA -1.950 53.406 55.300 0.095 0.000 0.910 446 M CB 2.039 34.691 32.600 0.087 0.000 1.659 446 M HN 0.636 nan 8.290 nan 0.000 0.445 447 P HA 0.480 nan 4.420 nan 0.000 0.274 447 P C -1.590 175.704 177.300 -0.010 0.000 1.246 447 P CA -0.163 62.907 63.100 -0.050 0.000 0.795 447 P CB 0.532 32.151 31.700 -0.135 0.000 1.006 448 F N -2.272 117.686 119.950 0.012 0.000 2.629 448 F HA 0.666 5.193 4.527 -0.000 0.000 0.316 448 F C 0.422 176.230 175.800 0.013 0.000 1.081 448 F CA -0.869 57.138 58.000 0.012 0.000 0.954 448 F CB 0.655 39.661 39.000 0.010 0.000 1.337 448 F HN 0.354 nan 8.300 nan 0.000 0.474 449 T N -2.184 112.425 114.554 0.091 0.000 3.070 449 T HA 0.414 4.764 4.350 -0.000 0.000 0.295 449 T C -0.396 174.427 174.700 0.206 0.000 1.221 449 T CA -0.783 61.343 62.100 0.044 0.000 0.926 449 T CB 0.399 69.291 68.868 0.040 0.000 2.158 449 T HN 0.672 nan 8.240 nan 0.000 0.573 450 E N 0.807 121.090 120.200 0.139 0.000 2.277 450 E HA 0.296 4.646 4.350 -0.000 0.000 0.274 450 E C -0.542 176.126 176.600 0.113 0.000 1.022 450 E CA -0.624 55.865 56.400 0.148 0.000 0.853 450 E CB 1.284 31.041 29.700 0.095 0.000 1.086 450 E HN 0.380 nan 8.360 nan 0.000 0.397 451 K N 3.317 123.772 120.400 0.091 0.000 2.349 451 K HA 0.173 4.493 4.320 -0.000 0.000 0.288 451 K C -0.746 175.879 176.600 0.041 0.000 1.058 451 K CA -0.000 56.320 56.287 0.055 0.000 0.953 451 K CB 0.281 32.795 32.500 0.023 0.000 0.997 451 K HN 0.437 nan 8.250 nan 0.000 0.477 452 I N 6.347 126.940 120.570 0.038 0.000 2.460 452 I HA 0.166 4.336 4.170 -0.000 0.000 0.277 452 I C -0.197 175.933 176.117 0.022 0.000 1.057 452 I CA -0.622 60.695 61.300 0.029 0.000 1.179 452 I CB 1.165 39.184 38.000 0.032 0.000 1.329 452 I HN 0.644 nan 8.210 nan 0.000 0.478 453 M N 4.077 123.686 119.600 0.015 0.000 2.242 453 M HA 0.453 4.933 4.480 -0.000 0.000 0.344 453 M C 0.525 176.828 176.300 0.006 0.000 1.140 453 M CA 0.147 55.453 55.300 0.010 0.000 1.160 453 M CB 1.079 33.682 32.600 0.006 0.000 1.491 453 M HN 0.648 nan 8.290 nan 0.000 0.459 454 A N 2.064 124.888 122.820 0.008 0.000 2.287 454 A HA 0.559 4.879 4.320 -0.000 0.000 0.273 454 A C -0.024 177.559 177.584 -0.002 0.000 1.091 454 A CA -0.386 51.652 52.037 0.002 0.000 0.817 454 A CB 0.179 19.189 19.000 0.018 0.000 1.069 454 A HN 0.806 nan 8.150 nan 0.000 0.492 455 T N -1.133 113.415 114.554 -0.010 0.000 2.922 455 T HA 0.488 4.838 4.350 -0.000 0.000 0.285 455 T C -1.747 172.951 174.700 -0.003 0.000 1.005 455 T CA -1.552 60.542 62.100 -0.010 0.000 1.061 455 T CB 1.219 70.076 68.868 -0.019 0.000 1.007 455 T HN 0.405 nan 8.240 nan 0.000 0.502 456 P HA -0.168 nan 4.420 nan 0.000 0.218 456 P C 1.141 178.444 177.300 0.005 0.000 1.146 456 P CA 1.152 64.253 63.100 0.002 0.000 0.813 456 P CB 0.227 31.926 31.700 -0.000 0.000 0.778 457 E N -0.118 120.081 120.200 -0.001 0.000 2.107 457 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 457 E C 2.115 178.722 176.600 0.011 0.000 0.982 457 E CA 0.754 57.154 56.400 -0.001 0.000 0.809 457 E CB -0.031 29.661 29.700 -0.014 0.000 0.756 457 E HN 0.312 nan 8.360 nan 0.000 0.459 458 Q N -0.115 119.689 119.800 0.007 0.000 2.020 458 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 458 Q C 2.360 178.430 176.000 0.116 0.000 0.974 458 Q CA 1.403 57.229 55.803 0.039 0.000 0.829 458 Q CB -0.001 28.726 28.738 -0.018 0.000 0.894 458 Q HN 0.142 nan 8.270 nan 0.000 0.433 459 V N 1.277 121.233 119.914 0.070 0.000 2.317 459 V HA -0.317 3.803 4.120 -0.000 0.000 0.251 459 V C 2.223 178.344 176.094 0.045 0.000 1.065 459 V CA 2.096 64.428 62.300 0.055 0.000 1.049 459 V CB -1.436 30.402 31.823 0.025 0.000 0.651 459 V HN 0.604 nan 8.190 nan 0.000 0.450 460 G N -0.355 108.469 108.800 0.040 0.000 2.514 460 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 460 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 460 G C 1.632 176.557 174.900 0.042 0.000 1.198 460 G CA 0.933 46.051 45.100 0.030 0.000 0.780 460 G HN 0.375 nan 8.290 nan 0.000 0.565 461 K N -0.480 119.971 120.400 0.085 0.000 2.152 461 K HA -0.028 4.292 4.320 -0.000 0.000 0.206 461 K C 2.413 179.042 176.600 0.048 0.000 1.048 461 K CA 1.078 57.433 56.287 0.113 0.000 0.933 461 K CB -0.350 32.293 32.500 0.237 0.000 0.721 461 K HN 0.346 nan 8.250 nan 0.000 0.447 462 M N 1.519 121.132 119.600 0.023 0.000 2.156 462 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 462 M C 1.635 177.872 176.300 -0.106 0.000 1.067 462 M CA 1.603 56.802 55.300 -0.169 0.000 1.131 462 M CB -0.167 32.341 32.600 -0.154 0.000 1.368 462 M HN -0.062 nan 8.290 nan 0.000 0.416 463 K N -0.347 120.026 120.400 -0.044 0.000 2.044 463 K HA -0.164 4.155 4.320 -0.000 0.000 0.210 463 K C 1.977 178.554 176.600 -0.038 0.000 1.049 463 K CA 1.667 57.932 56.287 -0.037 0.000 0.927 463 K CB -0.549 31.941 32.500 -0.017 0.000 0.713 463 K HN 0.449 nan 8.250 nan 0.000 0.443 464 A N 1.685 124.489 122.820 -0.026 0.000 1.892 464 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 464 A C 2.136 179.700 177.584 -0.034 0.000 1.188 464 A CA 1.597 53.622 52.037 -0.020 0.000 0.631 464 A CB -0.723 18.274 19.000 -0.005 0.000 0.822 464 A HN 0.224 nan 8.150 nan 0.000 0.447 465 I N -0.534 119.997 120.570 -0.065 0.000 2.226 465 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 465 I C 2.360 178.436 176.117 -0.068 0.000 1.100 465 I CA 1.201 62.451 61.300 -0.083 0.000 1.374 465 I CB -0.486 37.412 38.000 -0.171 0.000 1.057 465 I HN 0.161 nan 8.210 nan 0.000 0.413 466 V N 1.068 120.937 119.914 -0.076 0.000 2.332 466 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 466 V C 2.388 178.462 176.094 -0.032 0.000 1.055 466 V CA 1.951 64.217 62.300 -0.057 0.000 1.038 466 V CB -0.653 31.132 31.823 -0.063 0.000 0.651 466 V HN 0.468 nan 8.190 nan 0.000 0.450 467 E N -0.329 119.855 120.200 -0.027 0.000 2.150 467 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 467 E C 2.160 178.761 176.600 0.003 0.000 0.985 467 E CA 0.687 57.080 56.400 -0.013 0.000 0.814 467 E CB -0.157 29.536 29.700 -0.013 0.000 0.752 467 E HN 0.466 nan 8.360 nan 0.000 0.466 468 K N 0.606 121.006 120.400 0.001 0.000 2.283 468 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 468 K C 1.654 178.273 176.600 0.033 0.000 1.048 468 K CA 0.713 57.008 56.287 0.013 0.000 0.948 468 K CB -0.008 32.495 32.500 0.006 0.000 0.742 468 K HN 0.224 nan 8.250 nan 0.000 0.458 469 L N 0.822 122.067 121.223 0.037 0.000 2.848 469 L HA 0.217 4.557 4.340 -0.000 0.000 0.240 469 L C 0.881 177.831 176.870 0.133 0.000 1.232 469 L CA -0.387 54.503 54.840 0.084 0.000 1.031 469 L CB 0.008 42.108 42.059 0.068 0.000 1.338 469 L HN -0.010 nan 8.230 nan 0.000 0.509 470 R N 1.800 122.352 120.500 0.087 0.000 2.774 470 R HA 0.393 4.733 4.340 -0.000 0.000 0.269 470 R C -0.819 175.601 176.300 0.201 0.000 1.068 470 R CA 0.092 56.227 56.100 0.059 0.000 1.180 470 R CB 0.676 30.989 30.300 0.021 0.000 1.077 470 R HN 0.087 nan 8.270 nan 0.000 0.513 471 F N -2.272 117.696 119.950 0.030 0.000 2.793 471 F HA 0.210 4.737 4.527 -0.000 0.000 0.316 471 F C -1.811 174.021 175.800 0.052 0.000 1.147 471 F CA -1.028 56.994 58.000 0.036 0.000 0.930 471 F CB 0.922 39.950 39.000 0.047 0.000 1.277 471 F HN 0.306 nan 8.300 nan 0.000 0.443 472 T N 3.153 117.930 114.554 0.372 0.000 2.728 472 T HA 0.285 4.635 4.350 -0.000 0.000 0.296 472 T C -1.189 173.717 174.700 0.343 0.000 0.940 472 T CA -0.045 62.171 62.100 0.194 0.000 1.013 472 T CB 0.003 68.940 68.868 0.114 0.000 0.912 472 T HN 0.625 nan 8.240 nan 0.000 0.484 473 Y N 4.465 124.793 120.300 0.046 0.000 2.304 473 Y HA 0.506 5.056 4.550 -0.000 0.000 0.328 473 Y C 0.345 176.303 175.900 0.097 0.000 1.123 473 Y CA -1.055 57.156 58.100 0.185 0.000 1.218 473 Y CB 0.600 39.095 38.460 0.058 0.000 1.207 473 Y HN 0.597 nan 8.280 nan 0.000 0.495 474 R N 3.471 123.536 120.500 -0.725 0.000 2.621 474 R HA 0.317 4.657 4.340 -0.000 0.000 0.284 474 R C 0.198 175.992 176.300 -0.844 0.000 0.998 474 R CA 0.017 55.763 56.100 -0.590 0.000 0.895 474 R CB 1.632 31.763 30.300 -0.282 0.000 1.195 474 R HN 0.827 nan 8.270 nan 0.000 0.450 475 S N 1.298 116.677 115.700 -0.535 0.000 2.440 475 S HA -0.208 4.262 4.470 -0.000 0.000 0.240 475 S C 0.920 175.433 174.600 -0.145 0.000 1.014 475 S CA 1.510 59.551 58.200 -0.265 0.000 0.980 475 S CB -0.287 62.879 63.200 -0.057 0.000 0.775 475 S HN 0.833 nan 8.310 nan 0.000 0.499 476 D N 0.758 121.049 120.400 -0.181 0.000 2.336 476 D HA 0.234 4.874 4.640 -0.000 0.000 0.228 476 D C 1.116 177.312 176.300 -0.173 0.000 1.120 476 D CA 0.069 53.996 54.000 -0.122 0.000 0.839 476 D CB -0.260 40.473 40.800 -0.111 0.000 0.932 476 D HN 0.325 nan 8.370 nan 0.000 0.509 477 S N -0.382 115.154 115.700 -0.273 0.000 2.368 477 S HA 0.030 4.500 4.470 -0.000 0.000 0.225 477 S C 0.237 174.448 174.600 -0.649 0.000 1.030 477 S CA 0.645 58.516 58.200 -0.549 0.000 0.999 477 S CB -0.209 62.479 63.200 -0.854 0.000 0.844 477 S HN 0.332 nan 8.310 nan 0.000 0.459 478 F N 1.176 121.120 119.950 -0.010 0.000 2.508 478 F HA 0.503 5.030 4.527 -0.000 0.000 0.325 478 F C 0.277 176.081 175.800 0.006 0.000 1.090 478 F CA -1.208 56.795 58.000 0.004 0.000 0.945 478 F CB 1.064 40.084 39.000 0.035 0.000 1.156 478 F HN -0.126 nan 8.300 nan 0.000 0.463 479 E N 0.699 121.006 120.200 0.179 0.000 2.283 479 E HA 0.132 4.482 4.350 -0.000 0.000 0.271 479 E C -0.619 176.057 176.600 0.125 0.000 1.031 479 E CA -0.975 55.492 56.400 0.113 0.000 0.868 479 E CB 1.029 30.770 29.700 0.068 0.000 1.094 479 E HN 0.378 nan 8.360 nan 0.000 0.401 480 N N 2.965 121.725 118.700 0.101 0.000 2.405 480 N HA 0.036 4.776 4.740 -0.000 0.000 0.260 480 N C -1.997 173.565 175.510 0.087 0.000 1.152 480 N CA -1.651 51.452 53.050 0.089 0.000 0.948 480 N CB 0.917 39.455 38.487 0.085 0.000 1.111 480 N HN 0.173 nan 8.380 nan 0.000 0.485 481 P HA -0.222 nan 4.420 nan 0.000 0.217 481 P C 1.380 178.721 177.300 0.067 0.000 1.162 481 P CA 1.124 64.262 63.100 0.063 0.000 0.901 481 P CB 0.360 32.086 31.700 0.043 0.000 0.793 482 V N -0.940 119.009 119.914 0.059 0.000 2.270 482 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 482 V C 2.521 178.673 176.094 0.096 0.000 1.043 482 V CA 1.606 63.939 62.300 0.054 0.000 1.014 482 V CB -1.323 30.512 31.823 0.020 0.000 0.645 482 V HN 0.054 nan 8.190 nan 0.000 0.447 483 L N -0.383 120.917 121.223 0.128 0.000 2.013 483 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 483 L C 2.881 179.954 176.870 0.338 0.000 1.073 483 L CA 1.493 56.486 54.840 0.255 0.000 0.753 483 L CB -0.705 41.515 42.059 0.268 0.000 0.890 483 L HN 0.354 nan 8.230 nan 0.000 0.432 484 Q N -0.322 119.609 119.800 0.217 0.000 2.014 484 Q HA -0.294 4.046 4.340 -0.000 0.000 0.207 484 Q C 2.096 178.199 176.000 0.172 0.000 0.993 484 Q CA 1.830 57.743 55.803 0.183 0.000 0.850 484 Q CB -0.600 28.204 28.738 0.111 0.000 0.916 484 Q HN 0.392 nan 8.270 nan 0.000 0.417 485 Q N 0.108 119.983 119.800 0.125 0.000 2.029 485 Q HA -0.235 4.105 4.340 -0.000 0.000 0.209 485 Q C 2.003 178.061 176.000 0.097 0.000 0.999 485 Q CA 2.420 58.278 55.803 0.092 0.000 0.857 485 Q CB -0.711 28.069 28.738 0.071 0.000 0.926 485 Q HN 0.604 nan 8.270 nan 0.000 0.415 486 H N -1.000 118.059 119.070 -0.019 0.000 2.254 486 H HA -0.171 4.385 4.556 -0.000 0.000 0.294 486 H C 1.625 176.866 175.328 -0.144 0.000 1.071 486 H CA 2.578 58.541 56.048 -0.142 0.000 1.228 486 H CB -0.783 28.806 29.762 -0.289 0.000 1.358 486 H HN 0.375 nan 8.280 nan 0.000 0.495 487 F N -0.322 119.640 119.950 0.020 0.000 2.269 487 F HA -0.099 4.428 4.527 -0.000 0.000 0.301 487 F C 2.775 178.541 175.800 -0.057 0.000 1.082 487 F CA 1.129 59.090 58.000 -0.066 0.000 1.360 487 F CB -0.188 38.830 39.000 0.030 0.000 1.041 487 F HN 0.097 nan 8.300 nan 0.000 0.512 488 R N 0.912 121.498 120.500 0.142 0.000 2.075 488 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 488 R C 2.020 178.331 176.300 0.019 0.000 1.126 488 R CA 1.481 57.626 56.100 0.076 0.000 0.963 488 R CB -0.588 29.750 30.300 0.063 0.000 0.858 488 R HN 0.126 nan 8.270 nan 0.000 0.435 489 N N 0.111 118.800 118.700 -0.019 0.000 2.106 489 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 489 N C 1.553 177.015 175.510 -0.079 0.000 1.029 489 N CA 1.109 54.130 53.050 -0.049 0.000 0.848 489 N CB -0.296 38.151 38.487 -0.066 0.000 1.007 489 N HN 0.108 nan 8.380 nan 0.000 0.423 490 L N 2.277 123.406 121.223 -0.158 0.000 2.081 490 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 490 L C 2.292 179.135 176.870 -0.044 0.000 1.080 490 L CA 1.578 56.320 54.840 -0.163 0.000 0.754 490 L CB -0.657 41.222 42.059 -0.301 0.000 0.893 490 L HN 0.252 nan 8.230 nan 0.000 0.433 491 E N -1.101 119.101 120.200 0.004 0.000 2.015 491 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 491 E C 2.180 178.783 176.600 0.005 0.000 0.991 491 E CA 0.998 57.413 56.400 0.025 0.000 0.802 491 E CB -0.128 29.596 29.700 0.041 0.000 0.759 491 E HN 0.496 nan 8.360 nan 0.000 0.447 492 A N 1.441 124.259 122.820 -0.002 0.000 1.927 492 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 492 A C 2.226 179.805 177.584 -0.009 0.000 1.185 492 A CA 1.543 53.577 52.037 -0.006 0.000 0.639 492 A CB -0.818 18.176 19.000 -0.009 0.000 0.820 492 A HN 0.321 nan 8.150 nan 0.000 0.451 493 L N -1.348 119.864 121.223 -0.017 0.000 2.044 493 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 493 L C 3.065 179.931 176.870 -0.007 0.000 1.075 493 L CA 1.066 55.896 54.840 -0.017 0.000 0.747 493 L CB -0.666 41.375 42.059 -0.030 0.000 0.903 493 L HN 0.456 nan 8.230 nan 0.000 0.435 494 A N -0.285 122.533 122.820 -0.003 0.000 2.125 494 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 494 A C 1.914 179.504 177.584 0.010 0.000 1.156 494 A CA 1.138 53.180 52.037 0.008 0.000 0.671 494 A CB -0.422 18.589 19.000 0.019 0.000 0.794 494 A HN 0.433 nan 8.150 nan 0.000 0.459 495 L N -1.206 120.020 121.223 0.006 0.000 2.741 495 L HA 0.135 4.475 4.340 -0.000 0.000 0.237 495 L C 0.254 177.125 176.870 0.001 0.000 1.178 495 L CA -0.001 54.842 54.840 0.004 0.000 0.973 495 L CB -0.224 41.836 42.059 0.001 0.000 1.255 495 L HN 0.297 nan 8.230 nan 0.000 0.498 496 D N 0.942 121.342 120.400 0.001 0.000 2.782 496 D HA -0.233 4.407 4.640 -0.000 0.000 0.231 496 D C 0.319 176.617 176.300 -0.002 0.000 1.163 496 D CA 0.708 54.708 54.000 -0.001 0.000 0.680 496 D CB -0.520 40.281 40.800 0.002 0.000 1.062 496 D HN 0.222 nan 8.370 nan 0.000 0.425 497 L N -0.071 121.150 121.223 -0.004 0.000 2.452 497 L HA 0.090 4.430 4.340 -0.000 0.000 0.267 497 L C 2.112 178.979 176.870 -0.005 0.000 1.188 497 L CA -0.431 54.406 54.840 -0.005 0.000 0.821 497 L CB 0.481 42.537 42.059 -0.006 0.000 1.102 497 L HN 0.159 nan 8.230 nan 0.000 0.470 498 M N 1.074 120.671 119.600 -0.005 0.000 2.088 498 M HA -0.203 4.277 4.480 -0.000 0.000 0.256 498 M C 0.502 176.799 176.300 -0.005 0.000 1.071 498 M CA 1.909 57.206 55.300 -0.005 0.000 1.097 498 M CB -0.259 32.339 32.600 -0.005 0.000 1.315 498 M HN 0.681 nan 8.290 nan 0.000 0.406 499 E N -0.907 119.290 120.200 -0.005 0.000 2.454 499 E HA 0.488 4.838 4.350 -0.000 0.000 0.279 499 E C -2.788 173.809 176.600 -0.005 0.000 1.029 499 E CA -1.793 54.604 56.400 -0.005 0.000 0.831 499 E CB 1.427 31.125 29.700 -0.004 0.000 1.405 499 E HN -0.135 nan 8.360 nan 0.000 0.463 500 P HA 0.147 nan 4.420 nan 0.000 0.281 500 P C -1.000 176.301 177.300 0.001 0.000 1.281 500 P CA -0.432 62.666 63.100 -0.003 0.000 0.811 500 P CB 0.874 32.571 31.700 -0.005 0.000 1.154 501 E N 1.119 121.322 120.200 0.005 0.000 1.993 501 E HA 0.059 4.409 4.350 -0.000 0.000 0.271 501 E C -0.372 176.235 176.600 0.012 0.000 1.008 501 E CA -0.538 55.866 56.400 0.007 0.000 0.814 501 E CB 0.193 29.896 29.700 0.006 0.000 1.098 501 E HN 0.173 nan 8.360 nan 0.000 0.407 502 Q N 2.362 122.168 119.800 0.011 0.000 2.282 502 Q HA 0.074 4.414 4.340 -0.000 0.000 0.276 502 Q C 0.215 176.225 176.000 0.017 0.000 1.198 502 Q CA 0.143 55.955 55.803 0.014 0.000 0.943 502 Q CB 0.366 29.110 28.738 0.011 0.000 1.275 502 Q HN 0.561 nan 8.270 nan 0.000 0.424 503 A N 2.793 125.628 122.820 0.025 0.000 2.482 503 A HA 0.215 4.535 4.320 -0.000 0.000 0.249 503 A C 0.012 177.609 177.584 0.022 0.000 1.114 503 A CA -0.314 51.739 52.037 0.026 0.000 0.797 503 A CB 0.549 19.573 19.000 0.040 0.000 1.067 503 A HN 0.480 nan 8.150 nan 0.000 0.514 504 V N 1.593 121.520 119.914 0.021 0.000 2.334 504 V HA 0.180 4.300 4.120 -0.000 0.000 0.281 504 V C -0.207 175.905 176.094 0.030 0.000 1.016 504 V CA -0.609 61.703 62.300 0.019 0.000 0.832 504 V CB 1.258 33.087 31.823 0.010 0.000 0.999 504 V HN 0.870 nan 8.190 nan 0.000 0.439 505 D N 4.345 124.765 120.400 0.033 0.000 2.346 505 D HA 0.107 4.747 4.640 -0.000 0.000 0.267 505 D C 1.061 177.395 176.300 0.057 0.000 1.320 505 D CA 0.250 54.277 54.000 0.045 0.000 0.951 505 D CB 1.054 41.875 40.800 0.034 0.000 1.079 505 D HN 0.505 nan 8.370 nan 0.000 0.509 506 L N 2.571 123.847 121.223 0.088 0.000 2.313 506 L HA -0.067 4.273 4.340 -0.000 0.000 0.214 506 L C 2.532 179.528 176.870 0.210 0.000 1.119 506 L CA 0.843 55.758 54.840 0.125 0.000 0.809 506 L CB -0.710 41.426 42.059 0.128 0.000 0.933 506 L HN 0.375 nan 8.230 nan 0.000 0.449 507 T N -1.683 112.970 114.554 0.164 0.000 3.007 507 T HA -0.022 4.327 4.350 -0.000 0.000 0.270 507 T C 0.883 175.586 174.700 0.006 0.000 1.107 507 T CA 0.331 62.455 62.100 0.041 0.000 1.118 507 T CB -0.421 68.424 68.868 -0.038 0.000 0.889 507 T HN 0.109 nan 8.240 nan 0.000 0.506 508 L N 2.114 123.358 121.223 0.034 0.000 2.417 508 L HA 0.362 4.702 4.340 -0.000 0.000 0.268 508 L C -2.133 174.752 176.870 0.025 0.000 1.158 508 L CA -2.241 52.610 54.840 0.018 0.000 0.819 508 L CB 0.446 42.516 42.059 0.019 0.000 1.112 508 L HN 0.090 nan 8.230 nan 0.000 0.458 509 P HA 0.139 nan 4.420 nan 0.000 0.281 509 P C -1.215 176.095 177.300 0.015 0.000 1.252 509 P CA -0.481 62.631 63.100 0.019 0.000 0.778 509 P CB 0.375 32.086 31.700 0.018 0.000 0.895 510 K N 2.410 122.816 120.400 0.010 0.000 2.054 510 K HA 0.086 4.405 4.320 -0.000 0.000 0.242 510 K C 1.081 177.686 176.600 0.009 0.000 1.157 510 K CA -0.266 56.024 56.287 0.005 0.000 1.079 510 K CB -0.371 32.124 32.500 -0.008 0.000 1.331 510 K HN 0.178 nan 8.250 nan 0.000 0.317 511 V N 1.834 121.755 119.914 0.012 0.000 2.220 511 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 511 V C 2.049 178.151 176.094 0.013 0.000 1.049 511 V CA 1.708 64.017 62.300 0.014 0.000 1.003 511 V CB -0.193 31.640 31.823 0.015 0.000 0.634 511 V HN 0.675 nan 8.190 nan 0.000 0.444 512 E N 0.417 120.624 120.200 0.011 0.000 2.114 512 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 512 E C 2.249 178.855 176.600 0.010 0.000 1.008 512 E CA 1.834 58.240 56.400 0.010 0.000 0.810 512 E CB -0.879 28.826 29.700 0.008 0.000 0.739 512 E HN 0.608 nan 8.360 nan 0.000 0.456 513 A N 1.273 124.097 122.820 0.007 0.000 1.835 513 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 513 A C 2.406 179.997 177.584 0.011 0.000 1.199 513 A CA 2.099 54.140 52.037 0.006 0.000 0.615 513 A CB -0.756 18.244 19.000 0.001 0.000 0.838 513 A HN 0.198 nan 8.150 nan 0.000 0.444 514 M N -0.343 119.266 119.600 0.014 0.000 2.103 514 M HA -0.274 4.205 4.480 -0.000 0.000 0.255 514 M C 1.988 178.297 176.300 0.016 0.000 1.074 514 M CA 2.011 57.322 55.300 0.018 0.000 1.090 514 M CB -0.841 31.772 32.600 0.021 0.000 1.325 514 M HN 0.461 nan 8.290 nan 0.000 0.403 515 N N 0.609 119.319 118.700 0.016 0.000 2.007 515 N HA -0.196 4.544 4.740 -0.000 0.000 0.197 515 N C 1.519 177.039 175.510 0.016 0.000 1.050 515 N CA 1.608 54.669 53.050 0.018 0.000 0.856 515 N CB -0.565 37.933 38.487 0.019 0.000 1.050 515 N HN 0.345 nan 8.380 nan 0.000 0.423 516 K N 0.815 121.223 120.400 0.014 0.000 2.044 516 K HA -0.135 4.185 4.320 -0.000 0.000 0.210 516 K C 2.131 178.739 176.600 0.012 0.000 1.049 516 K CA 1.448 57.743 56.287 0.013 0.000 0.927 516 K CB -0.071 32.435 32.500 0.010 0.000 0.713 516 K HN 0.028 nan 8.250 nan 0.000 0.443 517 R N 0.331 120.839 120.500 0.013 0.000 2.193 517 R HA -0.032 4.307 4.340 -0.000 0.000 0.229 517 R C 2.034 178.341 176.300 0.012 0.000 1.110 517 R CA 0.993 57.101 56.100 0.013 0.000 0.988 517 R CB -0.047 30.263 30.300 0.016 0.000 0.871 517 R HN 0.281 nan 8.270 nan 0.000 0.458 518 L N -0.530 120.700 121.223 0.012 0.000 2.270 518 L HA 0.143 4.483 4.340 -0.000 0.000 0.210 518 L C 1.571 178.449 176.870 0.013 0.000 1.104 518 L CA 0.461 55.306 54.840 0.009 0.000 0.804 518 L CB -0.516 41.547 42.059 0.006 0.000 0.937 518 L HN 0.542 nan 8.230 nan 0.000 0.450 519 G N 0.749 109.559 108.800 0.015 0.000 2.596 519 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.295 519 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.295 519 G C 0.918 175.832 174.900 0.023 0.000 1.240 519 G CA 0.743 45.853 45.100 0.018 0.000 0.985 519 G HN 0.421 nan 8.290 nan 0.000 0.555 520 S N 0.161 115.875 115.700 0.023 0.000 2.522 520 S HA 0.218 4.688 4.470 -0.000 0.000 0.227 520 S C 2.482 177.105 174.600 0.039 0.000 0.986 520 S CA 1.338 59.556 58.200 0.029 0.000 0.929 520 S CB -0.104 63.111 63.200 0.025 0.000 0.769 520 S HN 0.714 nan 8.310 nan 0.000 0.529 521 L N 0.911 122.155 121.223 0.035 0.000 2.051 521 L HA -0.158 4.182 4.340 -0.000 0.000 0.214 521 L C 2.638 179.555 176.870 0.078 0.000 1.076 521 L CA 1.339 56.206 54.840 0.045 0.000 0.758 521 L CB -0.995 41.076 42.059 0.020 0.000 0.890 521 L HN 0.265 nan 8.230 nan 0.000 0.433 522 V N 0.023 119.976 119.914 0.065 0.000 2.220 522 V HA -0.357 3.763 4.120 -0.000 0.000 0.242 522 V C 2.140 178.310 176.094 0.127 0.000 1.041 522 V CA 2.288 64.646 62.300 0.097 0.000 0.990 522 V CB -0.489 31.377 31.823 0.073 0.000 0.634 522 V HN 0.451 nan 8.190 nan 0.000 0.452 523 D N -0.439 120.013 120.400 0.086 0.000 2.254 523 D HA -0.198 4.442 4.640 -0.000 0.000 0.201 523 D C 2.169 178.501 176.300 0.053 0.000 0.998 523 D CA 1.469 55.511 54.000 0.069 0.000 0.885 523 D CB -0.180 40.651 40.800 0.051 0.000 0.915 523 D HN 0.654 nan 8.370 nan 0.000 0.460 524 E N -1.125 119.113 120.200 0.064 0.000 2.230 524 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 524 E C 1.723 178.351 176.600 0.046 0.000 0.987 524 E CA 0.063 56.489 56.400 0.044 0.000 0.841 524 E CB -0.060 29.668 29.700 0.047 0.000 0.783 524 E HN 0.287 nan 8.360 nan 0.000 0.481 525 F N 2.401 122.316 119.950 -0.058 0.000 2.187 525 F HA -0.020 4.507 4.527 -0.000 0.000 0.295 525 F C 1.883 177.586 175.800 -0.161 0.000 1.091 525 F CA 1.209 59.148 58.000 -0.102 0.000 1.308 525 F CB 0.120 39.057 39.000 -0.106 0.000 1.030 525 F HN -0.257 nan 8.300 nan 0.000 0.487 526 K N 0.156 120.440 120.400 -0.193 0.000 2.044 526 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 526 K C 1.936 178.363 176.600 -0.288 0.000 1.049 526 K CA 1.671 57.777 56.287 -0.303 0.000 0.927 526 K CB -0.348 32.163 32.500 0.018 0.000 0.713 526 K HN 0.199 nan 8.250 nan 0.000 0.443 527 E N 0.876 120.983 120.200 -0.155 0.000 2.171 527 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 527 E C 1.929 178.425 176.600 -0.173 0.000 0.997 527 E CA 1.151 57.483 56.400 -0.113 0.000 0.810 527 E CB -0.138 29.524 29.700 -0.062 0.000 0.738 527 E HN 0.365 nan 8.360 nan 0.000 0.467 528 L N -0.114 120.939 121.223 -0.282 0.000 2.418 528 L HA -0.037 4.303 4.340 -0.000 0.000 0.218 528 L C 2.101 178.748 176.870 -0.372 0.000 1.125 528 L CA 0.442 55.109 54.840 -0.289 0.000 0.835 528 L CB 0.146 42.036 42.059 -0.282 0.000 0.953 528 L HN 0.033 nan 8.230 nan 0.000 0.454 529 V N -6.704 112.884 119.914 -0.543 0.000 3.408 529 V HA 0.155 4.275 4.120 -0.000 0.000 0.263 529 V C 0.465 176.388 176.094 -0.285 0.000 1.503 529 V CA -0.400 61.590 62.300 -0.517 0.000 1.046 529 V CB -0.261 31.040 31.823 -0.869 0.000 0.851 529 V HN 0.094 nan 8.190 nan 0.000 0.435 530 Y N 2.705 122.812 120.300 -0.323 0.000 2.417 530 Y HA 0.628 5.178 4.550 -0.000 0.000 0.336 530 Y C -2.171 173.633 175.900 -0.160 0.000 0.961 530 Y CA -2.684 55.227 58.100 -0.315 0.000 1.215 530 Y CB 1.266 39.571 38.460 -0.258 0.000 1.120 530 Y HN 0.179 nan 8.280 nan 0.000 0.499 531 P HA -0.124 nan 4.420 nan 0.000 0.268 531 P C -1.707 175.645 177.300 0.086 0.000 1.189 531 P CA -0.715 62.412 63.100 0.045 0.000 0.771 531 P CB 0.317 32.047 31.700 0.051 0.000 0.822 532 P HA -0.157 nan 4.420 nan 0.000 0.223 532 P C 0.104 177.448 177.300 0.073 0.000 1.144 532 P CA 1.519 64.657 63.100 0.064 0.000 0.783 532 P CB 0.021 31.744 31.700 0.039 0.000 0.771 533 D N -1.578 118.870 120.400 0.080 0.000 3.068 533 D HA 0.028 4.668 4.640 -0.000 0.000 0.327 533 D C -0.687 175.671 176.300 0.097 0.000 1.361 533 D CA -1.022 53.017 54.000 0.064 0.000 0.877 533 D CB -0.851 39.972 40.800 0.039 0.000 1.088 533 D HN 0.063 nan 8.370 nan 0.000 0.489 534 Y N 1.060 121.332 120.300 -0.047 0.000 2.334 534 Y HA 0.419 4.969 4.550 -0.000 0.000 0.328 534 Y C -0.297 175.536 175.900 -0.111 0.000 1.130 534 Y CA -1.139 56.902 58.100 -0.099 0.000 1.163 534 Y CB 1.232 39.586 38.460 -0.176 0.000 1.207 534 Y HN -0.140 nan 8.280 nan 0.000 0.471 535 N N 7.783 125.951 118.700 -0.886 0.000 3.322 535 N HA 0.235 4.975 4.740 -0.000 0.000 0.290 535 N C -2.215 172.712 175.510 -0.970 0.000 1.297 535 N CA -1.540 51.098 53.050 -0.686 0.000 1.167 535 N CB 0.533 38.758 38.487 -0.437 0.000 1.434 535 N HN 0.509 nan 8.380 nan 0.000 0.526 536 P HA -0.073 nan 4.420 nan 0.000 0.220 536 P C -0.033 177.155 177.300 -0.186 0.000 1.148 536 P CA 1.266 64.133 63.100 -0.387 0.000 0.803 536 P CB 0.461 32.120 31.700 -0.069 0.000 0.782 537 E N -1.656 118.441 120.200 -0.173 0.000 2.862 537 E HA 0.324 4.674 4.350 -0.000 0.000 0.204 537 E C 0.614 177.154 176.600 -0.101 0.000 0.966 537 E CA -0.272 56.070 56.400 -0.096 0.000 1.257 537 E CB 0.913 30.585 29.700 -0.045 0.000 1.053 537 E HN 0.101 nan 8.360 nan 0.000 0.487 560 S N 1.451 117.349 115.700 0.330 0.000 2.572 560 S HA 0.048 4.518 4.470 -0.000 0.000 0.279 560 S C 1.313 176.151 174.600 0.397 0.000 1.341 560 S CA -0.430 57.961 58.200 0.317 0.000 1.043 560 S CB 0.855 64.171 63.200 0.194 0.000 0.887 560 S HN 0.692 nan 8.310 nan 0.000 0.516 561 E N 2.135 122.618 120.200 0.472 0.000 2.136 561 E HA -0.297 4.053 4.350 -0.000 0.000 0.208 561 E C 1.673 178.514 176.600 0.402 0.000 1.035 561 E CA 1.836 58.584 56.400 0.580 0.000 0.838 561 E CB -0.219 29.726 29.700 0.408 0.000 0.748 561 E HN 0.698 nan 8.360 nan 0.000 0.459 562 E N 0.971 121.325 120.200 0.256 0.000 2.021 562 E HA -0.250 4.100 4.350 -0.000 0.000 0.200 562 E C 2.223 178.906 176.600 0.138 0.000 1.015 562 E CA 1.193 57.694 56.400 0.169 0.000 0.824 562 E CB -0.241 29.533 29.700 0.123 0.000 0.762 562 E HN 0.287 nan 8.360 nan 0.000 0.454 563 E N 0.930 121.222 120.200 0.152 0.000 2.055 563 E HA -0.264 4.086 4.350 -0.000 0.000 0.209 563 E C 2.265 178.974 176.600 0.181 0.000 1.036 563 E CA 1.500 57.987 56.400 0.147 0.000 0.849 563 E CB -0.203 29.643 29.700 0.244 0.000 0.767 563 E HN 0.181 nan 8.360 nan 0.000 0.461 564 L N 0.509 121.857 121.223 0.208 0.000 2.079 564 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 564 L C 2.817 179.561 176.870 -0.211 0.000 1.081 564 L CA 1.485 56.308 54.840 -0.029 0.000 0.752 564 L CB -0.425 41.431 42.059 -0.338 0.000 0.896 564 L HN 0.157 nan 8.230 nan 0.000 0.433 565 K N -0.404 119.937 120.400 -0.098 0.000 2.148 565 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 565 K C 1.886 178.464 176.600 -0.037 0.000 1.050 565 K CA 1.588 57.847 56.287 -0.047 0.000 0.942 565 K CB 0.067 32.647 32.500 0.132 0.000 0.724 565 K HN 0.274 nan 8.250 nan 0.000 0.446 566 T N 0.125 114.658 114.554 -0.036 0.000 2.851 566 T HA -0.058 4.292 4.350 -0.000 0.000 0.262 566 T C 1.518 176.159 174.700 -0.098 0.000 1.043 566 T CA 0.745 62.800 62.100 -0.075 0.000 1.140 566 T CB -0.299 68.498 68.868 -0.118 0.000 0.872 566 T HN 0.312 nan 8.240 nan 0.000 0.446 567 H N 0.935 119.976 119.070 -0.048 0.000 2.387 567 H HA 0.047 4.603 4.556 -0.000 0.000 0.299 567 H C 2.309 177.571 175.328 -0.110 0.000 1.099 567 H CA 1.110 57.123 56.048 -0.058 0.000 1.315 567 H CB -0.282 29.419 29.762 -0.101 0.000 1.380 567 H HN 0.352 nan 8.280 nan 0.000 0.513 568 I N -0.219 120.325 120.570 -0.042 0.000 2.252 568 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 568 I C 2.767 178.858 176.117 -0.044 0.000 1.102 568 I CA 1.080 62.328 61.300 -0.087 0.000 1.385 568 I CB -0.264 37.651 38.000 -0.142 0.000 1.064 568 I HN 0.119 nan 8.210 nan 0.000 0.414 569 S N 0.706 116.386 115.700 -0.034 0.000 2.382 569 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 569 S C 1.865 176.457 174.600 -0.014 0.000 1.027 569 S CA 1.276 59.465 58.200 -0.020 0.000 0.991 569 S CB -0.011 63.180 63.200 -0.016 0.000 0.823 569 S HN 0.231 nan 8.310 nan 0.000 0.469 570 K N 0.420 120.813 120.400 -0.012 0.000 2.404 570 K HA 0.244 4.564 4.320 -0.000 0.000 0.194 570 K C 1.207 177.817 176.600 0.017 0.000 1.023 570 K CA 0.641 56.929 56.287 0.001 0.000 1.094 570 K CB -0.403 32.093 32.500 -0.007 0.000 0.841 570 K HN 0.483 nan 8.250 nan 0.000 0.523 571 G N 2.417 111.224 108.800 0.012 0.000 2.273 571 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.280 571 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.280 571 G C 0.666 175.590 174.900 0.041 0.000 1.047 571 G CA 1.122 46.228 45.100 0.011 0.000 0.869 571 G HN 0.384 nan 8.290 nan 0.000 0.502 572 T N -3.275 111.333 114.554 0.089 0.000 3.044 572 T HA 0.369 4.719 4.350 -0.000 0.000 0.260 572 T C 2.103 176.895 174.700 0.154 0.000 1.019 572 T CA 0.829 63.030 62.100 0.167 0.000 0.921 572 T CB 0.282 69.321 68.868 0.286 0.000 1.053 572 T HN 0.532 nan 8.240 nan 0.000 0.533 573 L N 2.425 123.632 121.223 -0.026 0.000 2.046 573 L HA 0.313 4.653 4.340 -0.000 0.000 0.208 573 L C 2.524 179.260 176.870 -0.223 0.000 1.077 573 L CA 2.078 56.684 54.840 -0.389 0.000 0.747 573 L CB -1.003 40.783 42.059 -0.456 0.000 0.896 573 L HN 0.384 nan 8.230 nan 0.000 0.432 574 G N -0.983 107.763 108.800 -0.089 0.000 2.535 574 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 574 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 574 G C 1.389 176.316 174.900 0.045 0.000 1.122 574 G CA 0.385 45.466 45.100 -0.032 0.000 0.769 574 G HN 0.270 nan 8.290 nan 0.000 0.549 575 K N -0.066 120.399 120.400 0.108 0.000 2.444 575 K HA 0.174 4.494 4.320 -0.000 0.000 0.193 575 K C 0.005 176.717 176.600 0.188 0.000 1.024 575 K CA -0.586 55.778 56.287 0.129 0.000 1.077 575 K CB -0.058 32.516 32.500 0.123 0.000 0.833 575 K HN 0.237 nan 8.250 nan 0.000 0.517 576 F N 2.521 122.430 119.950 -0.069 0.000 2.563 576 F HA -0.047 4.480 4.527 -0.000 0.000 0.363 576 F C 1.615 177.383 175.800 -0.054 0.000 1.123 576 F CA -0.306 57.646 58.000 -0.080 0.000 1.307 576 F CB 0.203 39.123 39.000 -0.134 0.000 1.115 576 F HN -0.064 nan 8.300 nan 0.000 0.592 577 T N 0.166 114.734 114.554 0.022 0.000 2.868 577 T HA 0.318 4.668 4.350 -0.000 0.000 0.292 577 T C 1.358 176.081 174.700 0.038 0.000 1.028 577 T CA -0.302 61.806 62.100 0.013 0.000 1.059 577 T CB 1.090 69.942 68.868 -0.027 0.000 0.991 577 T HN 0.546 nan 8.240 nan 0.000 0.531 578 V N -1.523 118.406 119.914 0.024 0.000 2.490 578 V HA 0.018 4.138 4.120 -0.000 0.000 0.250 578 V C -0.894 175.207 176.094 0.012 0.000 1.061 578 V CA 0.803 63.115 62.300 0.020 0.000 1.064 578 V CB -2.233 29.596 31.823 0.009 0.000 0.670 578 V HN 0.669 nan 8.190 nan 0.000 0.461 579 P HA -0.039 nan 4.420 nan 0.000 0.216 579 P C 2.121 179.425 177.300 0.006 0.000 1.153 579 P CA 1.712 64.817 63.100 0.008 0.000 0.844 579 P CB -0.145 31.560 31.700 0.008 0.000 0.787 580 M N -1.590 118.009 119.600 -0.002 0.000 2.159 580 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 580 M C 2.013 178.272 176.300 -0.068 0.000 1.063 580 M CA 1.699 56.982 55.300 -0.029 0.000 1.110 580 M CB -0.946 31.537 32.600 -0.195 0.000 1.374 580 M HN -0.066 nan 8.290 nan 0.000 0.411 581 L N -0.182 121.067 121.223 0.042 0.000 2.093 581 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 581 L C 2.491 179.314 176.870 -0.078 0.000 1.085 581 L CA 1.266 56.096 54.840 -0.017 0.000 0.755 581 L CB -0.529 41.530 42.059 -0.000 0.000 0.904 581 L HN 0.280 nan 8.230 nan 0.000 0.435 582 K N -0.184 120.188 120.400 -0.046 0.000 1.973 582 K HA -0.158 4.162 4.320 -0.000 0.000 0.212 582 K C 2.012 178.588 176.600 -0.039 0.000 1.047 582 K CA 1.224 57.492 56.287 -0.031 0.000 0.937 582 K CB -0.198 32.298 32.500 -0.007 0.000 0.721 582 K HN 0.171 nan 8.250 nan 0.000 0.440 583 E N 0.682 120.860 120.200 -0.036 0.000 2.136 583 E HA -0.265 4.084 4.350 -0.000 0.000 0.202 583 E C 1.989 178.562 176.600 -0.045 0.000 1.019 583 E CA 1.567 57.969 56.400 0.003 0.000 0.819 583 E CB -0.343 29.418 29.700 0.101 0.000 0.739 583 E HN 0.374 nan 8.360 nan 0.000 0.458 584 A N 0.844 123.513 122.820 -0.252 0.000 1.877 584 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 584 A C 2.633 180.226 177.584 0.015 0.000 1.186 584 A CA 1.536 53.442 52.037 -0.217 0.000 0.620 584 A CB -0.899 17.857 19.000 -0.406 0.000 0.822 584 A HN 0.377 nan 8.150 nan 0.000 0.443 585 C N -0.892 118.385 119.300 -0.038 0.000 2.432 585 C HA -0.004 4.455 4.460 -0.000 0.000 0.280 585 C C 2.844 177.870 174.990 0.060 0.000 1.353 585 C CA 0.785 59.807 59.018 0.006 0.000 1.766 585 C CB -1.367 26.359 27.740 -0.022 0.000 1.924 585 C HN 0.567 nan 8.230 nan 0.000 0.509 586 R N 1.244 121.775 120.500 0.051 0.000 2.075 586 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 586 R C 2.411 178.750 176.300 0.065 0.000 1.126 586 R CA 1.524 57.655 56.100 0.051 0.000 0.963 586 R CB -0.489 29.836 30.300 0.043 0.000 0.858 586 R HN 0.509 nan 8.270 nan 0.000 0.435 587 A N 0.409 123.295 122.820 0.111 0.000 1.972 587 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 587 A C 1.014 178.531 177.584 -0.113 0.000 1.169 587 A CA 1.154 53.222 52.037 0.052 0.000 0.635 587 A CB -0.298 18.793 19.000 0.151 0.000 0.810 587 A HN 0.338 nan 8.150 nan 0.000 0.446 588 Y N -0.449 119.817 120.300 -0.057 0.000 2.607 588 Y HA 0.388 4.938 4.550 -0.000 0.000 0.266 588 Y C 1.677 177.528 175.900 -0.081 0.000 1.178 588 Y CA -0.735 57.290 58.100 -0.126 0.000 1.226 588 Y CB -0.529 37.708 38.460 -0.372 0.000 1.144 588 Y HN 0.323 nan 8.280 nan 0.000 0.528 589 G N 1.956 110.797 108.800 0.067 0.000 2.467 589 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.302 589 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.302 589 G C 0.259 175.197 174.900 0.064 0.000 0.930 589 G CA 0.829 45.959 45.100 0.050 0.000 1.008 589 G HN 0.540 nan 8.290 nan 0.000 0.512 590 L N -3.390 117.875 121.223 0.070 0.000 2.360 590 L HA 0.697 5.037 4.340 -0.000 0.000 0.271 590 L C 0.549 177.452 176.870 0.055 0.000 1.057 590 L CA -1.466 53.424 54.840 0.083 0.000 0.803 590 L CB 0.898 43.019 42.059 0.104 0.000 1.207 590 L HN -0.034 nan 8.230 nan 0.000 0.445 591 K N 2.533 122.968 120.400 0.057 0.000 2.402 591 K HA 0.061 4.381 4.320 -0.000 0.000 0.279 591 K C 0.478 177.094 176.600 0.027 0.000 1.082 591 K CA 0.116 56.425 56.287 0.038 0.000 1.080 591 K CB 0.193 32.714 32.500 0.036 0.000 0.899 591 K HN 0.902 nan 8.250 nan 0.000 0.469 592 S N 2.192 117.903 115.700 0.017 0.000 3.161 592 S HA 0.715 5.185 4.470 -0.000 0.000 0.214 592 S C 0.694 175.297 174.600 0.004 0.000 1.105 592 S CA -0.163 58.041 58.200 0.007 0.000 1.369 592 S CB 0.890 64.091 63.200 0.002 0.000 0.959 592 S HN 0.664 nan 8.310 nan 0.000 0.572 593 G N -0.959 107.841 108.800 0.000 0.000 2.490 593 G HA2 0.481 4.441 3.960 -0.000 0.000 0.308 593 G HA3 0.481 4.441 3.960 -0.000 0.000 0.308 593 G C -0.518 174.381 174.900 -0.001 0.000 1.286 593 G CA -0.438 44.662 45.100 -0.000 0.000 0.825 593 G HN 0.604 nan 8.290 nan 0.000 0.479 594 L N -0.595 120.628 121.223 -0.001 0.000 2.642 594 L HA 0.379 4.719 4.340 -0.000 0.000 0.233 594 L C 0.999 177.868 176.870 -0.001 0.000 1.077 594 L CA 0.133 54.972 54.840 -0.000 0.000 0.879 594 L CB 0.062 42.122 42.059 0.001 0.000 1.151 594 L HN 0.175 nan 8.230 nan 0.000 0.495 595 K N 0.632 121.030 120.400 -0.003 0.000 2.090 595 K HA 0.199 4.519 4.320 -0.000 0.000 0.249 595 K C 0.568 177.164 176.600 -0.007 0.000 0.995 595 K CA -0.490 55.795 56.287 -0.004 0.000 0.914 595 K CB 1.946 34.444 32.500 -0.004 0.000 1.057 595 K HN -0.154 nan 8.250 nan 0.000 0.462 596 K N 1.009 121.405 120.400 -0.006 0.000 2.021 596 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 596 K C 2.024 178.613 176.600 -0.018 0.000 1.047 596 K CA 1.302 57.583 56.287 -0.009 0.000 0.943 596 K CB 0.103 32.602 32.500 -0.002 0.000 0.725 596 K HN 0.452 nan 8.250 nan 0.000 0.439 597 Q N 1.586 121.377 119.800 -0.016 0.000 2.152 597 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 597 Q C 1.411 177.397 176.000 -0.023 0.000 0.985 597 Q CA 1.934 57.725 55.803 -0.020 0.000 0.863 597 Q CB -0.063 28.667 28.738 -0.014 0.000 0.904 597 Q HN 0.411 nan 8.270 nan 0.000 0.422 598 E N -0.348 119.842 120.200 -0.018 0.000 2.005 598 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 598 E C 2.065 178.649 176.600 -0.026 0.000 1.010 598 E CA 1.480 57.871 56.400 -0.016 0.000 0.825 598 E CB -0.396 29.298 29.700 -0.010 0.000 0.769 598 E HN 0.351 nan 8.360 nan 0.000 0.456 599 L N 0.898 122.102 121.223 -0.030 0.000 2.137 599 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 599 L C 2.628 179.451 176.870 -0.078 0.000 1.085 599 L CA 0.867 55.678 54.840 -0.048 0.000 0.760 599 L CB -0.464 41.567 42.059 -0.046 0.000 0.893 599 L HN 0.214 nan 8.230 nan 0.000 0.434 600 L N -0.497 120.681 121.223 -0.075 0.000 2.005 600 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 600 L C 2.622 179.439 176.870 -0.087 0.000 1.072 600 L CA 1.392 56.170 54.840 -0.103 0.000 0.744 600 L CB -0.255 41.757 42.059 -0.079 0.000 0.895 600 L HN 0.266 nan 8.230 nan 0.000 0.433 601 E N -0.226 119.943 120.200 -0.052 0.000 2.058 601 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 601 E C 2.142 178.730 176.600 -0.021 0.000 0.997 601 E CA 1.173 57.553 56.400 -0.033 0.000 0.801 601 E CB -0.258 29.431 29.700 -0.018 0.000 0.746 601 E HN 0.541 nan 8.360 nan 0.000 0.450 602 A N 1.768 124.579 122.820 -0.016 0.000 1.837 602 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 602 A C 2.270 179.872 177.584 0.030 0.000 1.210 602 A CA 1.553 53.597 52.037 0.013 0.000 0.632 602 A CB -1.130 17.873 19.000 0.005 0.000 0.843 602 A HN 0.182 nan 8.150 nan 0.000 0.448 603 L N -0.687 120.513 121.223 -0.039 0.000 2.064 603 L HA -0.274 4.066 4.340 -0.000 0.000 0.216 603 L C 2.815 179.661 176.870 -0.041 0.000 1.077 603 L CA 2.056 56.847 54.840 -0.081 0.000 0.766 603 L CB -1.006 40.890 42.059 -0.271 0.000 0.890 603 L HN 0.494 nan 8.230 nan 0.000 0.435 604 T N -1.091 113.415 114.554 -0.080 0.000 2.777 604 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 604 T C 1.918 176.655 174.700 0.061 0.000 1.040 604 T CA 1.384 63.448 62.100 -0.060 0.000 1.141 604 T CB -0.079 68.745 68.868 -0.073 0.000 0.868 604 T HN 0.282 nan 8.240 nan 0.000 0.444 605 K N 0.336 120.776 120.400 0.066 0.000 2.057 605 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 605 K C 2.304 178.978 176.600 0.123 0.000 1.050 605 K CA 1.152 57.483 56.287 0.073 0.000 0.935 605 K CB -0.297 32.230 32.500 0.046 0.000 0.715 605 K HN 0.385 nan 8.250 nan 0.000 0.439 606 H N -0.537 118.595 119.070 0.104 0.000 2.426 606 H HA -0.164 4.392 4.556 -0.000 0.000 0.298 606 H C 1.316 176.678 175.328 0.058 0.000 1.107 606 H CA 1.862 57.962 56.048 0.086 0.000 1.298 606 H CB 0.131 29.946 29.762 0.089 0.000 1.377 606 H HN 0.174 nan 8.280 nan 0.000 0.519 607 F N 0.032 120.005 119.950 0.039 0.000 2.287 607 F HA 0.017 4.544 4.527 -0.000 0.000 0.276 607 F C 2.975 178.762 175.800 -0.021 0.000 1.047 607 F CA 0.866 58.875 58.000 0.015 0.000 1.194 607 F CB -0.940 38.064 39.000 0.008 0.000 1.118 607 F HN 0.107 nan 8.300 nan 0.000 0.556 608 Q N 0.657 120.576 119.800 0.198 0.000 2.046 608 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 608 Q C 0.407 176.432 176.000 0.041 0.000 0.975 608 Q CA 1.541 57.398 55.803 0.090 0.000 0.836 608 Q CB -0.375 28.398 28.738 0.059 0.000 0.896 608 Q HN 0.199 nan 8.270 nan 0.000 0.428 609 D N 0.000 120.420 120.400 0.033 0.000 6.856 609 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 609 D CA 0.000 54.003 54.000 0.004 0.000 0.868 609 D CB 0.000 40.805 40.800 0.008 0.000 0.688 609 D HN 0.000 nan 8.370 nan 0.000 0.683