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 2cvc_1_A DATA FIRST_RESID 40 DATA SEQUENCE EKRADLIEIG AMERFGKLDL PKVAFRHDQH TTAVTGMGKD CAACHKSKDG DATA SEQUENCE KMSLKFMRLD DNSAAELKEI YHANCIGCHT DLAKAGKKTG PQDGECRSCH DATA SEQUENCE NPKPSAASSW KEIGFDKSLH YRHVASKAIK PVGDPQKNCG ACHHVYDEAS DATA SEQUENCE KKLVWGKNKE DSCRACHGEK PVDKRPALDT AAHTACISCH MDVAKTKAET DATA SEQUENCE GPVNCAGCHA PEAQAKFKVV REVPRLDRGQ PDAALILPVP GKDAPREMKG DATA SEQUENCE TMKPVAFDHK AHEAKANDCR TCHHVRIDTC TACHTVNGTA DSKFVQLEKA DATA SEQUENCE MHQPDSMRSC VGCHNTRVQQ PTCAGCHGFI KPTKSDAQCG VCHVAAPGFD DATA SEQUENCE AKQVEAGALL NLKAEQRSQV AASMLSARPQ PKGTFDLNDI PEKVVIGSIA DATA SEQUENCE KEYQPSEFPH RKIVKTLIAG IGEDKLAATF HIEKGTLCQG CHHNSPASLT DATA SEQUENCE PPKCASCHGK PXXXXXXDRP GLKAAYHQQC MGCHDRMKIE KPANTACVDC DATA SEQUENCE HKERAK 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 40 E HA 0.000 nan 4.350 nan 0.000 0.291 40 E C 0.000 176.614 176.600 0.023 0.000 1.382 40 E CA 0.000 56.408 56.400 0.014 0.000 0.976 40 E CB 0.000 29.707 29.700 0.012 0.000 0.812 41 K N 1.666 122.083 120.400 0.027 0.000 2.349 41 K HA 0.523 4.843 4.320 -0.000 0.000 0.289 41 K C -0.239 176.391 176.600 0.049 0.000 1.064 41 K CA -0.017 56.294 56.287 0.040 0.000 0.947 41 K CB 0.797 33.319 32.500 0.037 0.000 1.007 41 K HN -0.096 nan 8.250 nan 0.000 0.478 42 R N 1.836 122.377 120.500 0.067 0.000 2.744 42 R HA 0.572 4.912 4.340 -0.000 0.000 0.279 42 R C -0.311 176.068 176.300 0.132 0.000 0.977 42 R CA -0.952 55.198 56.100 0.084 0.000 0.906 42 R CB 2.152 32.492 30.300 0.068 0.000 1.197 42 R HN 0.730 nan 8.270 nan 0.000 0.463 43 A N 0.969 123.886 122.820 0.162 0.000 2.430 43 A HA 0.023 4.343 4.320 -0.000 0.000 0.243 43 A C 0.395 178.160 177.584 0.303 0.000 1.254 43 A CA 0.039 52.233 52.037 0.261 0.000 0.914 43 A CB 0.118 19.249 19.000 0.219 0.000 0.998 43 A HN 0.746 nan 8.150 nan 0.000 0.515 44 D N -0.209 120.316 120.400 0.208 0.000 2.462 44 D HA 0.173 4.813 4.640 -0.000 0.000 0.221 44 D C -0.023 176.381 176.300 0.173 0.000 1.173 44 D CA -0.220 53.904 54.000 0.206 0.000 0.831 44 D CB -0.433 40.480 40.800 0.188 0.000 1.001 44 D HN 0.326 nan 8.370 nan 0.000 0.499 45 L N 0.774 122.075 121.223 0.130 0.000 2.380 45 L HA 0.396 4.736 4.340 -0.000 0.000 0.273 45 L C 0.278 177.201 176.870 0.088 0.000 1.138 45 L CA -0.298 54.599 54.840 0.095 0.000 0.832 45 L CB 1.151 43.242 42.059 0.052 0.000 1.124 45 L HN -0.110 nan 8.230 nan 0.000 0.454 46 I N 2.488 123.144 120.570 0.144 0.000 2.466 46 I HA 0.218 4.388 4.170 -0.000 0.000 0.289 46 I C -0.379 175.778 176.117 0.066 0.000 1.026 46 I CA -0.549 60.815 61.300 0.107 0.000 1.078 46 I CB 2.265 40.379 38.000 0.190 0.000 1.249 46 I HN 0.532 nan 8.210 nan 0.000 0.429 47 E N 6.945 127.143 120.200 -0.002 0.000 2.014 47 E HA 0.382 4.732 4.350 -0.000 0.000 0.275 47 E C -0.799 175.764 176.600 -0.061 0.000 0.997 47 E CA -0.335 56.049 56.400 -0.028 0.000 0.804 47 E CB 0.551 30.229 29.700 -0.037 0.000 1.090 47 E HN 0.403 nan 8.360 nan 0.000 0.401 48 I N 4.088 124.592 120.570 -0.110 0.000 2.436 48 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 48 I C 1.069 177.079 176.117 -0.180 0.000 1.083 48 I CA 0.244 61.427 61.300 -0.195 0.000 1.372 48 I CB 0.970 38.735 38.000 -0.392 0.000 1.408 48 I HN 0.742 nan 8.210 nan 0.000 0.516 49 G N 4.047 112.782 108.800 -0.110 0.000 4.908 49 G HA2 0.323 4.283 3.960 -0.000 0.000 0.267 49 G HA3 0.323 4.283 3.960 -0.000 0.000 0.267 49 G C 0.938 175.835 174.900 -0.006 0.000 0.958 49 G CA 0.437 45.501 45.100 -0.059 0.000 0.743 49 G HN 0.708 nan 8.290 nan 0.000 0.410 50 A N 1.125 123.959 122.820 0.023 0.000 1.972 50 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 50 A C 2.222 179.915 177.584 0.183 0.000 1.169 50 A CA 1.688 53.796 52.037 0.117 0.000 0.635 50 A CB -0.418 18.717 19.000 0.225 0.000 0.810 50 A HN 0.531 nan 8.150 nan 0.000 0.446 51 M N -1.200 118.521 119.600 0.201 0.000 2.618 51 M HA 0.144 4.624 4.480 -0.000 0.000 0.240 51 M C 1.438 177.883 176.300 0.242 0.000 1.123 51 M CA 1.252 56.748 55.300 0.327 0.000 1.060 51 M CB -0.550 32.184 32.600 0.223 0.000 1.535 51 M HN 0.475 nan 8.290 nan 0.000 0.507 52 E N 2.608 122.875 120.200 0.112 0.000 2.265 52 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 52 E C 2.058 178.674 176.600 0.026 0.000 0.996 52 E CA 1.376 57.812 56.400 0.061 0.000 0.832 52 E CB 0.096 29.809 29.700 0.022 0.000 0.756 52 E HN 0.729 nan 8.360 nan 0.000 0.491 53 R N -0.652 119.831 120.500 -0.029 0.000 2.120 53 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 53 R C 1.589 177.751 176.300 -0.229 0.000 1.123 53 R CA 1.563 57.553 56.100 -0.183 0.000 0.975 53 R CB -0.614 29.484 30.300 -0.337 0.000 0.866 53 R HN 0.098 nan 8.270 nan 0.000 0.446 54 F N 0.747 120.702 119.950 0.008 0.000 2.710 54 F HA 0.331 4.858 4.527 -0.000 0.000 0.298 54 F C 1.270 177.072 175.800 0.003 0.000 1.137 54 F CA 0.970 58.974 58.000 0.006 0.000 1.444 54 F CB 0.534 39.540 39.000 0.009 0.000 1.111 54 F HN 0.401 nan 8.300 nan 0.000 0.580 55 G N -0.447 108.439 108.800 0.143 0.000 2.337 55 G HA2 0.186 4.146 3.960 -0.000 0.000 0.298 55 G HA3 0.186 4.146 3.960 -0.000 0.000 0.298 55 G C -1.593 173.343 174.900 0.060 0.000 1.335 55 G CA -1.414 43.737 45.100 0.084 0.000 0.875 55 G HN -0.067 nan 8.290 nan 0.000 0.579 56 K N 0.180 120.603 120.400 0.038 0.000 2.484 56 K HA 0.366 4.686 4.320 -0.000 0.000 0.280 56 K C 0.426 177.042 176.600 0.027 0.000 1.013 56 K CA 0.021 56.324 56.287 0.026 0.000 1.029 56 K CB 0.037 32.547 32.500 0.016 0.000 0.902 56 K HN 0.416 nan 8.250 nan 0.000 0.481 57 L N 4.497 125.733 121.223 0.022 0.000 2.349 57 L HA 0.112 4.452 4.340 -0.000 0.000 0.275 57 L C 0.803 177.674 176.870 0.001 0.000 1.115 57 L CA -0.506 54.344 54.840 0.017 0.000 0.820 57 L CB 0.988 43.060 42.059 0.022 0.000 1.135 57 L HN 0.777 nan 8.230 nan 0.000 0.445 58 D N 2.165 122.557 120.400 -0.014 0.000 2.123 58 D HA 0.085 4.725 4.640 -0.000 0.000 0.200 58 D C 0.432 176.705 176.300 -0.045 0.000 0.976 58 D CA 1.306 55.288 54.000 -0.030 0.000 0.831 58 D CB 0.255 41.028 40.800 -0.044 0.000 0.974 58 D HN 0.266 nan 8.370 nan 0.000 0.469 59 L N 0.601 121.784 121.223 -0.067 0.000 2.301 59 L HA 0.387 4.727 4.340 -0.000 0.000 0.264 59 L C -2.193 174.700 176.870 0.038 0.000 1.016 59 L CA -2.166 52.631 54.840 -0.072 0.000 0.821 59 L CB 1.959 43.838 42.059 -0.299 0.000 1.346 59 L HN -0.202 nan 8.230 nan 0.000 0.429 60 P HA 0.041 nan 4.420 nan 0.000 0.269 60 P C -0.993 176.390 177.300 0.138 0.000 1.217 60 P CA -0.147 63.009 63.100 0.093 0.000 0.783 60 P CB 0.431 32.179 31.700 0.079 0.000 0.898 61 K N 0.011 120.442 120.400 0.051 0.000 2.230 61 K HA 0.270 4.590 4.320 -0.000 0.000 0.253 61 K C -0.331 176.240 176.600 -0.048 0.000 1.008 61 K CA -0.487 55.797 56.287 -0.005 0.000 0.910 61 K CB 0.234 32.716 32.500 -0.029 0.000 0.994 61 K HN 0.162 nan 8.250 nan 0.000 0.495 62 V N 1.881 121.711 119.914 -0.139 0.000 2.334 62 V HA 0.251 4.371 4.120 -0.000 0.000 0.281 62 V C -0.146 175.898 176.094 -0.083 0.000 1.016 62 V CA -0.897 61.295 62.300 -0.179 0.000 0.832 62 V CB 1.069 32.682 31.823 -0.350 0.000 0.999 62 V HN 0.858 nan 8.190 nan 0.000 0.439 63 A N 5.441 128.248 122.820 -0.023 0.000 2.450 63 A HA 0.668 4.988 4.320 -0.000 0.000 0.255 63 A C -0.874 176.776 177.584 0.110 0.000 1.096 63 A CA 0.073 52.130 52.037 0.034 0.000 0.778 63 A CB 0.030 19.043 19.000 0.022 0.000 1.031 63 A HN 0.808 nan 8.150 nan 0.000 0.494 64 F N 2.389 122.314 119.950 -0.042 0.000 2.562 64 F HA 0.514 5.041 4.527 0.000 0.000 0.319 64 F C 0.060 175.894 175.800 0.055 0.000 1.154 64 F CA -0.639 57.343 58.000 -0.031 0.000 0.931 64 F CB 1.664 40.584 39.000 -0.133 0.000 1.198 64 F HN 0.593 nan 8.300 nan 0.000 0.444 65 R N 5.497 125.768 120.500 -0.381 0.000 2.235 65 R HA 0.134 4.474 4.340 -0.000 0.000 0.338 65 R C 1.079 177.189 176.300 -0.317 0.000 1.087 65 R CA -0.378 55.599 56.100 -0.205 0.000 0.948 65 R CB 0.363 30.593 30.300 -0.116 0.000 1.099 65 R HN 0.769 nan 8.270 nan 0.000 0.483 66 H N 2.610 121.612 119.070 -0.113 0.000 2.357 66 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 66 H C 0.508 175.892 175.328 0.094 0.000 1.082 66 H CA 1.701 57.799 56.048 0.084 0.000 1.342 66 H CB 0.658 30.591 29.762 0.284 0.000 1.389 66 H HN 0.541 nan 8.280 nan 0.000 0.511 67 D N 0.394 120.932 120.400 0.230 0.000 2.144 67 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 67 D C 2.254 178.585 176.300 0.052 0.000 0.978 67 D CA 0.715 54.813 54.000 0.164 0.000 0.833 67 D CB -0.315 40.568 40.800 0.139 0.000 0.961 67 D HN 0.513 nan 8.370 nan 0.000 0.470 68 Q N -0.238 119.552 119.800 -0.017 0.000 2.135 68 Q HA -0.211 4.128 4.340 -0.000 0.000 0.204 68 Q C 1.641 177.535 176.000 -0.175 0.000 0.981 68 Q CA 1.443 57.181 55.803 -0.108 0.000 0.856 68 Q CB 0.001 28.637 28.738 -0.170 0.000 0.902 68 Q HN 0.425 nan 8.270 nan 0.000 0.425 69 H N -0.676 118.280 119.070 -0.191 0.000 2.372 69 H HA -0.050 4.506 4.556 -0.000 0.000 0.301 69 H C 2.357 177.654 175.328 -0.052 0.000 1.065 69 H CA 2.199 58.161 56.048 -0.144 0.000 1.364 69 H CB -0.086 29.541 29.762 -0.225 0.000 1.406 69 H HN 0.490 nan 8.280 nan 0.000 0.521 70 T N -2.650 111.944 114.554 0.066 0.000 2.788 70 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 70 T C 2.025 176.764 174.700 0.064 0.000 1.044 70 T CA 1.623 63.773 62.100 0.083 0.000 1.139 70 T CB -0.682 68.266 68.868 0.133 0.000 0.867 70 T HN 0.220 nan 8.240 nan 0.000 0.454 71 T N 2.199 116.776 114.554 0.039 0.000 2.708 71 T HA 0.068 4.418 4.350 -0.000 0.000 0.266 71 T C 2.494 177.197 174.700 0.005 0.000 1.037 71 T CA 1.392 63.505 62.100 0.021 0.000 1.146 71 T CB -0.842 68.028 68.868 0.004 0.000 0.865 71 T HN 0.604 nan 8.240 nan 0.000 0.435 72 A N 0.881 123.688 122.820 -0.022 0.000 1.902 72 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 72 A C 2.591 180.183 177.584 0.013 0.000 1.181 72 A CA 1.326 53.347 52.037 -0.026 0.000 0.623 72 A CB -1.020 17.932 19.000 -0.080 0.000 0.818 72 A HN 0.347 nan 8.150 nan 0.000 0.443 73 V N -0.239 119.700 119.914 0.042 0.000 2.343 73 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 73 V C 2.744 178.870 176.094 0.053 0.000 1.051 73 V CA 2.485 64.824 62.300 0.065 0.000 1.036 73 V CB -1.265 30.617 31.823 0.097 0.000 0.654 73 V HN 0.607 nan 8.190 nan 0.000 0.451 74 T N 0.420 115.004 114.554 0.050 0.000 2.684 74 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 74 T C 1.878 176.596 174.700 0.031 0.000 1.036 74 T CA 1.643 63.769 62.100 0.044 0.000 1.148 74 T CB -0.671 68.223 68.868 0.045 0.000 0.863 74 T HN 0.631 nan 8.240 nan 0.000 0.436 75 G N 1.881 110.694 108.800 0.023 0.000 2.470 75 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.220 75 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.220 75 G C 1.372 176.282 174.900 0.016 0.000 1.121 75 G CA 0.857 45.965 45.100 0.015 0.000 0.766 75 G HN 0.655 nan 8.290 nan 0.000 0.553 76 M N -1.187 118.427 119.600 0.022 0.000 2.453 76 M HA 0.505 4.985 4.480 -0.000 0.000 0.239 76 M C 1.230 177.546 176.300 0.026 0.000 1.151 76 M CA 0.548 55.862 55.300 0.023 0.000 0.989 76 M CB 0.416 33.033 32.600 0.029 0.000 1.548 76 M HN 0.236 nan 8.290 nan 0.000 0.479 77 G N 1.258 110.074 108.800 0.027 0.000 2.132 77 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.234 77 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.234 77 G C -0.178 174.741 174.900 0.031 0.000 0.989 77 G CA 0.019 45.134 45.100 0.026 0.000 0.676 77 G HN 0.461 nan 8.290 nan 0.000 0.522 78 K N 0.122 120.545 120.400 0.039 0.000 2.354 78 K HA 0.777 5.097 4.320 -0.000 0.000 0.238 78 K C 0.111 176.744 176.600 0.055 0.000 1.068 78 K CA 0.023 56.337 56.287 0.045 0.000 0.925 78 K CB 1.516 34.047 32.500 0.051 0.000 1.286 78 K HN 0.377 nan 8.250 nan 0.000 0.500 79 D N -2.423 118.015 120.400 0.064 0.000 3.009 79 D HA 0.131 4.771 4.640 -0.000 0.000 0.318 79 D C 0.963 177.326 176.300 0.105 0.000 1.273 79 D CA -0.533 53.515 54.000 0.080 0.000 1.001 79 D CB -0.331 40.510 40.800 0.069 0.000 1.411 79 D HN 0.378 nan 8.370 nan 0.000 0.577 80 C N 0.367 119.748 119.300 0.134 0.000 2.403 80 C HA 0.084 4.544 4.460 -0.000 0.000 0.279 80 C C 2.749 177.841 174.990 0.171 0.000 1.269 80 C CA 1.458 60.600 59.018 0.205 0.000 1.774 80 C CB -1.712 26.151 27.740 0.205 0.000 1.993 80 C HN 0.700 nan 8.230 nan 0.000 0.496 81 A N 0.601 123.483 122.820 0.103 0.000 2.125 81 A HA 0.144 4.464 4.320 -0.000 0.000 0.219 81 A C 2.321 179.918 177.584 0.021 0.000 1.156 81 A CA 1.677 53.750 52.037 0.061 0.000 0.671 81 A CB -0.608 18.415 19.000 0.039 0.000 0.794 81 A HN 0.632 nan 8.150 nan 0.000 0.459 82 A N -1.811 121.030 122.820 0.034 0.000 2.070 82 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 82 A C 1.855 179.410 177.584 -0.048 0.000 1.159 82 A CA 1.803 53.847 52.037 0.012 0.000 0.656 82 A CB -0.625 18.408 19.000 0.055 0.000 0.800 82 A HN 0.655 nan 8.150 nan 0.000 0.453 83 C N -2.741 116.510 119.300 -0.082 0.000 3.836 83 C HA 0.326 4.786 4.460 -0.000 0.000 0.470 83 C C 0.276 174.984 174.990 -0.471 0.000 1.496 83 C CA -0.678 58.173 59.018 -0.278 0.000 2.135 83 C CB -0.436 27.246 27.740 -0.096 0.000 3.162 83 C HN 0.551 nan 8.230 nan 0.000 0.666 84 H N 1.724 120.764 119.070 -0.050 0.000 2.505 84 H HA 0.395 4.951 4.556 -0.000 0.000 0.338 84 H C -0.529 174.764 175.328 -0.059 0.000 1.057 84 H CA 0.087 56.109 56.048 -0.042 0.000 1.202 84 H CB 1.161 30.942 29.762 0.031 0.000 1.466 84 H HN 0.327 nan 8.280 nan 0.000 0.499 85 K N 1.244 121.665 120.400 0.034 0.000 2.090 85 K HA 0.464 4.784 4.320 -0.000 0.000 0.250 85 K C -0.072 176.544 176.600 0.028 0.000 1.004 85 K CA -0.540 55.747 56.287 0.001 0.000 0.919 85 K CB 1.024 33.499 32.500 -0.043 0.000 1.045 85 K HN 0.408 nan 8.250 nan 0.000 0.471 86 S N 0.681 116.387 115.700 0.011 0.000 2.568 86 S HA 0.442 4.912 4.470 -0.000 0.000 0.293 86 S C -1.176 173.425 174.600 0.000 0.000 1.089 86 S CA -0.769 57.437 58.200 0.009 0.000 0.945 86 S CB 1.642 64.849 63.200 0.011 0.000 1.077 86 S HN 0.352 nan 8.310 nan 0.000 0.485 87 K N 1.889 122.289 120.400 0.000 0.000 2.640 87 K HA 0.395 4.715 4.320 -0.000 0.000 0.245 87 K C -1.580 175.020 176.600 -0.001 0.000 0.962 87 K CA -0.213 56.073 56.287 -0.002 0.000 0.896 87 K CB 0.240 32.738 32.500 -0.003 0.000 1.147 87 K HN 0.539 nan 8.250 nan 0.000 0.445 88 D N 3.689 124.089 120.400 -0.000 0.000 2.716 88 D HA -0.157 4.483 4.640 -0.000 0.000 0.239 88 D C 0.642 176.943 176.300 0.002 0.000 1.125 88 D CA 1.800 55.801 54.000 0.001 0.000 0.681 88 D CB -1.211 39.590 40.800 0.002 0.000 1.070 88 D HN 1.005 nan 8.370 nan 0.000 0.432 89 G N -0.118 108.683 108.800 0.002 0.000 2.189 89 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.267 89 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.267 89 G C 0.337 175.238 174.900 0.002 0.000 0.975 89 G CA 0.912 46.014 45.100 0.003 0.000 0.644 89 G HN 0.638 nan 8.290 nan 0.000 0.537 90 K N 0.327 120.727 120.400 0.000 0.000 2.265 90 K HA 0.646 4.966 4.320 -0.000 0.000 0.267 90 K C 0.441 177.039 176.600 -0.003 0.000 0.994 90 K CA -0.988 55.297 56.287 -0.003 0.000 0.860 90 K CB 0.593 33.091 32.500 -0.005 0.000 1.099 90 K HN 0.171 nan 8.250 nan 0.000 0.448 91 M N 3.522 123.117 119.600 -0.009 0.000 2.188 91 M HA 0.053 4.533 4.480 -0.000 0.000 0.354 91 M C -0.162 176.127 176.300 -0.018 0.000 1.342 91 M CA 0.194 55.488 55.300 -0.010 0.000 1.117 91 M CB 1.083 33.667 32.600 -0.027 0.000 1.670 91 M HN 0.656 nan 8.290 nan 0.000 0.466 92 S N 3.829 119.536 115.700 0.011 0.000 2.564 92 S HA 0.230 4.700 4.470 -0.000 0.000 0.278 92 S C 0.840 175.455 174.600 0.024 0.000 1.333 92 S CA -0.539 57.677 58.200 0.028 0.000 1.048 92 S CB 0.477 63.706 63.200 0.050 0.000 0.900 92 S HN 0.830 nan 8.310 nan 0.000 0.505 93 L N 3.251 124.483 121.223 0.015 0.000 2.591 93 L HA 0.192 4.532 4.340 -0.000 0.000 0.228 93 L C 0.904 177.900 176.870 0.211 0.000 1.133 93 L CA 0.268 55.103 54.840 -0.008 0.000 0.880 93 L CB -0.256 41.801 42.059 -0.004 0.000 1.033 93 L HN 0.546 nan 8.230 nan 0.000 0.450 94 K N 0.407 120.931 120.400 0.207 0.000 2.126 94 K HA 0.142 4.462 4.320 -0.000 0.000 0.257 94 K C -0.545 176.183 176.600 0.213 0.000 1.007 94 K CA -0.661 55.740 56.287 0.190 0.000 0.928 94 K CB 0.935 33.489 32.500 0.090 0.000 1.013 94 K HN -0.227 nan 8.250 nan 0.000 0.473 95 F N 3.770 123.682 119.950 -0.062 0.000 2.438 95 F HA 0.069 4.596 4.527 0.000 0.000 0.360 95 F C 0.218 175.862 175.800 -0.259 0.000 1.118 95 F CA -0.112 57.746 58.000 -0.237 0.000 1.164 95 F CB 0.160 39.013 39.000 -0.244 0.000 1.131 95 F HN 0.487 nan 8.300 nan 0.000 0.527 96 M N 5.587 124.729 119.600 -0.763 0.000 2.302 96 M HA -0.280 4.200 4.480 -0.000 0.000 0.200 96 M C -0.383 175.693 176.300 -0.375 0.000 0.366 96 M CA 1.229 56.118 55.300 -0.684 0.000 0.440 96 M CB -1.996 29.962 32.600 -1.070 0.000 1.475 96 M HN 0.814 nan 8.290 nan 0.000 0.905 97 R N -2.300 118.066 120.500 -0.223 0.000 2.765 97 R HA 0.579 4.919 4.340 -0.000 0.000 0.277 97 R C -0.550 175.710 176.300 -0.067 0.000 1.028 97 R CA -1.107 54.910 56.100 -0.139 0.000 0.860 97 R CB 0.622 30.834 30.300 -0.147 0.000 1.270 97 R HN 0.098 nan 8.270 nan 0.000 0.484 98 L N -0.555 120.640 121.223 -0.046 0.000 2.537 98 L HA 0.374 4.714 4.340 -0.000 0.000 0.224 98 L C -0.147 176.721 176.870 -0.003 0.000 1.065 98 L CA 0.317 55.147 54.840 -0.017 0.000 0.860 98 L CB 0.253 42.301 42.059 -0.018 0.000 1.086 98 L HN 0.565 nan 8.230 nan 0.000 0.482 99 D N -0.784 119.613 120.400 -0.006 0.000 2.581 99 D HA 0.261 4.901 4.640 -0.000 0.000 0.232 99 D C -1.319 175.001 176.300 0.033 0.000 1.143 99 D CA -0.496 53.514 54.000 0.018 0.000 0.881 99 D CB 2.378 43.188 40.800 0.018 0.000 1.500 99 D HN -0.176 nan 8.370 nan 0.000 0.458 100 D N 1.119 121.570 120.400 0.085 0.000 2.467 100 D HA 0.219 4.859 4.640 -0.000 0.000 0.220 100 D C 0.698 177.134 176.300 0.227 0.000 1.103 100 D CA -0.348 53.753 54.000 0.168 0.000 0.886 100 D CB 0.800 41.763 40.800 0.271 0.000 1.025 100 D HN 0.151 nan 8.370 nan 0.000 0.514 101 N N 0.361 119.119 118.700 0.098 0.000 2.402 101 N HA -0.016 4.724 4.740 -0.000 0.000 0.174 101 N C 0.392 175.908 175.510 0.010 0.000 1.027 101 N CA 0.393 53.486 53.050 0.071 0.000 0.891 101 N CB 0.538 39.027 38.487 0.003 0.000 1.016 101 N HN 0.442 nan 8.380 nan 0.000 0.439 102 S N -1.781 113.758 115.700 -0.269 0.000 2.611 102 S HA 0.643 5.113 4.470 -0.000 0.000 0.268 102 S C 0.476 174.400 174.600 -1.127 0.000 1.156 102 S CA -0.274 57.547 58.200 -0.632 0.000 0.817 102 S CB 1.403 64.432 63.200 -0.286 0.000 1.122 102 S HN 0.039 nan 8.310 nan 0.000 0.466 103 A N 1.249 123.347 122.820 -1.203 0.000 1.902 103 A HA 0.307 4.627 4.320 -0.000 0.000 0.217 103 A C 2.334 179.710 177.584 -0.347 0.000 1.181 103 A CA 2.081 53.676 52.037 -0.735 0.000 0.623 103 A CB -1.657 17.135 19.000 -0.346 0.000 0.818 103 A HN 1.648 nan 8.150 nan 0.000 0.443 104 A N -0.397 122.265 122.820 -0.264 0.000 1.877 104 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 104 A C 2.049 179.550 177.584 -0.138 0.000 1.186 104 A CA 1.887 53.833 52.037 -0.151 0.000 0.620 104 A CB -0.592 18.341 19.000 -0.112 0.000 0.822 104 A HN 0.666 nan 8.150 nan 0.000 0.443 105 E N -0.876 119.224 120.200 -0.168 0.000 2.077 105 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 105 E C 1.871 178.393 176.600 -0.129 0.000 0.989 105 E CA 1.139 57.460 56.400 -0.131 0.000 0.800 105 E CB -0.152 29.471 29.700 -0.130 0.000 0.746 105 E HN 0.411 nan 8.360 nan 0.000 0.452 106 L N 1.496 122.628 121.223 -0.152 0.000 2.056 106 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 106 L C 2.357 179.223 176.870 -0.006 0.000 1.078 106 L CA 1.807 56.592 54.840 -0.092 0.000 0.749 106 L CB -0.435 41.614 42.059 -0.016 0.000 0.901 106 L HN 0.008 nan 8.230 nan 0.000 0.433 107 K N -0.777 119.608 120.400 -0.025 0.000 2.057 107 K HA -0.261 4.059 4.320 -0.000 0.000 0.207 107 K C 2.077 178.632 176.600 -0.076 0.000 1.049 107 K CA 1.671 57.922 56.287 -0.060 0.000 0.931 107 K CB -0.028 32.401 32.500 -0.118 0.000 0.714 107 K HN 0.247 nan 8.250 nan 0.000 0.440 108 E N 1.031 121.206 120.200 -0.042 0.000 2.107 108 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 108 E C 1.770 178.376 176.600 0.009 0.000 0.982 108 E CA 1.213 57.615 56.400 0.004 0.000 0.809 108 E CB -0.165 29.527 29.700 -0.015 0.000 0.756 108 E HN 0.409 nan 8.360 nan 0.000 0.459 109 I N -0.256 120.277 120.570 -0.062 0.000 2.163 109 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 109 I C 1.876 177.991 176.117 -0.003 0.000 1.085 109 I CA 1.414 62.644 61.300 -0.116 0.000 1.347 109 I CB -0.360 37.484 38.000 -0.260 0.000 1.044 109 I HN 0.198 nan 8.210 nan 0.000 0.408 110 Y N -0.068 120.291 120.300 0.099 0.000 2.133 110 Y HA -0.276 4.274 4.550 0.000 0.000 0.287 110 Y C 2.688 178.678 175.900 0.149 0.000 1.134 110 Y CA 1.754 59.925 58.100 0.118 0.000 1.133 110 Y CB -0.523 37.904 38.460 -0.054 0.000 0.987 110 Y HN 0.187 nan 8.280 nan 0.000 0.502 111 H N -1.276 117.914 119.070 0.200 0.000 2.326 111 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 111 H C 2.319 177.693 175.328 0.077 0.000 1.081 111 H CA 0.437 56.553 56.048 0.114 0.000 1.334 111 H CB -0.033 29.786 29.762 0.095 0.000 1.385 111 H HN 0.396 nan 8.280 nan 0.000 0.504 112 A N 1.240 124.176 122.820 0.194 0.000 1.883 112 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 112 A C 2.097 179.732 177.584 0.085 0.000 1.186 112 A CA 1.830 53.928 52.037 0.100 0.000 0.624 112 A CB -0.261 18.769 19.000 0.051 0.000 0.822 112 A HN 0.434 nan 8.150 nan 0.000 0.444 113 N N -0.597 118.176 118.700 0.122 0.000 2.305 113 N HA -0.071 4.669 4.740 -0.000 0.000 0.179 113 N C 1.850 177.473 175.510 0.189 0.000 1.019 113 N CA 1.366 54.494 53.050 0.131 0.000 0.869 113 N CB -0.493 38.026 38.487 0.052 0.000 1.000 113 N HN 0.492 nan 8.380 nan 0.000 0.431 114 C N 1.429 120.852 119.300 0.205 0.000 2.413 114 C HA -0.012 4.448 4.460 -0.000 0.000 0.277 114 C C 2.800 177.632 174.990 -0.263 0.000 1.228 114 C CA 0.385 59.366 59.018 -0.061 0.000 1.731 114 C CB -1.070 26.605 27.740 -0.110 0.000 2.042 114 C HN 0.374 nan 8.230 nan 0.000 0.468 115 I N 1.068 121.581 120.570 -0.096 0.000 2.500 115 I HA -0.018 4.152 4.170 -0.000 0.000 0.252 115 I C 2.731 178.848 176.117 -0.000 0.000 1.142 115 I CA 1.411 62.669 61.300 -0.070 0.000 1.451 115 I CB -1.005 36.992 38.000 -0.006 0.000 1.093 115 I HN 0.437 nan 8.210 nan 0.000 0.430 116 G N 0.393 109.204 108.800 0.019 0.000 2.446 116 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.217 116 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.217 116 G C 1.897 176.832 174.900 0.059 0.000 1.168 116 G CA 1.055 46.179 45.100 0.039 0.000 0.771 116 G HN 0.490 nan 8.290 nan 0.000 0.551 117 C N 0.181 119.518 119.300 0.061 0.000 2.429 117 C HA -0.004 4.456 4.460 -0.000 0.000 0.277 117 C C 2.557 177.666 174.990 0.197 0.000 1.262 117 C CA 1.378 60.465 59.018 0.115 0.000 1.733 117 C CB -1.374 26.452 27.740 0.143 0.000 2.010 117 C HN 0.640 nan 8.230 nan 0.000 0.483 118 H N -0.452 118.667 119.070 0.082 0.000 2.421 118 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 118 H C 2.341 177.693 175.328 0.040 0.000 1.087 118 H CA 1.715 57.799 56.048 0.061 0.000 1.330 118 H CB -0.047 29.754 29.762 0.065 0.000 1.388 118 H HN 0.513 nan 8.280 nan 0.000 0.526 119 T N 0.325 114.978 114.554 0.165 0.000 2.770 119 T HA -0.118 4.232 4.350 -0.000 0.000 0.263 119 T C 1.417 176.159 174.700 0.070 0.000 1.039 119 T CA 1.274 63.430 62.100 0.094 0.000 1.142 119 T CB -0.211 68.697 68.868 0.066 0.000 0.868 119 T HN 0.343 nan 8.240 nan 0.000 0.435 120 D N 1.283 121.726 120.400 0.070 0.000 2.144 120 D HA -0.011 4.629 4.640 -0.000 0.000 0.199 120 D C 2.099 178.428 176.300 0.049 0.000 0.984 120 D CA 0.706 54.737 54.000 0.052 0.000 0.834 120 D CB -0.364 40.467 40.800 0.051 0.000 0.955 120 D HN 0.302 nan 8.370 nan 0.000 0.465 121 L N 0.504 121.765 121.223 0.063 0.000 2.093 121 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 121 L C 2.503 179.389 176.870 0.027 0.000 1.085 121 L CA 0.904 55.771 54.840 0.044 0.000 0.755 121 L CB -0.361 41.728 42.059 0.050 0.000 0.904 121 L HN -0.021 nan 8.230 nan 0.000 0.435 122 A N 1.114 123.953 122.820 0.032 0.000 1.877 122 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 122 A C 2.245 179.838 177.584 0.015 0.000 1.186 122 A CA 1.847 53.895 52.037 0.018 0.000 0.620 122 A CB -0.376 18.639 19.000 0.024 0.000 0.822 122 A HN 0.471 nan 8.150 nan 0.000 0.443 123 K N -0.294 120.118 120.400 0.020 0.000 2.365 123 K HA 0.207 4.527 4.320 -0.000 0.000 0.199 123 K C 1.623 178.230 176.600 0.013 0.000 1.045 123 K CA 0.988 57.284 56.287 0.015 0.000 0.962 123 K CB -0.277 32.233 32.500 0.017 0.000 0.759 123 K HN 0.316 nan 8.250 nan 0.000 0.469 124 A N 1.620 124.448 122.820 0.014 0.000 2.208 124 A HA 0.258 4.578 4.320 -0.000 0.000 0.209 124 A C 1.513 179.101 177.584 0.006 0.000 1.161 124 A CA 0.599 52.642 52.037 0.011 0.000 0.782 124 A CB -0.467 18.542 19.000 0.014 0.000 0.816 124 A HN 0.497 nan 8.150 nan 0.000 0.477 125 G N -0.508 108.295 108.800 0.004 0.000 2.147 125 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 125 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 125 G C 0.008 174.905 174.900 -0.005 0.000 1.005 125 G CA 0.463 45.563 45.100 -0.001 0.000 0.713 125 G HN 0.425 nan 8.290 nan 0.000 0.515 126 K N 0.151 120.548 120.400 -0.004 0.000 2.123 126 K HA 0.417 4.737 4.320 -0.000 0.000 0.248 126 K C 0.699 177.285 176.600 -0.023 0.000 0.969 126 K CA -0.960 55.321 56.287 -0.010 0.000 0.882 126 K CB 1.116 33.614 32.500 -0.003 0.000 1.080 126 K HN 0.206 nan 8.250 nan 0.000 0.441 127 K N 1.167 121.546 120.400 -0.034 0.000 2.543 127 K HA -0.068 4.252 4.320 -0.000 0.000 0.279 127 K C 0.079 176.635 176.600 -0.073 0.000 1.001 127 K CA 1.122 57.376 56.287 -0.056 0.000 1.088 127 K CB 0.311 32.775 32.500 -0.061 0.000 0.863 127 K HN 0.618 nan 8.250 nan 0.000 0.488 128 T N 1.165 115.654 114.554 -0.109 0.000 2.731 128 T HA 0.582 4.932 4.350 -0.000 0.000 0.300 128 T C -0.450 174.065 174.700 -0.309 0.000 1.283 128 T CA -0.232 61.770 62.100 -0.164 0.000 1.005 128 T CB 1.368 70.183 68.868 -0.089 0.000 1.420 128 T HN 0.651 nan 8.240 nan 0.000 0.503 129 G N 0.693 109.091 108.800 -0.669 0.000 2.795 129 G HA2 0.703 4.663 3.960 -0.000 0.000 0.267 129 G HA3 0.703 4.663 3.960 -0.000 0.000 0.267 129 G C -2.729 171.895 174.900 -0.460 0.000 1.362 129 G CA -1.435 43.152 45.100 -0.855 0.000 1.048 129 G HN 0.609 nan 8.290 nan 0.000 0.547 130 P HA 0.090 nan 4.420 nan 0.000 0.265 130 P C -0.309 177.087 177.300 0.161 0.000 1.187 130 P CA 0.079 63.213 63.100 0.056 0.000 0.766 130 P CB 0.549 32.310 31.700 0.102 0.000 0.820 131 Q N 1.944 121.795 119.800 0.085 0.000 2.237 131 Q HA 0.069 4.409 4.340 -0.000 0.000 0.219 131 Q C 1.166 177.199 176.000 0.056 0.000 0.999 131 Q CA -0.218 55.634 55.803 0.081 0.000 0.959 131 Q CB 0.190 28.953 28.738 0.043 0.000 1.173 131 Q HN 0.494 nan 8.270 nan 0.000 0.527 132 D N -0.653 119.764 120.400 0.029 0.000 2.221 132 D HA -0.129 4.511 4.640 -0.000 0.000 0.204 132 D C 1.265 177.547 176.300 -0.030 0.000 0.982 132 D CA 1.528 55.516 54.000 -0.019 0.000 0.857 132 D CB -0.396 40.389 40.800 -0.027 0.000 0.934 132 D HN 0.667 nan 8.370 nan 0.000 0.475 133 G N -0.404 108.393 108.800 -0.005 0.000 2.939 133 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.210 133 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.210 133 G C 0.498 175.403 174.900 0.009 0.000 1.160 133 G CA -0.434 44.663 45.100 -0.004 0.000 0.770 133 G HN 0.280 nan 8.290 nan 0.000 0.543 134 E N 0.725 120.938 120.200 0.022 0.000 2.232 134 E HA 0.169 4.519 4.350 -0.000 0.000 0.296 134 E C 0.945 177.581 176.600 0.060 0.000 1.372 134 E CA -0.689 55.732 56.400 0.035 0.000 1.527 134 E CB 0.004 29.725 29.700 0.036 0.000 1.424 134 E HN 0.247 nan 8.360 nan 0.000 0.485 135 C N 0.297 119.635 119.300 0.063 0.000 2.376 135 C HA -0.215 4.245 4.460 -0.000 0.000 0.275 135 C C 2.525 177.621 174.990 0.177 0.000 1.200 135 C CA 0.973 60.066 59.018 0.125 0.000 1.756 135 C CB -0.717 27.057 27.740 0.057 0.000 2.050 135 C HN 0.663 nan 8.230 nan 0.000 0.460 136 R N 0.906 121.469 120.500 0.104 0.000 2.189 136 R HA -0.082 4.258 4.340 -0.000 0.000 0.218 136 R C 2.065 178.415 176.300 0.084 0.000 1.074 136 R CA 1.343 57.503 56.100 0.101 0.000 0.991 136 R CB -0.197 30.137 30.300 0.057 0.000 0.883 136 R HN 0.469 nan 8.270 nan 0.000 0.457 137 S N -0.454 115.286 115.700 0.067 0.000 2.399 137 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 137 S C 1.779 176.404 174.600 0.041 0.000 1.022 137 S CA 1.161 59.389 58.200 0.045 0.000 0.983 137 S CB -0.057 63.165 63.200 0.037 0.000 0.803 137 S HN 0.497 nan 8.310 nan 0.000 0.480 138 C N -0.045 119.280 119.300 0.041 0.000 2.541 138 C HA 0.141 4.601 4.460 -0.000 0.000 0.284 138 C C 1.226 176.149 174.990 -0.111 0.000 1.341 138 C CA -0.284 58.708 59.018 -0.043 0.000 1.732 138 C CB -0.858 26.817 27.740 -0.109 0.000 2.126 138 C HN 0.553 nan 8.230 nan 0.000 0.505 139 H N 2.129 121.217 119.070 0.029 0.000 2.970 139 H HA 0.135 4.691 4.556 -0.000 0.000 0.226 139 H C -0.200 175.136 175.328 0.012 0.000 1.909 139 H CA 0.239 56.297 56.048 0.016 0.000 1.388 139 H CB -0.667 29.108 29.762 0.023 0.000 1.773 139 H HN 0.386 nan 8.280 nan 0.000 0.559 140 N N 3.275 122.017 118.700 0.070 0.000 2.414 140 N HA 0.061 4.801 4.740 -0.000 0.000 0.256 140 N C -1.436 174.098 175.510 0.040 0.000 1.029 140 N CA -2.058 51.021 53.050 0.049 0.000 0.948 140 N CB 1.501 40.004 38.487 0.027 0.000 1.102 140 N HN 0.176 nan 8.380 nan 0.000 0.496 141 P HA -0.060 nan 4.420 nan 0.000 0.226 141 P C -0.473 176.838 177.300 0.019 0.000 1.153 141 P CA 1.039 64.156 63.100 0.028 0.000 0.777 141 P CB 0.478 32.193 31.700 0.025 0.000 0.794 142 K N 1.357 121.768 120.400 0.017 0.000 2.138 142 K HA 0.369 4.689 4.320 -0.000 0.000 0.263 142 K C -2.295 174.312 176.600 0.011 0.000 0.965 142 K CA -2.426 53.868 56.287 0.013 0.000 0.868 142 K CB 0.643 33.149 32.500 0.011 0.000 1.083 142 K HN -0.012 nan 8.250 nan 0.000 0.443 143 P HA -0.092 nan 4.420 nan 0.000 0.265 143 P C 0.413 177.718 177.300 0.009 0.000 1.187 143 P CA 0.279 63.384 63.100 0.008 0.000 0.766 143 P CB 1.137 32.841 31.700 0.008 0.000 0.820 144 S N 1.955 117.660 115.700 0.009 0.000 2.335 144 S HA 0.132 4.602 4.470 -0.000 0.000 0.217 144 S C 0.769 175.374 174.600 0.008 0.000 1.032 144 S CA 1.187 59.392 58.200 0.008 0.000 0.985 144 S CB -0.337 62.870 63.200 0.011 0.000 0.896 144 S HN 0.789 nan 8.310 nan 0.000 0.445 145 A N -0.315 122.514 122.820 0.013 0.000 2.567 145 A HA 0.842 5.162 4.320 -0.000 0.000 0.289 145 A C -0.584 177.014 177.584 0.023 0.000 1.177 145 A CA -0.297 51.750 52.037 0.017 0.000 0.694 145 A CB 0.616 19.628 19.000 0.019 0.000 1.292 145 A HN 0.799 nan 8.150 nan 0.000 0.425 146 A N -0.129 122.707 122.820 0.027 0.000 2.287 146 A HA 0.673 4.993 4.320 -0.000 0.000 0.273 146 A C 0.400 178.015 177.584 0.050 0.000 1.091 146 A CA 0.331 52.388 52.037 0.034 0.000 0.817 146 A CB 0.406 19.425 19.000 0.032 0.000 1.069 146 A HN 1.732 nan 8.150 nan 0.000 0.492 147 S N -0.295 115.442 115.700 0.062 0.000 2.433 147 S HA 0.400 4.870 4.470 -0.000 0.000 0.310 147 S C 0.797 175.472 174.600 0.125 0.000 1.097 147 S CA -0.021 58.239 58.200 0.100 0.000 1.103 147 S CB 0.596 63.852 63.200 0.094 0.000 0.992 147 S HN 1.208 nan 8.310 nan 0.000 0.469 148 S N 3.886 119.671 115.700 0.141 0.000 2.577 148 S HA 0.109 4.579 4.470 -0.000 0.000 0.219 148 S C 0.223 174.927 174.600 0.174 0.000 0.962 148 S CA -0.710 57.565 58.200 0.124 0.000 0.921 148 S CB -0.436 62.812 63.200 0.080 0.000 0.789 148 S HN 0.807 nan 8.310 nan 0.000 0.497 149 W N 3.287 124.607 121.300 0.033 0.000 2.385 149 W HA 0.236 4.896 4.660 -0.000 0.000 0.336 149 W C 0.153 176.701 176.519 0.048 0.000 1.351 149 W CA 0.358 57.724 57.345 0.035 0.000 1.295 149 W CB 0.304 29.747 29.460 -0.029 0.000 1.239 149 W HN 0.050 nan 8.180 nan 0.000 0.565 150 K N 5.588 125.651 120.400 -0.562 0.000 2.378 150 K HA 0.156 4.476 4.320 -0.000 0.000 0.252 150 K C -0.584 175.378 176.600 -1.063 0.000 0.931 150 K CA -0.783 55.158 56.287 -0.577 0.000 0.794 150 K CB 1.546 33.912 32.500 -0.222 0.000 1.181 150 K HN 0.624 nan 8.250 nan 0.000 0.425 151 E N 2.984 122.673 120.200 -0.851 0.000 2.436 151 E HA 0.038 4.388 4.350 -0.000 0.000 0.262 151 E C -0.828 175.681 176.600 -0.151 0.000 1.063 151 E CA 0.037 56.182 56.400 -0.424 0.000 0.944 151 E CB 0.641 30.325 29.700 -0.028 0.000 0.950 151 E HN 0.480 nan 8.360 nan 0.000 0.444 152 I N 1.989 122.547 120.570 -0.020 0.000 2.689 152 I HA 0.689 4.859 4.170 -0.000 0.000 0.299 152 I C -0.500 175.667 176.117 0.084 0.000 1.059 152 I CA -0.393 60.928 61.300 0.035 0.000 1.055 152 I CB 1.796 39.804 38.000 0.013 0.000 1.243 152 I HN 0.604 nan 8.210 nan 0.000 0.425 153 G N 4.922 113.814 108.800 0.154 0.000 2.695 153 G HA2 0.519 4.479 3.960 -0.000 0.000 0.290 153 G HA3 0.519 4.479 3.960 -0.000 0.000 0.290 153 G C -1.809 173.325 174.900 0.391 0.000 1.410 153 G CA -0.465 44.748 45.100 0.188 0.000 0.844 153 G HN 0.283 nan 8.290 nan 0.000 0.478 154 F N 2.426 122.409 119.950 0.055 0.000 2.390 154 F HA 0.282 4.809 4.527 -0.000 0.000 0.361 154 F C 0.837 176.699 175.800 0.105 0.000 1.124 154 F CA -1.788 56.262 58.000 0.083 0.000 1.149 154 F CB 0.933 39.995 39.000 0.104 0.000 1.160 154 F HN 0.501 nan 8.300 nan 0.000 0.501 155 D N 2.700 123.239 120.400 0.231 0.000 2.414 155 D HA 0.078 4.718 4.640 -0.000 0.000 0.259 155 D C 1.000 177.398 176.300 0.162 0.000 1.269 155 D CA -0.471 53.627 54.000 0.164 0.000 1.028 155 D CB 0.602 41.473 40.800 0.118 0.000 1.093 155 D HN 0.539 nan 8.370 nan 0.000 0.545 156 K N -0.848 119.626 120.400 0.125 0.000 2.211 156 K HA -0.127 4.193 4.320 -0.000 0.000 0.203 156 K C 1.898 178.593 176.600 0.158 0.000 1.050 156 K CA 1.072 57.437 56.287 0.130 0.000 0.945 156 K CB -0.245 32.298 32.500 0.073 0.000 0.732 156 K HN 0.224 nan 8.250 nan 0.000 0.451 157 S N 1.039 116.809 115.700 0.116 0.000 2.348 157 S HA -0.127 4.343 4.470 -0.000 0.000 0.221 157 S C 1.920 176.569 174.600 0.082 0.000 1.033 157 S CA 0.951 59.223 58.200 0.120 0.000 1.010 157 S CB -0.308 62.941 63.200 0.081 0.000 0.891 157 S HN 0.387 nan 8.310 nan 0.000 0.442 158 L N 1.893 123.106 121.223 -0.018 0.000 2.083 158 L HA -0.038 4.301 4.340 -0.000 0.000 0.209 158 L C 2.379 179.037 176.870 -0.354 0.000 1.083 158 L CA 2.181 56.882 54.840 -0.231 0.000 0.752 158 L CB -1.069 40.768 42.059 -0.369 0.000 0.899 158 L HN 0.534 nan 8.230 nan 0.000 0.433 159 H N -1.834 117.071 119.070 -0.275 0.000 2.353 159 H HA -0.247 4.309 4.556 -0.000 0.000 0.300 159 H C 2.049 177.419 175.328 0.071 0.000 1.090 159 H CA 2.207 58.210 56.048 -0.074 0.000 1.327 159 H CB -0.140 29.749 29.762 0.212 0.000 1.383 159 H HN 0.508 nan 8.280 nan 0.000 0.508 160 Y N 1.827 122.217 120.300 0.150 0.000 2.242 160 Y HA -0.090 4.460 4.550 -0.000 0.000 0.291 160 Y C 2.647 178.550 175.900 0.006 0.000 1.137 160 Y CA 1.210 59.373 58.100 0.104 0.000 1.181 160 Y CB -0.246 38.260 38.460 0.077 0.000 0.989 160 Y HN 0.033 nan 8.280 nan 0.000 0.527 161 R N -1.097 119.292 120.500 -0.186 0.000 2.159 161 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 161 R C 1.755 177.827 176.300 -0.380 0.000 1.131 161 R CA 1.710 57.611 56.100 -0.331 0.000 0.982 161 R CB -0.411 29.735 30.300 -0.257 0.000 0.868 161 R HN 0.501 nan 8.270 nan 0.000 0.453 162 H N -0.757 118.110 119.070 -0.337 0.000 2.343 162 H HA -0.011 4.545 4.556 -0.000 0.000 0.303 162 H C 2.098 177.280 175.328 -0.243 0.000 1.068 162 H CA 1.212 57.099 56.048 -0.268 0.000 1.359 162 H CB -0.105 29.510 29.762 -0.245 0.000 1.402 162 H HN -0.122 nan 8.280 nan 0.000 0.515 163 V N 0.737 120.583 119.914 -0.115 0.000 2.324 163 V HA -0.285 3.835 4.120 -0.000 0.000 0.250 163 V C 2.352 178.337 176.094 -0.181 0.000 1.060 163 V CA 1.886 64.132 62.300 -0.089 0.000 1.042 163 V CB -0.876 30.986 31.823 0.065 0.000 0.650 163 V HN 0.577 nan 8.190 nan 0.000 0.450 164 A N -0.944 121.639 122.820 -0.395 0.000 2.208 164 A HA 0.059 4.379 4.320 -0.000 0.000 0.209 164 A C 1.514 178.946 177.584 -0.254 0.000 1.161 164 A CA 0.769 52.563 52.037 -0.405 0.000 0.782 164 A CB -0.220 18.314 19.000 -0.776 0.000 0.816 164 A HN 0.431 nan 8.150 nan 0.000 0.477 165 S N -0.066 115.497 115.700 -0.227 0.000 2.505 165 S HA 0.187 4.657 4.470 -0.000 0.000 0.276 165 S C 1.003 175.529 174.600 -0.122 0.000 1.274 165 S CA -0.393 57.698 58.200 -0.182 0.000 1.053 165 S CB 0.474 63.553 63.200 -0.201 0.000 0.919 165 S HN 0.467 nan 8.310 nan 0.000 0.490 166 K N 3.722 124.061 120.400 -0.102 0.000 2.209 166 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 166 K C 2.028 178.589 176.600 -0.065 0.000 1.048 166 K CA 1.259 57.503 56.287 -0.072 0.000 0.940 166 K CB -0.213 32.251 32.500 -0.059 0.000 0.729 166 K HN 0.727 nan 8.250 nan 0.000 0.451 167 A N 1.075 123.851 122.820 -0.074 0.000 2.168 167 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 167 A C 0.974 178.527 177.584 -0.051 0.000 1.152 167 A CA 0.550 52.551 52.037 -0.059 0.000 0.716 167 A CB -0.210 18.750 19.000 -0.066 0.000 0.794 167 A HN 0.142 nan 8.150 nan 0.000 0.465 168 I N 1.704 122.237 120.570 -0.062 0.000 2.337 168 I HA 0.175 4.345 4.170 -0.000 0.000 0.285 168 I C -0.519 175.561 176.117 -0.062 0.000 1.041 168 I CA -0.718 60.549 61.300 -0.055 0.000 1.199 168 I CB 1.039 39.007 38.000 -0.054 0.000 1.370 168 I HN 0.005 nan 8.210 nan 0.000 0.470 169 K N 7.263 127.630 120.400 -0.055 0.000 2.154 169 K HA 0.410 4.730 4.320 -0.000 0.000 0.264 169 K C -2.313 174.246 176.600 -0.069 0.000 1.008 169 K CA -1.871 54.385 56.287 -0.052 0.000 0.937 169 K CB 0.385 32.862 32.500 -0.038 0.000 1.002 169 K HN 0.239 nan 8.250 nan 0.000 0.469 170 P HA 0.037 nan 4.420 nan 0.000 0.267 170 P C -0.532 176.717 177.300 -0.085 0.000 1.200 170 P CA -0.170 62.883 63.100 -0.079 0.000 0.772 170 P CB 0.507 32.183 31.700 -0.039 0.000 0.855 171 V N 1.825 121.651 119.914 -0.147 0.000 2.531 171 V HA 0.521 4.641 4.120 -0.000 0.000 0.301 171 V C 1.091 177.161 176.094 -0.039 0.000 1.034 171 V CA 0.132 62.362 62.300 -0.117 0.000 0.865 171 V CB 0.957 32.661 31.823 -0.199 0.000 0.995 171 V HN 0.919 nan 8.190 nan 0.000 0.424 172 G N 2.807 111.665 108.800 0.096 0.000 2.258 172 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.274 172 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.274 172 G C -0.144 174.923 174.900 0.278 0.000 1.021 172 G CA 0.896 46.137 45.100 0.235 0.000 0.798 172 G HN 0.894 nan 8.290 nan 0.000 0.507 173 D N -1.725 118.770 120.400 0.157 0.000 2.738 173 D HA 0.173 4.813 4.640 -0.000 0.000 0.229 173 D C -1.914 174.431 176.300 0.076 0.000 1.200 173 D CA -0.401 53.691 54.000 0.153 0.000 0.746 173 D CB 1.113 42.050 40.800 0.228 0.000 1.597 173 D HN -0.087 nan 8.370 nan 0.000 0.471 174 P HA -0.090 nan 4.420 nan 0.000 0.222 174 P C 0.806 178.124 177.300 0.031 0.000 1.147 174 P CA 1.232 64.357 63.100 0.042 0.000 0.790 174 P CB 0.725 32.450 31.700 0.041 0.000 0.780 175 Q N -1.264 118.560 119.800 0.039 0.000 2.360 175 Q HA 0.129 4.469 4.340 -0.000 0.000 0.261 175 Q C 0.390 176.398 176.000 0.014 0.000 0.802 175 Q CA -0.130 55.690 55.803 0.028 0.000 0.983 175 Q CB 0.654 29.417 28.738 0.042 0.000 1.211 175 Q HN 0.039 nan 8.270 nan 0.000 0.523 176 K N 1.384 121.799 120.400 0.024 0.000 2.350 176 K HA 0.097 4.417 4.320 -0.000 0.000 0.279 176 K C 0.131 176.635 176.600 -0.160 0.000 1.027 176 K CA -0.112 56.163 56.287 -0.020 0.000 0.969 176 K CB 0.645 33.187 32.500 0.071 0.000 0.954 176 K HN 0.068 nan 8.250 nan 0.000 0.474 177 N N 1.211 119.817 118.700 -0.156 0.000 2.325 177 N HA -0.012 4.728 4.740 -0.000 0.000 0.182 177 N C 0.910 176.244 175.510 -0.293 0.000 1.088 177 N CA 0.166 53.107 53.050 -0.182 0.000 0.879 177 N CB 0.029 38.461 38.487 -0.093 0.000 0.983 177 N HN 0.536 nan 8.380 nan 0.000 0.471 178 C N -0.643 118.421 119.300 -0.393 0.000 2.413 178 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 178 C C 2.487 177.096 174.990 -0.635 0.000 1.265 178 C CA 0.930 59.742 59.018 -0.343 0.000 1.752 178 C CB -1.429 26.213 27.740 -0.163 0.000 1.998 178 C HN 0.477 nan 8.230 nan 0.000 0.489 179 G N 0.095 108.153 108.800 -1.235 0.000 2.598 179 G HA2 0.149 4.109 3.960 -0.000 0.000 0.215 179 G HA3 0.149 4.109 3.960 -0.000 0.000 0.215 179 G C 1.671 176.382 174.900 -0.315 0.000 1.131 179 G CA 0.747 45.310 45.100 -0.894 0.000 0.785 179 G HN 0.643 nan 8.290 nan 0.000 0.539 180 A N -0.952 121.698 122.820 -0.284 0.000 2.119 180 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 180 A C 2.006 179.503 177.584 -0.144 0.000 1.153 180 A CA 1.572 53.514 52.037 -0.159 0.000 0.692 180 A CB -0.282 18.635 19.000 -0.138 0.000 0.799 180 A HN 0.417 nan 8.150 nan 0.000 0.458 181 C N -2.836 116.343 119.300 -0.202 0.000 3.721 181 C HA 0.307 4.767 4.460 -0.000 0.000 0.562 181 C C 0.440 175.186 174.990 -0.407 0.000 1.399 181 C CA -0.650 58.184 59.018 -0.307 0.000 2.478 181 C CB -0.408 27.076 27.740 -0.427 0.000 3.668 181 C HN 0.549 nan 8.230 nan 0.000 0.565 182 H N 2.169 121.170 119.070 -0.116 0.000 2.458 182 H HA 0.490 5.046 4.556 -0.000 0.000 0.330 182 H C -0.437 174.944 175.328 0.089 0.000 1.111 182 H CA 0.529 56.531 56.048 -0.077 0.000 1.245 182 H CB 0.806 30.619 29.762 0.085 0.000 1.456 182 H HN 0.629 nan 8.280 nan 0.000 0.488 183 H N -0.402 118.853 119.070 0.308 0.000 2.985 183 H HA 0.598 5.154 4.556 -0.000 0.000 0.360 183 H C -0.928 174.520 175.328 0.199 0.000 1.221 183 H CA -1.172 55.029 56.048 0.256 0.000 1.121 183 H CB 1.724 31.600 29.762 0.189 0.000 1.854 183 H HN 0.381 nan 8.280 nan 0.000 0.551 184 V N -1.204 118.923 119.914 0.354 0.000 3.040 184 V HA 0.386 4.506 4.120 -0.000 0.000 0.312 184 V C -1.102 175.117 176.094 0.209 0.000 1.115 184 V CA -1.133 61.313 62.300 0.244 0.000 0.998 184 V CB 1.952 33.849 31.823 0.123 0.000 1.042 184 V HN 0.767 nan 8.190 nan 0.000 0.433 185 Y N 1.996 122.318 120.300 0.037 0.000 2.359 185 Y HA 0.544 5.094 4.550 -0.000 0.000 0.334 185 Y C -0.001 175.899 175.900 -0.000 0.000 1.058 185 Y CA -0.473 57.625 58.100 -0.004 0.000 1.244 185 Y CB 0.940 39.388 38.460 -0.021 0.000 1.187 185 Y HN 0.987 nan 8.280 nan 0.000 0.510 186 D N 4.442 124.557 120.400 -0.475 0.000 2.396 186 D HA 0.147 4.787 4.640 -0.000 0.000 0.225 186 D C 0.421 176.335 176.300 -0.643 0.000 1.121 186 D CA -0.160 53.594 54.000 -0.409 0.000 0.853 186 D CB 1.025 41.688 40.800 -0.228 0.000 1.043 186 D HN 0.629 nan 8.370 nan 0.000 0.500 187 E N 2.262 122.194 120.200 -0.447 0.000 2.265 187 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 187 E C 1.734 178.206 176.600 -0.214 0.000 0.996 187 E CA 1.118 57.321 56.400 -0.329 0.000 0.832 187 E CB 0.009 29.639 29.700 -0.116 0.000 0.756 187 E HN 0.562 nan 8.360 nan 0.000 0.491 188 A N 0.542 123.254 122.820 -0.180 0.000 1.874 188 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 188 A C 2.215 179.735 177.584 -0.106 0.000 1.189 188 A CA 1.569 53.539 52.037 -0.112 0.000 0.615 188 A CB -0.437 18.510 19.000 -0.088 0.000 0.830 188 A HN 0.317 nan 8.150 nan 0.000 0.443 189 S N -1.585 114.033 115.700 -0.137 0.000 2.558 189 S HA 0.137 4.607 4.470 -0.000 0.000 0.217 189 S C 0.659 175.195 174.600 -0.106 0.000 0.975 189 S CA 0.626 58.767 58.200 -0.099 0.000 0.912 189 S CB -0.245 62.906 63.200 -0.083 0.000 0.776 189 S HN 0.470 nan 8.310 nan 0.000 0.526 190 K N 1.080 121.357 120.400 -0.205 0.000 3.117 190 K HA -0.186 4.134 4.320 -0.000 0.000 0.269 190 K C -0.446 176.155 176.600 0.002 0.000 1.098 190 K CA 1.157 57.361 56.287 -0.139 0.000 0.785 190 K CB -1.687 30.836 32.500 0.038 0.000 1.242 190 K HN 0.856 nan 8.250 nan 0.000 0.491 191 K N -1.033 119.266 120.400 -0.168 0.000 2.533 191 K HA 0.484 4.804 4.320 -0.000 0.000 0.284 191 K C -0.600 176.026 176.600 0.043 0.000 1.025 191 K CA -1.201 55.135 56.287 0.083 0.000 0.900 191 K CB 1.158 33.686 32.500 0.047 0.000 1.519 191 K HN -0.041 nan 8.250 nan 0.000 0.432 192 L N 1.867 123.168 121.223 0.130 0.000 2.380 192 L HA 0.390 4.730 4.340 -0.000 0.000 0.273 192 L C 0.070 176.993 176.870 0.087 0.000 1.138 192 L CA -0.655 54.237 54.840 0.086 0.000 0.832 192 L CB 1.113 43.130 42.059 -0.071 0.000 1.124 192 L HN 0.558 nan 8.230 nan 0.000 0.454 193 V N -0.567 119.424 119.914 0.128 0.000 3.130 193 V HA 0.484 4.604 4.120 -0.000 0.000 0.310 193 V C -1.108 175.150 176.094 0.274 0.000 1.158 193 V CA -1.058 61.337 62.300 0.158 0.000 1.029 193 V CB 1.807 33.675 31.823 0.074 0.000 1.057 193 V HN 0.766 nan 8.190 nan 0.000 0.436 194 W N 2.587 123.943 121.300 0.094 0.000 2.303 194 W HA 0.673 5.333 4.660 -0.000 0.000 0.318 194 W C 0.593 177.154 176.519 0.070 0.000 1.362 194 W CA -0.095 57.311 57.345 0.101 0.000 1.234 194 W CB 0.554 30.063 29.460 0.082 0.000 1.248 194 W HN 1.041 nan 8.180 nan 0.000 0.546 195 G N 6.558 115.324 108.800 -0.056 0.000 2.475 195 G HA2 0.164 4.124 3.960 -0.000 0.000 0.322 195 G HA3 0.164 4.124 3.960 -0.000 0.000 0.322 195 G C -0.526 174.031 174.900 -0.572 0.000 1.044 195 G CA -0.873 44.061 45.100 -0.277 0.000 1.047 195 G HN 0.556 nan 8.290 nan 0.000 0.436 196 K N 2.607 122.430 120.400 -0.962 0.000 2.484 196 K HA -0.042 4.278 4.320 -0.000 0.000 0.280 196 K C 0.461 176.858 176.600 -0.340 0.000 1.013 196 K CA -0.077 55.653 56.287 -0.928 0.000 1.029 196 K CB 0.190 32.157 32.500 -0.887 0.000 0.902 196 K HN 0.474 nan 8.250 nan 0.000 0.481 197 N N 2.579 121.202 118.700 -0.128 0.000 2.693 197 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 197 N C -0.798 174.662 175.510 -0.084 0.000 1.119 197 N CA 0.990 54.000 53.050 -0.067 0.000 0.717 197 N CB -0.435 38.006 38.487 -0.077 0.000 1.071 197 N HN 0.576 nan 8.380 nan 0.000 0.555 198 K N 0.109 120.460 120.400 -0.081 0.000 2.564 198 K HA 0.154 4.474 4.320 -0.000 0.000 0.205 198 K C -0.223 176.351 176.600 -0.043 0.000 1.053 198 K CA -0.070 56.179 56.287 -0.064 0.000 1.072 198 K CB 0.583 33.046 32.500 -0.061 0.000 0.822 198 K HN 0.325 nan 8.250 nan 0.000 0.497 199 E N 1.288 121.442 120.200 -0.076 0.000 2.392 199 E HA 0.110 4.460 4.350 -0.000 0.000 0.264 199 E C -0.348 176.109 176.600 -0.237 0.000 1.024 199 E CA 0.414 56.656 56.400 -0.263 0.000 0.903 199 E CB 0.613 29.974 29.700 -0.566 0.000 0.963 199 E HN -0.034 nan 8.360 nan 0.000 0.432 200 D N 0.083 120.390 120.400 -0.154 0.000 2.596 200 D HA 0.184 4.824 4.640 -0.000 0.000 0.262 200 D C -0.927 175.430 176.300 0.094 0.000 1.210 200 D CA -0.622 53.354 54.000 -0.040 0.000 0.873 200 D CB 1.707 42.495 40.800 -0.019 0.000 1.408 200 D HN 0.280 nan 8.370 nan 0.000 0.441 201 S N -0.061 115.685 115.700 0.076 0.000 2.563 201 S HA -0.001 4.469 4.470 -0.000 0.000 0.284 201 S C 1.688 176.333 174.600 0.075 0.000 1.331 201 S CA -0.125 58.127 58.200 0.086 0.000 1.047 201 S CB 0.145 63.379 63.200 0.056 0.000 0.859 201 S HN 0.537 nan 8.310 nan 0.000 0.514 202 C N 4.484 123.809 119.300 0.042 0.000 2.422 202 C HA -0.040 4.420 4.460 -0.000 0.000 0.279 202 C C 2.528 177.589 174.990 0.119 0.000 1.305 202 C CA 0.542 59.612 59.018 0.086 0.000 1.757 202 C CB -1.604 26.129 27.740 -0.012 0.000 1.962 202 C HN 0.921 nan 8.230 nan 0.000 0.499 203 R N 1.636 122.173 120.500 0.061 0.000 2.193 203 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 203 R C 2.277 178.599 176.300 0.036 0.000 1.110 203 R CA 1.298 57.432 56.100 0.057 0.000 0.988 203 R CB -0.399 29.927 30.300 0.045 0.000 0.871 203 R HN 0.577 nan 8.270 nan 0.000 0.458 204 A N -0.042 122.793 122.820 0.025 0.000 2.015 204 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 204 A C 1.740 179.300 177.584 -0.039 0.000 1.163 204 A CA 1.217 53.250 52.037 -0.007 0.000 0.646 204 A CB -0.088 18.909 19.000 -0.006 0.000 0.806 204 A HN 0.467 nan 8.150 nan 0.000 0.448 205 C N -2.014 117.244 119.300 -0.069 0.000 3.757 205 C HA 0.325 4.785 4.460 -0.000 0.000 0.358 205 C C 0.179 174.967 174.990 -0.338 0.000 1.484 205 C CA -0.710 58.189 59.018 -0.199 0.000 1.862 205 C CB -0.634 26.954 27.740 -0.252 0.000 2.654 205 C HN 0.531 nan 8.230 nan 0.000 0.699 206 H N 0.757 119.833 119.070 0.009 0.000 2.587 206 H HA 0.519 5.075 4.556 -0.000 0.000 0.325 206 H C 0.286 175.611 175.328 -0.006 0.000 1.012 206 H CA 0.384 56.432 56.048 0.000 0.000 1.213 206 H CB 1.534 31.295 29.762 -0.002 0.000 1.431 206 H HN 0.387 nan 8.280 nan 0.000 0.492 207 G N 1.051 109.904 108.800 0.087 0.000 2.795 207 G HA2 0.078 4.038 3.960 -0.000 0.000 0.267 207 G HA3 0.078 4.038 3.960 -0.000 0.000 0.267 207 G C 0.813 175.739 174.900 0.043 0.000 1.362 207 G CA -0.429 44.700 45.100 0.048 0.000 1.048 207 G HN 0.596 nan 8.290 nan 0.000 0.547 208 E N -0.856 119.360 120.200 0.027 0.000 2.204 208 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 208 E C 0.256 176.863 176.600 0.012 0.000 0.989 208 E CA 0.874 57.285 56.400 0.018 0.000 0.824 208 E CB 0.014 29.721 29.700 0.013 0.000 0.756 208 E HN 0.291 nan 8.360 nan 0.000 0.477 209 K N 0.700 121.108 120.400 0.013 0.000 2.435 209 K HA 0.333 4.653 4.320 -0.000 0.000 0.251 209 K C -2.688 173.921 176.600 0.014 0.000 0.954 209 K CA -2.236 54.056 56.287 0.007 0.000 0.820 209 K CB 1.878 34.376 32.500 -0.003 0.000 1.292 209 K HN -0.140 nan 8.250 nan 0.000 0.436 210 P HA 0.066 nan 4.420 nan 0.000 0.274 210 P C -0.423 176.876 177.300 -0.001 0.000 1.291 210 P CA -0.254 62.856 63.100 0.017 0.000 0.815 210 P CB 0.372 32.080 31.700 0.012 0.000 0.897 211 V N 4.651 124.562 119.914 -0.006 0.000 2.432 211 V HA 0.127 4.247 4.120 -0.000 0.000 0.275 211 V C 0.746 176.817 176.094 -0.038 0.000 1.043 211 V CA 0.210 62.495 62.300 -0.024 0.000 0.925 211 V CB 0.341 32.145 31.823 -0.031 0.000 0.985 211 V HN 0.646 nan 8.190 nan 0.000 0.466 212 D N 3.222 123.597 120.400 -0.041 0.000 3.845 212 D HA -0.257 4.383 4.640 -0.000 0.000 0.144 212 D C 1.018 177.283 176.300 -0.059 0.000 0.889 212 D CA 1.507 55.474 54.000 -0.056 0.000 1.096 212 D CB -0.353 40.402 40.800 -0.076 0.000 0.515 212 D HN 0.634 nan 8.370 nan 0.000 0.525 213 K N 0.834 121.180 120.400 -0.090 0.000 2.399 213 K HA 0.179 4.499 4.320 -0.000 0.000 0.204 213 K C -0.006 176.555 176.600 -0.066 0.000 1.023 213 K CA -0.075 56.160 56.287 -0.088 0.000 1.127 213 K CB 0.477 32.896 32.500 -0.135 0.000 0.856 213 K HN 0.140 nan 8.250 nan 0.000 0.514 214 R N 2.576 123.047 120.500 -0.049 0.000 2.248 214 R HA 0.130 4.470 4.340 -0.000 0.000 0.328 214 R C -2.366 174.011 176.300 0.129 0.000 1.067 214 R CA -1.576 54.545 56.100 0.036 0.000 0.924 214 R CB 0.369 30.620 30.300 -0.081 0.000 1.013 214 R HN 0.039 nan 8.270 nan 0.000 0.454 215 P HA 0.017 nan 4.420 nan 0.000 0.273 215 P C -0.424 176.968 177.300 0.153 0.000 1.250 215 P CA -0.276 62.885 63.100 0.101 0.000 0.793 215 P CB 0.586 32.293 31.700 0.011 0.000 1.011 216 A N 0.845 123.702 122.820 0.062 0.000 2.429 216 A HA 0.037 4.357 4.320 -0.000 0.000 0.242 216 A C 1.455 179.047 177.584 0.013 0.000 1.088 216 A CA -0.250 51.818 52.037 0.052 0.000 0.784 216 A CB -0.713 18.299 19.000 0.021 0.000 1.038 216 A HN 0.626 nan 8.150 nan 0.000 0.501 217 L N 0.484 121.723 121.223 0.026 0.000 2.012 217 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 217 L C 2.082 178.877 176.870 -0.125 0.000 1.073 217 L CA 3.046 57.870 54.840 -0.027 0.000 0.748 217 L CB -0.820 41.248 42.059 0.014 0.000 0.891 217 L HN 0.895 nan 8.230 nan 0.000 0.431 218 D N -2.440 117.895 120.400 -0.109 0.000 2.144 218 D HA -0.188 4.452 4.640 -0.000 0.000 0.199 218 D C 1.790 177.938 176.300 -0.253 0.000 0.984 218 D CA 1.902 55.757 54.000 -0.242 0.000 0.834 218 D CB -1.063 39.675 40.800 -0.103 0.000 0.955 218 D HN 0.353 nan 8.370 nan 0.000 0.465 219 T N 0.393 114.900 114.554 -0.079 0.000 2.777 219 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 219 T C 2.147 176.790 174.700 -0.095 0.000 1.040 219 T CA 1.845 63.931 62.100 -0.022 0.000 1.141 219 T CB -0.546 68.317 68.868 -0.008 0.000 0.868 219 T HN 0.398 nan 8.240 nan 0.000 0.444 220 A N 1.584 124.285 122.820 -0.198 0.000 1.883 220 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 220 A C 2.641 180.083 177.584 -0.236 0.000 1.186 220 A CA 1.995 53.845 52.037 -0.312 0.000 0.624 220 A CB -1.171 17.426 19.000 -0.671 0.000 0.822 220 A HN 0.515 nan 8.150 nan 0.000 0.444 221 A N -1.130 121.543 122.820 -0.245 0.000 1.897 221 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 221 A C 1.927 179.434 177.584 -0.128 0.000 1.181 221 A CA 1.581 53.482 52.037 -0.226 0.000 0.620 221 A CB -0.955 17.893 19.000 -0.254 0.000 0.821 221 A HN 0.744 nan 8.150 nan 0.000 0.443 222 H N -1.026 118.005 119.070 -0.064 0.000 2.387 222 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 222 H C 2.273 177.554 175.328 -0.079 0.000 1.090 222 H CA 1.412 57.432 56.048 -0.048 0.000 1.332 222 H CB 0.112 29.865 29.762 -0.016 0.000 1.386 222 H HN 0.472 nan 8.280 nan 0.000 0.516 223 T N 0.117 114.689 114.554 0.030 0.000 2.668 223 T HA -0.107 4.243 4.350 -0.000 0.000 0.258 223 T C 2.358 177.025 174.700 -0.055 0.000 1.051 223 T CA 1.108 63.195 62.100 -0.021 0.000 1.155 223 T CB -0.420 68.427 68.868 -0.035 0.000 0.864 223 T HN 0.443 nan 8.240 nan 0.000 0.413 224 A N 0.507 123.273 122.820 -0.089 0.000 1.897 224 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 224 A C 2.703 180.190 177.584 -0.163 0.000 1.181 224 A CA 1.427 53.398 52.037 -0.111 0.000 0.620 224 A CB -1.233 17.690 19.000 -0.127 0.000 0.821 224 A HN 0.652 nan 8.150 nan 0.000 0.443 225 C N -0.423 118.753 119.300 -0.206 0.000 2.462 225 C HA -0.018 4.442 4.460 -0.000 0.000 0.278 225 C C 2.542 177.268 174.990 -0.441 0.000 1.253 225 C CA 0.893 59.702 59.018 -0.348 0.000 1.713 225 C CB -1.378 26.186 27.740 -0.293 0.000 2.049 225 C HN 0.605 nan 8.230 nan 0.000 0.477 226 I N 0.996 121.446 120.570 -0.200 0.000 2.353 226 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 226 I C 2.738 178.830 176.117 -0.042 0.000 1.119 226 I CA 1.415 62.664 61.300 -0.085 0.000 1.417 226 I CB -0.625 37.379 38.000 0.007 0.000 1.078 226 I HN 0.339 nan 8.210 nan 0.000 0.421 227 S N 0.237 115.902 115.700 -0.058 0.000 2.359 227 S HA -0.281 4.189 4.470 -0.000 0.000 0.224 227 S C 2.332 176.923 174.600 -0.015 0.000 1.035 227 S CA 1.966 60.149 58.200 -0.028 0.000 1.018 227 S CB -0.541 62.638 63.200 -0.035 0.000 0.876 227 S HN 0.637 nan 8.310 nan 0.000 0.448 228 C N 1.482 120.751 119.300 -0.052 0.000 2.432 228 C HA -0.042 4.418 4.460 -0.000 0.000 0.277 228 C C 2.374 177.416 174.990 0.086 0.000 1.249 228 C CA 1.539 60.551 59.018 -0.009 0.000 1.725 228 C CB -1.911 25.806 27.740 -0.038 0.000 2.028 228 C HN 0.782 nan 8.230 nan 0.000 0.477 229 H N -0.293 118.781 119.070 0.008 0.000 2.353 229 H HA -0.184 4.372 4.556 -0.000 0.000 0.298 229 H C 2.377 177.706 175.328 0.001 0.000 1.103 229 H CA 2.047 58.097 56.048 0.003 0.000 1.293 229 H CB -0.203 29.567 29.762 0.012 0.000 1.372 229 H HN 0.498 nan 8.280 nan 0.000 0.501 230 M N 0.135 119.817 119.600 0.137 0.000 2.254 230 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 230 M C 1.437 177.768 176.300 0.051 0.000 1.066 230 M CA 1.010 56.358 55.300 0.079 0.000 1.123 230 M CB 0.114 32.752 32.600 0.064 0.000 1.388 230 M HN 0.226 nan 8.290 nan 0.000 0.425 231 D N 0.104 120.530 120.400 0.044 0.000 2.097 231 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 231 D C 2.102 178.415 176.300 0.021 0.000 0.984 231 D CA 1.231 55.247 54.000 0.026 0.000 0.826 231 D CB -0.281 40.530 40.800 0.018 0.000 0.973 231 D HN 0.127 nan 8.370 nan 0.000 0.460 232 V N 1.529 121.459 119.914 0.027 0.000 2.490 232 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 232 V C 2.489 178.582 176.094 -0.002 0.000 1.061 232 V CA 1.572 63.876 62.300 0.007 0.000 1.064 232 V CB -0.777 31.049 31.823 0.005 0.000 0.670 232 V HN 0.165 nan 8.190 nan 0.000 0.461 233 A N -0.043 122.782 122.820 0.009 0.000 1.978 233 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 233 A C 2.266 179.852 177.584 0.003 0.000 1.170 233 A CA 1.842 53.880 52.037 0.002 0.000 0.636 233 A CB -0.406 18.603 19.000 0.016 0.000 0.810 233 A HN 0.578 nan 8.150 nan 0.000 0.448 234 K N -0.560 119.845 120.400 0.008 0.000 2.211 234 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 234 K C 1.885 178.485 176.600 0.000 0.000 1.050 234 K CA 1.610 57.901 56.287 0.007 0.000 0.945 234 K CB -0.269 32.237 32.500 0.010 0.000 0.732 234 K HN 0.712 nan 8.250 nan 0.000 0.451 235 T N -2.058 112.493 114.554 -0.005 0.000 3.081 235 T HA 0.117 4.467 4.350 -0.000 0.000 0.250 235 T C 0.693 175.384 174.700 -0.014 0.000 1.100 235 T CA 0.019 62.113 62.100 -0.010 0.000 1.038 235 T CB 0.094 68.954 68.868 -0.013 0.000 0.962 235 T HN -0.050 nan 8.240 nan 0.000 0.516 236 K N 0.127 120.518 120.400 -0.015 0.000 3.349 236 K HA -0.124 4.196 4.320 -0.000 0.000 0.310 236 K C 0.357 176.939 176.600 -0.029 0.000 1.267 236 K CA 0.725 57.000 56.287 -0.020 0.000 0.920 236 K CB -2.227 30.265 32.500 -0.015 0.000 1.240 236 K HN 0.867 nan 8.250 nan 0.000 0.453 237 A N 0.838 123.637 122.820 -0.034 0.000 2.407 237 A HA 0.370 4.690 4.320 -0.000 0.000 0.248 237 A C 0.176 177.723 177.584 -0.063 0.000 1.082 237 A CA -0.138 51.871 52.037 -0.047 0.000 0.785 237 A CB 0.345 19.317 19.000 -0.048 0.000 1.020 237 A HN 0.257 nan 8.150 nan 0.000 0.489 238 E N 0.266 120.419 120.200 -0.078 0.000 2.568 238 E HA 0.262 4.612 4.350 -0.000 0.000 0.262 238 E C 0.357 176.876 176.600 -0.136 0.000 0.961 238 E CA 1.149 57.487 56.400 -0.103 0.000 0.945 238 E CB 0.333 29.963 29.700 -0.115 0.000 0.924 238 E HN 0.717 nan 8.360 nan 0.000 0.467 239 T N 1.462 115.918 114.554 -0.163 0.000 2.696 239 T HA 0.766 5.116 4.350 -0.000 0.000 0.291 239 T C -0.259 174.208 174.700 -0.388 0.000 1.095 239 T CA -0.158 61.810 62.100 -0.220 0.000 1.026 239 T CB 0.908 69.698 68.868 -0.130 0.000 1.390 239 T HN 0.464 nan 8.240 nan 0.000 0.513 240 G N 1.311 109.656 108.800 -0.759 0.000 2.488 240 G HA2 0.682 4.642 3.960 -0.000 0.000 0.318 240 G HA3 0.682 4.642 3.960 -0.000 0.000 0.318 240 G C -2.636 171.863 174.900 -0.668 0.000 1.188 240 G CA -1.417 42.962 45.100 -1.202 0.000 0.944 240 G HN 0.624 nan 8.290 nan 0.000 0.495 241 P HA 0.138 nan 4.420 nan 0.000 0.269 241 P C 0.307 177.699 177.300 0.153 0.000 1.215 241 P CA -0.180 62.922 63.100 0.002 0.000 0.780 241 P CB 1.759 33.505 31.700 0.076 0.000 0.898 242 V N 0.252 120.239 119.914 0.121 0.000 3.484 242 V HA 0.081 4.201 4.120 -0.000 0.000 0.252 242 V C 0.924 177.094 176.094 0.127 0.000 1.282 242 V CA 0.424 62.805 62.300 0.136 0.000 1.104 242 V CB -0.437 31.457 31.823 0.118 0.000 0.868 242 V HN 0.515 nan 8.190 nan 0.000 0.457 243 N N -0.052 118.723 118.700 0.125 0.000 2.525 243 N HA 0.075 4.815 4.740 -0.000 0.000 0.271 243 N C 1.092 176.686 175.510 0.140 0.000 1.194 243 N CA 0.247 53.383 53.050 0.143 0.000 0.964 243 N CB 1.450 40.014 38.487 0.128 0.000 1.126 243 N HN 0.200 nan 8.380 nan 0.000 0.452 244 C N 0.912 120.311 119.300 0.165 0.000 2.413 244 C HA -0.148 4.312 4.460 -0.000 0.000 0.276 244 C C 2.616 177.739 174.990 0.222 0.000 1.236 244 C CA 1.050 60.200 59.018 0.220 0.000 1.735 244 C CB -1.363 26.517 27.740 0.234 0.000 2.031 244 C HN 0.852 nan 8.230 nan 0.000 0.474 245 A N 0.869 123.791 122.820 0.171 0.000 1.969 245 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 245 A C 2.389 180.029 177.584 0.094 0.000 1.169 245 A CA 1.858 53.971 52.037 0.128 0.000 0.635 245 A CB -1.130 17.930 19.000 0.098 0.000 0.810 245 A HN 0.583 nan 8.150 nan 0.000 0.445 246 G N -1.552 107.312 108.800 0.106 0.000 2.470 246 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 246 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 246 G C 1.362 176.368 174.900 0.176 0.000 1.121 246 G CA 1.412 46.587 45.100 0.125 0.000 0.766 246 G HN 0.525 nan 8.290 nan 0.000 0.553 247 C N -1.562 117.783 119.300 0.075 0.000 2.464 247 C HA 0.305 4.765 4.460 -0.000 0.000 0.348 247 C C 1.968 176.861 174.990 -0.162 0.000 1.367 247 C CA 0.063 59.069 59.018 -0.019 0.000 2.012 247 C CB -0.312 27.278 27.740 -0.251 0.000 2.434 247 C HN 0.500 nan 8.230 nan 0.000 0.536 248 H N 0.407 119.455 119.070 -0.036 0.000 2.586 248 H HA 0.372 4.928 4.556 -0.000 0.000 0.273 248 H C 0.844 176.037 175.328 -0.225 0.000 0.997 248 H CA 0.528 56.404 56.048 -0.286 0.000 1.177 248 H CB -0.007 29.476 29.762 -0.466 0.000 1.471 248 H HN 0.369 nan 8.280 nan 0.000 0.538 249 A N 3.112 125.931 122.820 -0.002 0.000 2.320 249 A HA 0.262 4.582 4.320 -0.000 0.000 0.287 249 A C -1.165 176.367 177.584 -0.086 0.000 1.181 249 A CA -1.313 50.712 52.037 -0.019 0.000 0.831 249 A CB 0.870 19.875 19.000 0.008 0.000 1.102 249 A HN -0.012 nan 8.150 nan 0.000 0.513 250 P HA -0.207 nan 4.420 nan 0.000 0.216 250 P C 0.616 177.838 177.300 -0.129 0.000 1.150 250 P CA 1.503 64.544 63.100 -0.099 0.000 0.843 250 P CB 0.306 31.973 31.700 -0.055 0.000 0.787 251 E N 0.528 120.669 120.200 -0.099 0.000 2.072 251 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 251 E C 2.339 178.841 176.600 -0.164 0.000 0.985 251 E CA 1.551 57.890 56.400 -0.103 0.000 0.801 251 E CB -1.255 28.410 29.700 -0.058 0.000 0.750 251 E HN 0.232 nan 8.360 nan 0.000 0.452 252 A N 0.936 123.646 122.820 -0.184 0.000 1.930 252 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 252 A C 2.086 179.253 177.584 -0.696 0.000 1.175 252 A CA 1.368 53.246 52.037 -0.264 0.000 0.627 252 A CB -0.428 18.498 19.000 -0.123 0.000 0.815 252 A HN 0.189 nan 8.150 nan 0.000 0.443 253 Q N -0.604 118.768 119.800 -0.713 0.000 2.124 253 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 253 Q C 2.334 177.872 176.000 -0.770 0.000 0.977 253 Q CA 1.320 56.485 55.803 -1.064 0.000 0.850 253 Q CB -0.396 28.087 28.738 -0.425 0.000 0.901 253 Q HN 0.679 nan 8.270 nan 0.000 0.429 254 A N 1.320 123.897 122.820 -0.405 0.000 2.070 254 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 254 A C 1.943 179.411 177.584 -0.193 0.000 1.159 254 A CA 1.304 53.206 52.037 -0.225 0.000 0.656 254 A CB -0.267 18.648 19.000 -0.141 0.000 0.800 254 A HN 0.167 nan 8.150 nan 0.000 0.453 255 K N -1.021 119.215 120.400 -0.273 0.000 2.379 255 K HA 0.141 4.461 4.320 -0.000 0.000 0.194 255 K C -0.527 176.091 176.600 0.031 0.000 1.031 255 K CA -0.424 55.795 56.287 -0.113 0.000 1.037 255 K CB -0.075 32.371 32.500 -0.089 0.000 0.824 255 K HN 0.479 nan 8.250 nan 0.000 0.516 256 F N 3.295 123.230 119.950 -0.025 0.000 2.608 256 F HA -0.045 4.482 4.527 0.000 0.000 0.380 256 F C 0.865 176.646 175.800 -0.031 0.000 1.083 256 F CA -0.355 57.625 58.000 -0.034 0.000 1.266 256 F CB 0.351 39.333 39.000 -0.030 0.000 1.076 256 F HN -0.040 nan 8.300 nan 0.000 0.574 257 K N 3.444 123.936 120.400 0.152 0.000 2.451 257 K HA 0.228 4.548 4.320 -0.000 0.000 0.280 257 K C -1.021 175.617 176.600 0.063 0.000 1.020 257 K CA -0.251 56.077 56.287 0.068 0.000 1.008 257 K CB 0.633 33.144 32.500 0.018 0.000 0.917 257 K HN 0.439 nan 8.250 nan 0.000 0.478 258 V N 4.765 124.713 119.914 0.056 0.000 2.581 258 V HA 0.281 4.401 4.120 -0.000 0.000 0.303 258 V C -0.478 175.645 176.094 0.048 0.000 1.041 258 V CA -0.988 61.345 62.300 0.055 0.000 0.907 258 V CB 1.882 33.738 31.823 0.056 0.000 0.994 258 V HN 0.552 nan 8.190 nan 0.000 0.442 259 V N 5.682 125.634 119.914 0.062 0.000 2.370 259 V HA 0.376 4.496 4.120 -0.000 0.000 0.283 259 V C 0.935 177.054 176.094 0.043 0.000 1.023 259 V CA -0.379 61.962 62.300 0.070 0.000 0.857 259 V CB 1.206 33.114 31.823 0.142 0.000 0.985 259 V HN 0.831 nan 8.190 nan 0.000 0.443 260 R N 1.928 122.443 120.500 0.024 0.000 2.062 260 R HA 0.096 4.436 4.340 -0.000 0.000 0.226 260 R C 0.347 176.640 176.300 -0.012 0.000 1.125 260 R CA 0.618 56.723 56.100 0.008 0.000 0.966 260 R CB 0.223 30.527 30.300 0.006 0.000 0.861 260 R HN 0.547 nan 8.270 nan 0.000 0.433 261 E N 1.726 121.912 120.200 -0.024 0.000 2.014 261 E HA 0.162 4.512 4.350 -0.000 0.000 0.275 261 E C -1.124 175.404 176.600 -0.120 0.000 0.997 261 E CA -0.139 56.227 56.400 -0.057 0.000 0.804 261 E CB 1.549 31.221 29.700 -0.047 0.000 1.090 261 E HN -0.070 nan 8.360 nan 0.000 0.401 262 V N 5.652 125.476 119.914 -0.151 0.000 2.370 262 V HA 0.253 4.373 4.120 -0.000 0.000 0.283 262 V C -1.900 173.990 176.094 -0.341 0.000 1.023 262 V CA -1.846 60.275 62.300 -0.300 0.000 0.857 262 V CB 1.166 32.899 31.823 -0.151 0.000 0.985 262 V HN 0.469 nan 8.190 nan 0.000 0.443 263 P HA 0.120 nan 4.420 nan 0.000 0.268 263 P C 0.006 177.198 177.300 -0.180 0.000 1.208 263 P CA -0.355 62.547 63.100 -0.330 0.000 0.777 263 P CB 0.474 31.950 31.700 -0.373 0.000 0.875 264 R N 1.649 122.102 120.500 -0.079 0.000 2.623 264 R HA 0.123 4.463 4.340 -0.000 0.000 0.271 264 R C -0.494 175.816 176.300 0.018 0.000 1.043 264 R CA -0.401 55.687 56.100 -0.021 0.000 1.083 264 R CB -0.082 30.218 30.300 -0.001 0.000 0.974 264 R HN 0.323 nan 8.270 nan 0.000 0.436 265 L N 4.975 126.218 121.223 0.033 0.000 2.282 265 L HA 0.207 4.547 4.340 -0.000 0.000 0.287 265 L C -0.910 175.988 176.870 0.047 0.000 1.075 265 L CA 0.122 54.995 54.840 0.055 0.000 0.839 265 L CB 0.886 42.949 42.059 0.007 0.000 1.219 265 L HN 0.526 nan 8.230 nan 0.000 0.434 266 D N 4.383 124.821 120.400 0.062 0.000 2.317 266 D HA 0.243 4.883 4.640 -0.000 0.000 0.234 266 D C 0.150 176.479 176.300 0.048 0.000 1.112 266 D CA -0.097 53.932 54.000 0.048 0.000 0.840 266 D CB 0.942 41.771 40.800 0.049 0.000 1.078 266 D HN 0.525 nan 8.370 nan 0.000 0.486 267 R N 2.532 123.043 120.500 0.018 0.000 2.590 267 R HA 0.205 4.545 4.340 -0.000 0.000 0.410 267 R C 0.637 176.922 176.300 -0.025 0.000 1.010 267 R CA 0.359 56.461 56.100 0.003 0.000 1.155 267 R CB 0.028 30.312 30.300 -0.027 0.000 1.455 267 R HN 0.649 nan 8.270 nan 0.000 0.567 268 G N 1.935 110.722 108.800 -0.022 0.000 2.132 268 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.234 268 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.234 268 G C -0.084 174.775 174.900 -0.069 0.000 0.989 268 G CA 0.432 45.508 45.100 -0.039 0.000 0.676 268 G HN 0.521 nan 8.290 nan 0.000 0.522 269 Q N 0.701 120.447 119.800 -0.089 0.000 2.354 269 Q HA 0.556 4.896 4.340 -0.000 0.000 0.244 269 Q C -2.211 173.682 176.000 -0.179 0.000 0.969 269 Q CA -1.503 54.195 55.803 -0.176 0.000 0.885 269 Q CB 0.968 29.558 28.738 -0.247 0.000 1.241 269 Q HN 0.309 nan 8.270 nan 0.000 0.461 270 P HA 0.108 nan 4.420 nan 0.000 0.272 270 P C -0.430 176.809 177.300 -0.101 0.000 1.223 270 P CA -0.210 62.811 63.100 -0.131 0.000 0.784 270 P CB 0.667 32.312 31.700 -0.092 0.000 0.923 271 D N 0.370 120.756 120.400 -0.024 0.000 2.137 271 D HA 0.063 4.703 4.640 -0.000 0.000 0.202 271 D C 0.642 176.958 176.300 0.027 0.000 0.970 271 D CA 1.152 55.161 54.000 0.015 0.000 0.837 271 D CB -0.076 40.727 40.800 0.005 0.000 0.981 271 D HN 0.477 nan 8.370 nan 0.000 0.475 272 A N 0.090 122.923 122.820 0.022 0.000 2.319 272 A HA 0.737 5.057 4.320 -0.000 0.000 0.310 272 A C -0.625 177.000 177.584 0.069 0.000 1.152 272 A CA -0.520 51.541 52.037 0.040 0.000 0.783 272 A CB 1.395 20.412 19.000 0.028 0.000 1.184 272 A HN 0.087 nan 8.150 nan 0.000 0.474 273 A N 1.813 124.719 122.820 0.144 0.000 2.325 273 A HA 0.727 5.047 4.320 -0.000 0.000 0.333 273 A C -0.895 176.770 177.584 0.136 0.000 1.155 273 A CA -0.483 51.652 52.037 0.163 0.000 0.814 273 A CB 0.929 20.113 19.000 0.306 0.000 1.206 273 A HN 1.480 nan 8.150 nan 0.000 0.482 274 L N 3.332 124.598 121.223 0.072 0.000 2.295 274 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 274 L C -0.962 175.916 176.870 0.013 0.000 1.018 274 L CA -0.137 54.724 54.840 0.034 0.000 0.841 274 L CB 0.380 42.438 42.059 -0.002 0.000 1.218 274 L HN 0.552 nan 8.230 nan 0.000 0.424 275 I N 6.171 126.742 120.570 0.002 0.000 2.315 275 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 275 I C -0.456 175.644 176.117 -0.029 0.000 1.006 275 I CA -0.325 60.957 61.300 -0.030 0.000 1.265 275 I CB 0.845 38.794 38.000 -0.085 0.000 1.387 275 I HN 0.467 nan 8.210 nan 0.000 0.475 276 L N 7.718 128.928 121.223 -0.023 0.000 2.333 276 L HA 0.514 4.854 4.340 -0.000 0.000 0.269 276 L C -2.179 174.692 176.870 0.002 0.000 1.010 276 L CA -1.885 52.947 54.840 -0.014 0.000 0.818 276 L CB 1.908 43.947 42.059 -0.033 0.000 1.306 276 L HN 0.383 nan 8.230 nan 0.000 0.430 277 P HA 0.057 nan 4.420 nan 0.000 0.256 277 P C -0.450 176.861 177.300 0.019 0.000 1.688 277 P CA -0.068 63.051 63.100 0.030 0.000 1.162 277 P CB -0.002 31.723 31.700 0.042 0.000 1.870 278 V N 6.831 126.754 119.914 0.015 0.000 2.446 278 V HA 0.038 4.158 4.120 -0.000 0.000 0.276 278 V C -0.648 175.457 176.094 0.019 0.000 1.030 278 V CA -0.852 61.455 62.300 0.010 0.000 1.033 278 V CB 0.776 32.602 31.823 0.006 0.000 0.993 278 V HN 0.357 nan 8.190 nan 0.000 0.477 279 P HA 0.077 nan 4.420 nan 0.000 0.217 279 P C 0.736 178.049 177.300 0.021 0.000 1.154 279 P CA 1.426 64.540 63.100 0.022 0.000 0.841 279 P CB 0.242 31.953 31.700 0.018 0.000 0.788 280 G N 1.145 109.952 108.800 0.013 0.000 2.733 280 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.686 280 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.686 280 G C 0.658 175.564 174.900 0.011 0.000 1.373 280 G CA 0.103 45.208 45.100 0.009 0.000 0.838 280 G HN 0.439 nan 8.290 nan 0.000 0.588 281 K N -0.180 120.224 120.400 0.006 0.000 2.155 281 K HA 0.022 4.342 4.320 -0.000 0.000 0.203 281 K C 0.403 177.012 176.600 0.015 0.000 1.052 281 K CA 1.208 57.499 56.287 0.008 0.000 0.948 281 K CB 0.052 32.553 32.500 0.002 0.000 0.728 281 K HN 0.479 nan 8.250 nan 0.000 0.448 282 D N 0.951 121.364 120.400 0.021 0.000 2.383 282 D HA 0.308 4.948 4.640 -0.000 0.000 0.248 282 D C -0.269 176.056 176.300 0.042 0.000 1.170 282 D CA 0.809 54.829 54.000 0.033 0.000 0.977 282 D CB 1.057 41.883 40.800 0.044 0.000 1.120 282 D HN 0.393 nan 8.370 nan 0.000 0.481 283 A N 0.568 123.415 122.820 0.045 0.000 2.089 283 A HA -0.063 4.257 4.320 -0.000 0.000 0.260 283 A C -2.565 175.036 177.584 0.028 0.000 1.378 283 A CA -0.498 51.564 52.037 0.042 0.000 0.714 283 A CB -1.455 17.579 19.000 0.057 0.000 1.180 283 A HN 0.299 nan 8.150 nan 0.000 0.304 284 P HA 0.515 nan 4.420 nan 0.000 0.304 284 P C -0.010 177.296 177.300 0.011 0.000 1.366 284 P CA -0.666 62.443 63.100 0.015 0.000 0.859 284 P CB 1.035 32.743 31.700 0.013 0.000 0.961 285 R N 2.985 123.491 120.500 0.010 0.000 2.679 285 R HA 0.347 4.687 4.340 -0.000 0.000 0.269 285 R C 0.194 176.503 176.300 0.016 0.000 1.076 285 R CA -0.418 55.689 56.100 0.012 0.000 1.160 285 R CB 0.446 30.752 30.300 0.010 0.000 1.054 285 R HN 0.380 nan 8.270 nan 0.000 0.507 286 E N 3.800 124.011 120.200 0.018 0.000 2.222 286 E HA 0.174 4.524 4.350 -0.000 0.000 0.272 286 E C -0.398 176.215 176.600 0.022 0.000 0.982 286 E CA -0.861 55.554 56.400 0.024 0.000 0.842 286 E CB 1.019 30.734 29.700 0.025 0.000 1.144 286 E HN 0.576 nan 8.360 nan 0.000 0.397 287 M N 1.617 121.233 119.600 0.027 0.000 2.239 287 M HA 0.123 4.603 4.480 -0.000 0.000 0.348 287 M C 0.019 176.334 176.300 0.024 0.000 1.239 287 M CA 0.281 55.596 55.300 0.025 0.000 1.114 287 M CB 0.243 32.862 32.600 0.031 0.000 1.641 287 M HN 0.253 nan 8.290 nan 0.000 0.453 288 K N 1.112 121.524 120.400 0.020 0.000 2.185 288 K HA 0.624 4.944 4.320 -0.000 0.000 0.240 288 K C 0.145 176.757 176.600 0.021 0.000 0.983 288 K CA -0.403 55.896 56.287 0.019 0.000 0.873 288 K CB 1.400 33.909 32.500 0.016 0.000 1.118 288 K HN 0.749 nan 8.250 nan 0.000 0.441 289 G N -0.901 107.913 108.800 0.022 0.000 2.606 289 G HA2 0.284 4.244 3.960 -0.000 0.000 0.252 289 G HA3 0.284 4.244 3.960 -0.000 0.000 0.252 289 G C 0.327 175.236 174.900 0.015 0.000 1.206 289 G CA -0.026 45.090 45.100 0.026 0.000 0.861 289 G HN 0.636 nan 8.290 nan 0.000 0.561 290 T N -2.630 111.926 114.554 0.005 0.000 3.016 290 T HA 0.323 4.673 4.350 -0.000 0.000 0.271 290 T C 0.761 175.442 174.700 -0.031 0.000 0.968 290 T CA -0.258 61.835 62.100 -0.012 0.000 0.891 290 T CB 0.177 69.032 68.868 -0.022 0.000 1.149 290 T HN 0.245 nan 8.240 nan 0.000 0.524 291 M N 1.535 121.112 119.600 -0.039 0.000 2.706 291 M HA 0.552 5.032 4.480 -0.000 0.000 0.304 291 M C -0.044 176.277 176.300 0.035 0.000 1.217 291 M CA -0.837 54.410 55.300 -0.087 0.000 0.922 291 M CB 1.575 33.969 32.600 -0.344 0.000 1.637 291 M HN 0.004 nan 8.290 nan 0.000 0.492 292 K N 1.706 122.150 120.400 0.073 0.000 2.380 292 K HA 0.195 4.515 4.320 -0.000 0.000 0.267 292 K C -2.175 174.567 176.600 0.237 0.000 0.990 292 K CA -1.084 55.286 56.287 0.139 0.000 0.946 292 K CB -0.255 32.326 32.500 0.135 0.000 0.937 292 K HN 0.347 nan 8.250 nan 0.000 0.491 293 P HA 0.046 nan 4.420 nan 0.000 0.273 293 P C -0.737 176.585 177.300 0.036 0.000 1.250 293 P CA -0.307 62.842 63.100 0.082 0.000 0.793 293 P CB 0.590 32.300 31.700 0.017 0.000 1.011 294 V N 0.240 120.135 119.914 -0.032 0.000 2.443 294 V HA 0.512 4.632 4.120 -0.000 0.000 0.293 294 V C 0.365 176.460 176.094 0.002 0.000 1.021 294 V CA -0.862 61.392 62.300 -0.077 0.000 0.848 294 V CB 1.058 32.751 31.823 -0.217 0.000 0.998 294 V HN 0.744 nan 8.190 nan 0.000 0.424 295 A N 4.878 127.723 122.820 0.041 0.000 2.327 295 A HA 0.837 5.157 4.320 -0.000 0.000 0.283 295 A C -1.054 176.642 177.584 0.188 0.000 1.127 295 A CA -0.206 51.888 52.037 0.095 0.000 0.810 295 A CB 0.596 19.637 19.000 0.068 0.000 1.066 295 A HN 0.821 nan 8.150 nan 0.000 0.492 296 F N 1.944 121.910 119.950 0.025 0.000 2.536 296 F HA 0.382 4.909 4.527 -0.000 0.000 0.322 296 F C -0.583 175.282 175.800 0.108 0.000 1.144 296 F CA -1.363 56.665 58.000 0.046 0.000 0.924 296 F CB 1.847 40.848 39.000 0.002 0.000 1.181 296 F HN 0.537 nan 8.300 nan 0.000 0.438 297 D N 4.743 124.962 120.400 -0.301 0.000 2.470 297 D HA 0.017 4.657 4.640 -0.000 0.000 0.226 297 D C 1.274 177.254 176.300 -0.534 0.000 1.196 297 D CA 0.556 54.390 54.000 -0.276 0.000 0.979 297 D CB -0.132 40.592 40.800 -0.126 0.000 1.059 297 D HN 0.691 nan 8.370 nan 0.000 0.515 298 H N 3.485 122.215 119.070 -0.567 0.000 2.389 298 H HA -0.089 4.467 4.556 0.000 0.000 0.299 298 H C 1.618 176.848 175.328 -0.164 0.000 1.081 298 H CA 1.285 57.070 56.048 -0.439 0.000 1.345 298 H CB 0.570 30.296 29.762 -0.059 0.000 1.393 298 H HN 0.375 nan 8.280 nan 0.000 0.520 299 K N 0.169 120.591 120.400 0.037 0.000 2.062 299 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 299 K C 2.328 178.904 176.600 -0.039 0.000 1.051 299 K CA 0.945 57.255 56.287 0.039 0.000 0.941 299 K CB -0.056 32.456 32.500 0.020 0.000 0.719 299 K HN 0.205 nan 8.250 nan 0.000 0.440 300 A N 0.455 123.215 122.820 -0.100 0.000 1.933 300 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 300 A C 1.696 179.163 177.584 -0.196 0.000 1.175 300 A CA 1.690 53.637 52.037 -0.151 0.000 0.628 300 A CB -0.829 18.053 19.000 -0.196 0.000 0.814 300 A HN 0.462 nan 8.150 nan 0.000 0.444 301 H N -0.398 118.552 119.070 -0.201 0.000 2.389 301 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 301 H C 2.084 177.352 175.328 -0.100 0.000 1.081 301 H CA 1.591 57.551 56.048 -0.146 0.000 1.345 301 H CB 0.003 29.649 29.762 -0.193 0.000 1.393 301 H HN 0.642 nan 8.280 nan 0.000 0.520 302 E N 0.279 120.472 120.200 -0.012 0.000 2.070 302 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 302 E C 2.428 179.028 176.600 0.001 0.000 1.004 302 E CA 0.961 57.365 56.400 0.008 0.000 0.805 302 E CB -0.171 29.554 29.700 0.041 0.000 0.744 302 E HN 0.529 nan 8.360 nan 0.000 0.451 303 A N 1.192 123.998 122.820 -0.024 0.000 1.978 303 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 303 A C 1.902 179.467 177.584 -0.032 0.000 1.170 303 A CA 1.322 53.338 52.037 -0.034 0.000 0.636 303 A CB -0.093 18.877 19.000 -0.051 0.000 0.810 303 A HN -0.034 nan 8.150 nan 0.000 0.448 304 K N -0.677 119.701 120.400 -0.037 0.000 2.361 304 K HA 0.361 4.681 4.320 -0.000 0.000 0.194 304 K C 0.752 177.358 176.600 0.010 0.000 1.032 304 K CA 0.706 56.977 56.287 -0.027 0.000 1.048 304 K CB -0.166 32.297 32.500 -0.060 0.000 0.842 304 K HN 0.452 nan 8.250 nan 0.000 0.526 305 A N 1.047 123.885 122.820 0.029 0.000 2.264 305 A HA 0.267 4.587 4.320 -0.000 0.000 0.304 305 A C 0.671 178.279 177.584 0.040 0.000 1.100 305 A CA -0.417 51.648 52.037 0.047 0.000 0.839 305 A CB 0.442 19.481 19.000 0.065 0.000 1.121 305 A HN 0.231 nan 8.150 nan 0.000 0.496 306 N N -0.928 117.800 118.700 0.048 0.000 2.236 306 N HA 0.054 4.794 4.740 -0.000 0.000 0.196 306 N C -0.822 174.727 175.510 0.065 0.000 1.114 306 N CA 0.719 53.800 53.050 0.052 0.000 0.859 306 N CB 0.203 38.722 38.487 0.053 0.000 0.982 306 N HN 0.836 nan 8.380 nan 0.000 0.493 307 D N -2.337 118.104 120.400 0.067 0.000 2.992 307 D HA 0.106 4.746 4.640 -0.000 0.000 0.349 307 D C 0.123 176.472 176.300 0.082 0.000 1.393 307 D CA -0.464 53.581 54.000 0.074 0.000 0.887 307 D CB 0.363 41.218 40.800 0.092 0.000 1.447 307 D HN -0.150 nan 8.370 nan 0.000 0.524 308 C N -0.820 118.536 119.300 0.094 0.000 2.525 308 C HA 0.245 4.705 4.460 -0.000 0.000 0.291 308 C C 2.284 177.389 174.990 0.192 0.000 1.351 308 C CA 0.109 59.223 59.018 0.160 0.000 1.771 308 C CB -0.831 26.987 27.740 0.131 0.000 2.177 308 C HN 0.470 nan 8.230 nan 0.000 0.510 309 R N 1.285 121.869 120.500 0.141 0.000 2.152 309 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 309 R C 2.027 178.401 176.300 0.124 0.000 1.117 309 R CA 1.645 57.830 56.100 0.141 0.000 0.981 309 R CB -0.842 29.525 30.300 0.112 0.000 0.870 309 R HN 0.511 nan 8.270 nan 0.000 0.451 310 T N 0.362 114.970 114.554 0.091 0.000 2.685 310 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 310 T C 1.941 176.656 174.700 0.026 0.000 1.034 310 T CA 1.656 63.789 62.100 0.055 0.000 1.149 310 T CB -0.213 68.679 68.868 0.041 0.000 0.860 310 T HN 0.426 nan 8.240 nan 0.000 0.449 311 C N -0.496 118.801 119.300 -0.005 0.000 2.520 311 C HA 0.139 4.599 4.460 -0.000 0.000 0.291 311 C C 1.373 176.303 174.990 -0.101 0.000 1.364 311 C CA -0.590 58.356 59.018 -0.119 0.000 1.781 311 C CB -0.658 26.920 27.740 -0.271 0.000 2.171 311 C HN 0.538 nan 8.230 nan 0.000 0.516 312 H N 2.140 121.257 119.070 0.079 0.000 2.998 312 H HA 0.057 4.613 4.556 0.000 0.000 0.241 312 H C 1.133 176.477 175.328 0.026 0.000 1.852 312 H CA 0.451 56.526 56.048 0.044 0.000 1.419 312 H CB -0.578 29.203 29.762 0.032 0.000 1.793 312 H HN 0.786 nan 8.280 nan 0.000 0.553 313 H N -1.722 117.392 119.070 0.073 0.000 2.524 313 H HA 0.011 4.567 4.556 0.000 0.000 0.282 313 H C 1.092 176.453 175.328 0.054 0.000 1.016 313 H CA 0.506 56.587 56.048 0.055 0.000 1.270 313 H CB 0.224 30.004 29.762 0.030 0.000 1.394 313 H HN 0.174 nan 8.280 nan 0.000 0.568 314 V N -0.110 119.578 119.914 -0.376 0.000 2.743 314 V HA 0.238 4.358 4.120 -0.000 0.000 0.237 314 V C 0.681 176.713 176.094 -0.103 0.000 1.113 314 V CA 0.949 63.106 62.300 -0.238 0.000 1.141 314 V CB 0.115 31.732 31.823 -0.343 0.000 0.873 314 V HN 0.596 nan 8.190 nan 0.000 0.486 315 R N -0.923 119.526 120.500 -0.084 0.000 2.690 315 R HA 0.474 4.814 4.340 -0.000 0.000 0.269 315 R C -1.477 174.807 176.300 -0.027 0.000 1.037 315 R CA -0.930 55.144 56.100 -0.043 0.000 0.877 315 R CB 1.066 31.330 30.300 -0.059 0.000 1.255 315 R HN 0.053 nan 8.270 nan 0.000 0.467 316 I N 1.874 122.387 120.570 -0.095 0.000 2.598 316 I HA 0.151 4.321 4.170 -0.000 0.000 0.284 316 I C -0.129 175.894 176.117 -0.156 0.000 1.140 316 I CA 1.008 62.152 61.300 -0.260 0.000 1.420 316 I CB 0.294 38.125 38.000 -0.281 0.000 1.387 316 I HN 0.650 nan 8.210 nan 0.000 0.553 317 D N 2.790 123.119 120.400 -0.117 0.000 2.918 317 D HA 0.077 4.717 4.640 -0.000 0.000 0.342 317 D C -0.573 175.772 176.300 0.075 0.000 1.403 317 D CA -0.207 53.779 54.000 -0.024 0.000 0.776 317 D CB 0.753 41.543 40.800 -0.017 0.000 1.365 317 D HN 0.502 nan 8.370 nan 0.000 0.468 318 T N -1.458 113.126 114.554 0.051 0.000 2.667 318 T HA 0.284 4.634 4.350 -0.000 0.000 0.305 318 T C 1.500 176.250 174.700 0.083 0.000 1.022 318 T CA 0.129 62.273 62.100 0.072 0.000 0.995 318 T CB 0.221 69.105 68.868 0.027 0.000 1.026 318 T HN 0.494 nan 8.240 nan 0.000 0.527 319 C N 0.428 119.764 119.300 0.059 0.000 2.527 319 C HA 0.109 4.569 4.460 -0.000 0.000 0.280 319 C C 3.054 178.094 174.990 0.084 0.000 1.353 319 C CA 0.548 59.616 59.018 0.084 0.000 1.749 319 C CB -1.300 26.462 27.740 0.036 0.000 2.088 319 C HN 1.078 nan 8.230 nan 0.000 0.508 320 T N -0.068 114.510 114.554 0.041 0.000 3.113 320 T HA 0.046 4.396 4.350 -0.000 0.000 0.263 320 T C 1.736 176.436 174.700 -0.001 0.000 1.143 320 T CA 1.178 63.296 62.100 0.031 0.000 1.090 320 T CB -0.280 68.596 68.868 0.013 0.000 0.922 320 T HN 0.462 nan 8.240 nan 0.000 0.521 321 A N 0.332 123.142 122.820 -0.016 0.000 1.978 321 A HA -0.009 4.311 4.320 -0.000 0.000 0.220 321 A C 2.503 180.037 177.584 -0.083 0.000 1.170 321 A CA 1.520 53.531 52.037 -0.044 0.000 0.636 321 A CB -1.013 17.959 19.000 -0.046 0.000 0.810 321 A HN 0.728 nan 8.150 nan 0.000 0.448 322 C N -2.918 116.305 119.300 -0.128 0.000 2.426 322 C HA 0.251 4.711 4.460 -0.000 0.000 0.436 322 C C 0.826 175.671 174.990 -0.242 0.000 1.380 322 C CA -0.531 58.345 59.018 -0.237 0.000 2.446 322 C CB -0.658 26.859 27.740 -0.373 0.000 2.794 322 C HN 0.592 nan 8.230 nan 0.000 0.559 323 H N 3.008 122.060 119.070 -0.030 0.000 3.045 323 H HA 0.182 4.738 4.556 0.000 0.000 0.254 323 H C 0.637 175.957 175.328 -0.013 0.000 1.747 323 H CA 0.394 56.431 56.048 -0.018 0.000 1.444 323 H CB -0.368 29.384 29.762 -0.017 0.000 1.778 323 H HN 0.557 nan 8.280 nan 0.000 0.544 324 T N -2.628 111.967 114.554 0.069 0.000 2.766 324 T HA 0.076 4.426 4.350 -0.000 0.000 0.295 324 T C 1.915 176.659 174.700 0.075 0.000 1.024 324 T CA -0.738 61.395 62.100 0.055 0.000 1.018 324 T CB 1.019 69.908 68.868 0.034 0.000 1.002 324 T HN 0.128 nan 8.240 nan 0.000 0.532 325 V N 1.266 121.216 119.914 0.060 0.000 2.380 325 V HA -0.163 3.957 4.120 -0.000 0.000 0.251 325 V C 2.644 178.783 176.094 0.074 0.000 1.063 325 V CA 2.166 64.503 62.300 0.062 0.000 1.055 325 V CB -1.021 30.831 31.823 0.049 0.000 0.657 325 V HN 0.902 nan 8.190 nan 0.000 0.455 326 N N -0.361 118.387 118.700 0.081 0.000 2.325 326 N HA 0.173 4.913 4.740 -0.000 0.000 0.182 326 N C 0.782 176.386 175.510 0.157 0.000 1.088 326 N CA 1.029 54.139 53.050 0.100 0.000 0.879 326 N CB 0.844 39.385 38.487 0.090 0.000 0.983 326 N HN 0.592 nan 8.380 nan 0.000 0.471 327 G N -0.104 108.782 108.800 0.143 0.000 2.733 327 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 327 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 327 G C -0.423 174.541 174.900 0.106 0.000 1.373 327 G CA -0.113 45.079 45.100 0.153 0.000 0.838 327 G HN 0.480 nan 8.290 nan 0.000 0.588 328 T N -2.105 112.356 114.554 -0.155 0.000 2.865 328 T HA 0.887 5.237 4.350 -0.000 0.000 0.294 328 T C 1.568 175.664 174.700 -1.007 0.000 1.119 328 T CA 0.449 62.330 62.100 -0.365 0.000 1.007 328 T CB 1.492 70.234 68.868 -0.210 0.000 1.225 328 T HN 2.289 nan 8.240 nan 0.000 0.515 329 A N 0.511 122.752 122.820 -0.964 0.000 1.948 329 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 329 A C 1.823 179.113 177.584 -0.489 0.000 1.177 329 A CA 1.952 53.481 52.037 -0.847 0.000 0.636 329 A CB -1.129 17.681 19.000 -0.317 0.000 0.815 329 A HN 0.879 nan 8.150 nan 0.000 0.449 330 D N -0.327 119.860 120.400 -0.354 0.000 2.310 330 D HA -0.060 4.580 4.640 -0.000 0.000 0.212 330 D C 1.762 177.898 176.300 -0.273 0.000 0.965 330 D CA 1.407 55.257 54.000 -0.251 0.000 0.879 330 D CB -0.055 40.625 40.800 -0.199 0.000 0.921 330 D HN 0.600 nan 8.370 nan 0.000 0.510 331 S N -0.444 115.050 115.700 -0.342 0.000 2.568 331 S HA 0.133 4.603 4.470 -0.000 0.000 0.232 331 S C 0.573 175.071 174.600 -0.170 0.000 0.975 331 S CA -0.503 57.511 58.200 -0.310 0.000 0.949 331 S CB 0.081 63.020 63.200 -0.434 0.000 0.829 331 S HN 0.032 nan 8.310 nan 0.000 0.479 332 K N 0.670 120.919 120.400 -0.252 0.000 3.012 332 K HA -0.239 4.081 4.320 -0.000 0.000 0.259 332 K C -0.526 176.078 176.600 0.006 0.000 0.989 332 K CA 0.769 56.969 56.287 -0.144 0.000 0.728 332 K CB -2.417 30.087 32.500 0.007 0.000 1.260 332 K HN 0.551 nan 8.250 nan 0.000 0.480 333 F N -3.744 116.220 119.950 0.023 0.000 2.914 333 F HA -0.267 4.260 4.527 -0.000 0.000 0.304 333 F C 0.448 176.290 175.800 0.069 0.000 0.712 333 F CA 0.565 58.587 58.000 0.037 0.000 1.211 333 F CB -1.609 37.406 39.000 0.025 0.000 1.515 333 F HN -0.007 nan 8.300 nan 0.000 0.350 334 V N 2.095 122.128 119.914 0.198 0.000 2.450 334 V HA -0.008 4.112 4.120 -0.000 0.000 0.281 334 V C 0.802 177.067 176.094 0.285 0.000 1.019 334 V CA 0.219 62.653 62.300 0.224 0.000 1.062 334 V CB 0.765 32.751 31.823 0.272 0.000 0.979 334 V HN 0.173 nan 8.190 nan 0.000 0.477 335 Q N 2.643 122.546 119.800 0.173 0.000 2.382 335 Q HA 0.200 4.540 4.340 -0.000 0.000 0.229 335 Q C 1.128 177.179 176.000 0.084 0.000 1.006 335 Q CA -0.780 55.109 55.803 0.143 0.000 0.916 335 Q CB 0.871 29.672 28.738 0.105 0.000 1.235 335 Q HN 0.614 nan 8.270 nan 0.000 0.512 336 L N 1.724 122.997 121.223 0.084 0.000 2.043 336 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 336 L C 2.128 178.979 176.870 -0.032 0.000 1.075 336 L CA 2.231 57.083 54.840 0.019 0.000 0.752 336 L CB -0.505 41.578 42.059 0.040 0.000 0.891 336 L HN 0.847 nan 8.230 nan 0.000 0.432 337 E N -0.491 119.743 120.200 0.055 0.000 2.058 337 E HA -0.333 4.017 4.350 -0.000 0.000 0.194 337 E C 2.273 178.955 176.600 0.135 0.000 0.997 337 E CA 1.806 58.309 56.400 0.171 0.000 0.801 337 E CB -0.187 29.617 29.700 0.173 0.000 0.746 337 E HN 0.522 nan 8.360 nan 0.000 0.450 338 K N 0.022 120.441 120.400 0.030 0.000 2.057 338 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 338 K C 1.955 178.463 176.600 -0.154 0.000 1.050 338 K CA 1.242 57.516 56.287 -0.023 0.000 0.935 338 K CB -0.268 32.221 32.500 -0.018 0.000 0.715 338 K HN 0.194 nan 8.250 nan 0.000 0.439 339 A N 0.385 123.029 122.820 -0.294 0.000 2.024 339 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 339 A C 1.886 179.246 177.584 -0.373 0.000 1.164 339 A CA 1.516 53.263 52.037 -0.483 0.000 0.643 339 A CB -0.302 18.202 19.000 -0.826 0.000 0.806 339 A HN 0.326 nan 8.150 nan 0.000 0.451 340 M N -2.171 117.200 119.600 -0.382 0.000 2.461 340 M HA 0.157 4.637 4.480 -0.000 0.000 0.255 340 M C 0.871 176.832 176.300 -0.565 0.000 1.137 340 M CA 0.938 55.923 55.300 -0.526 0.000 1.086 340 M CB -0.701 31.509 32.600 -0.650 0.000 1.356 340 M HN 0.633 nan 8.290 nan 0.000 0.487 341 H N -1.739 117.262 119.070 -0.114 0.000 3.241 341 H HA 0.197 4.753 4.556 -0.000 0.000 0.260 341 H C 0.414 175.693 175.328 -0.081 0.000 1.084 341 H CA -0.324 55.677 56.048 -0.078 0.000 1.203 341 H CB 0.567 30.310 29.762 -0.031 0.000 1.524 341 H HN 0.145 nan 8.280 nan 0.000 0.521 342 Q N 4.707 124.503 119.800 -0.007 0.000 2.557 342 Q HA -0.046 4.294 4.340 -0.000 0.000 0.316 342 Q C -1.567 174.411 176.000 -0.036 0.000 1.130 342 Q CA -0.743 55.041 55.803 -0.031 0.000 1.065 342 Q CB 0.701 29.393 28.738 -0.077 0.000 1.014 342 Q HN 0.255 nan 8.270 nan 0.000 0.397 343 P HA -0.142 nan 4.420 nan 0.000 0.226 343 P C -0.412 176.872 177.300 -0.026 0.000 1.146 343 P CA 1.253 64.343 63.100 -0.016 0.000 0.773 343 P CB 0.282 31.980 31.700 -0.002 0.000 0.772 344 D N -2.701 117.679 120.400 -0.033 0.000 2.469 344 D HA 0.088 4.728 4.640 -0.000 0.000 0.213 344 D C 0.284 176.557 176.300 -0.045 0.000 1.135 344 D CA -0.323 53.659 54.000 -0.031 0.000 0.834 344 D CB -0.298 40.489 40.800 -0.021 0.000 1.009 344 D HN -0.085 nan 8.370 nan 0.000 0.507 345 S N -0.032 115.628 115.700 -0.066 0.000 2.489 345 S HA 0.322 4.792 4.470 -0.000 0.000 0.291 345 S C 0.972 175.516 174.600 -0.093 0.000 1.151 345 S CA -0.650 57.499 58.200 -0.086 0.000 1.082 345 S CB 0.810 63.939 63.200 -0.118 0.000 1.019 345 S HN -0.001 nan 8.310 nan 0.000 0.492 346 M N 3.700 123.252 119.600 -0.081 0.000 2.557 346 M HA 0.071 4.551 4.480 -0.000 0.000 0.259 346 M C 1.510 177.750 176.300 -0.100 0.000 1.086 346 M CA 0.972 56.229 55.300 -0.072 0.000 1.096 346 M CB -0.758 31.818 32.600 -0.041 0.000 1.424 346 M HN 0.685 nan 8.290 nan 0.000 0.488 347 R N -0.356 120.064 120.500 -0.134 0.000 2.210 347 R HA 0.029 4.369 4.340 -0.000 0.000 0.203 347 R C 1.117 177.288 176.300 -0.214 0.000 1.010 347 R CA 0.370 56.374 56.100 -0.160 0.000 1.008 347 R CB 0.032 30.217 30.300 -0.191 0.000 0.923 347 R HN 0.298 nan 8.270 nan 0.000 0.469 348 S N -0.976 114.590 115.700 -0.224 0.000 2.646 348 S HA 0.109 4.579 4.470 -0.000 0.000 0.276 348 S C 1.401 175.802 174.600 -0.331 0.000 1.222 348 S CA -1.067 56.967 58.200 -0.276 0.000 1.014 348 S CB 1.650 64.712 63.200 -0.230 0.000 0.991 348 S HN 0.183 nan 8.310 nan 0.000 0.533 349 C N 1.414 120.470 119.300 -0.406 0.000 2.388 349 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 349 C C 2.704 177.310 174.990 -0.642 0.000 1.210 349 C CA 0.714 59.405 59.018 -0.546 0.000 1.743 349 C CB -1.757 25.742 27.740 -0.400 0.000 2.047 349 C HN 0.808 nan 8.230 nan 0.000 0.458 350 V N 1.475 121.200 119.914 -0.315 0.000 2.427 350 V HA -0.041 4.079 4.120 -0.000 0.000 0.248 350 V C 2.691 178.699 176.094 -0.143 0.000 1.051 350 V CA 2.297 64.499 62.300 -0.164 0.000 1.048 350 V CB -1.585 30.234 31.823 -0.006 0.000 0.666 350 V HN 0.684 nan 8.190 nan 0.000 0.456 351 G N -1.246 107.464 108.800 -0.150 0.000 2.433 351 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.216 351 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.216 351 G C 1.912 176.754 174.900 -0.096 0.000 1.186 351 G CA 1.196 46.233 45.100 -0.105 0.000 0.779 351 G HN 0.527 nan 8.290 nan 0.000 0.543 352 C N 0.333 119.549 119.300 -0.140 0.000 2.429 352 C HA -0.007 4.453 4.460 -0.000 0.000 0.277 352 C C 2.585 177.588 174.990 0.021 0.000 1.262 352 C CA 1.372 60.350 59.018 -0.067 0.000 1.733 352 C CB -1.397 26.303 27.740 -0.067 0.000 2.010 352 C HN 0.637 nan 8.230 nan 0.000 0.483 353 H N 0.054 119.074 119.070 -0.084 0.000 2.387 353 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 353 H C 1.945 177.184 175.328 -0.148 0.000 1.099 353 H CA 1.502 57.467 56.048 -0.137 0.000 1.315 353 H CB -0.102 29.522 29.762 -0.231 0.000 1.380 353 H HN 0.501 nan 8.280 nan 0.000 0.513 354 N N 0.094 118.796 118.700 0.003 0.000 2.149 354 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 354 N C 2.196 177.689 175.510 -0.029 0.000 1.019 354 N CA 1.812 54.846 53.050 -0.027 0.000 0.857 354 N CB -0.502 37.974 38.487 -0.019 0.000 0.997 354 N HN 0.537 nan 8.380 nan 0.000 0.426 355 T N -1.783 112.760 114.554 -0.018 0.000 2.904 355 T HA 0.019 4.369 4.350 -0.000 0.000 0.267 355 T C 2.037 176.724 174.700 -0.023 0.000 1.059 355 T CA 0.640 62.732 62.100 -0.014 0.000 1.137 355 T CB 0.004 68.868 68.868 -0.007 0.000 0.879 355 T HN -0.112 nan 8.240 nan 0.000 0.467 356 R N 1.557 122.040 120.500 -0.028 0.000 2.091 356 R HA 0.005 4.345 4.340 -0.000 0.000 0.238 356 R C 2.556 178.802 176.300 -0.090 0.000 1.136 356 R CA 1.493 57.563 56.100 -0.050 0.000 0.959 356 R CB -1.329 28.937 30.300 -0.058 0.000 0.856 356 R HN 0.595 nan 8.270 nan 0.000 0.437 357 V N -1.378 118.447 119.914 -0.148 0.000 3.510 357 V HA -0.032 4.088 4.120 -0.000 0.000 0.270 357 V C 1.159 177.207 176.094 -0.076 0.000 1.201 357 V CA 1.047 63.211 62.300 -0.226 0.000 1.166 357 V CB -0.451 31.050 31.823 -0.537 0.000 0.825 357 V HN 0.222 nan 8.190 nan 0.000 0.484 358 Q N 0.079 119.859 119.800 -0.033 0.000 2.403 358 Q HA 0.143 4.483 4.340 -0.000 0.000 0.203 358 Q C 0.705 176.712 176.000 0.011 0.000 0.932 358 Q CA -0.002 55.805 55.803 0.006 0.000 0.945 358 Q CB 0.091 28.833 28.738 0.007 0.000 1.045 358 Q HN 0.730 nan 8.270 nan 0.000 0.511 359 Q N 1.519 121.318 119.800 -0.001 0.000 2.361 359 Q HA -0.034 4.306 4.340 -0.000 0.000 0.276 359 Q C -1.540 174.475 176.000 0.025 0.000 1.022 359 Q CA -1.185 54.623 55.803 0.008 0.000 0.898 359 Q CB 0.576 29.313 28.738 -0.002 0.000 1.246 359 Q HN 0.079 nan 8.270 nan 0.000 0.410 360 P HA -0.218 nan 4.420 nan 0.000 0.217 360 P C 1.139 178.467 177.300 0.045 0.000 1.148 360 P CA 1.720 64.842 63.100 0.036 0.000 0.828 360 P CB -0.081 31.634 31.700 0.027 0.000 0.783 361 T N -3.513 111.064 114.554 0.038 0.000 2.915 361 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 361 T C 1.844 176.590 174.700 0.076 0.000 1.071 361 T CA 1.379 63.507 62.100 0.046 0.000 1.132 361 T CB -1.401 67.487 68.868 0.034 0.000 0.878 361 T HN 0.108 nan 8.240 nan 0.000 0.479 362 C N 1.077 120.425 119.300 0.080 0.000 2.609 362 C HA 0.700 5.160 4.460 -0.000 0.000 0.305 362 C C 3.308 178.418 174.990 0.200 0.000 1.319 362 C CA -0.292 58.811 59.018 0.141 0.000 1.793 362 C CB -0.997 26.758 27.740 0.024 0.000 2.260 362 C HN 0.668 nan 8.230 nan 0.000 0.535 363 A N 1.563 124.460 122.820 0.127 0.000 2.067 363 A HA 0.170 4.490 4.320 -0.000 0.000 0.219 363 A C 2.279 179.944 177.584 0.134 0.000 1.158 363 A CA 1.794 53.912 52.037 0.136 0.000 0.661 363 A CB -1.058 17.993 19.000 0.084 0.000 0.801 363 A HN 0.541 nan 8.150 nan 0.000 0.452 364 G N -0.553 108.312 108.800 0.108 0.000 2.491 364 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 364 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 364 G C 1.579 176.524 174.900 0.074 0.000 1.180 364 G CA 1.487 46.632 45.100 0.074 0.000 0.774 364 G HN 0.525 nan 8.290 nan 0.000 0.562 365 C N -0.797 118.558 119.300 0.091 0.000 2.505 365 C HA 0.171 4.631 4.460 -0.000 0.000 0.279 365 C C 2.407 177.434 174.990 0.061 0.000 1.316 365 C CA 0.362 59.416 59.018 0.059 0.000 1.720 365 C CB -0.962 26.769 27.740 -0.014 0.000 2.050 365 C HN 0.501 nan 8.230 nan 0.000 0.493 366 H N 0.133 119.274 119.070 0.118 0.000 2.529 366 H HA 0.007 4.563 4.556 -0.000 0.000 0.277 366 H C 2.296 177.679 175.328 0.091 0.000 0.999 366 H CA 1.314 57.424 56.048 0.103 0.000 1.256 366 H CB -0.180 29.629 29.762 0.079 0.000 1.402 366 H HN 0.565 nan 8.280 nan 0.000 0.566 367 G N -0.966 107.946 108.800 0.186 0.000 2.985 367 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.209 367 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.209 367 G C 1.148 176.142 174.900 0.158 0.000 1.165 367 G CA -0.113 45.072 45.100 0.141 0.000 0.776 367 G HN 0.321 nan 8.290 nan 0.000 0.541 368 F N 1.148 121.098 119.950 -0.001 0.000 2.557 368 F HA 0.427 4.954 4.527 -0.000 0.000 0.278 368 F C 1.125 176.926 175.800 0.002 0.000 1.051 368 F CA -0.973 57.013 58.000 -0.023 0.000 1.357 368 F CB 0.198 39.155 39.000 -0.072 0.000 1.104 368 F HN 0.029 nan 8.300 nan 0.000 0.654 369 I N 0.724 121.256 120.570 -0.063 0.000 2.764 369 I HA 0.236 4.406 4.170 -0.000 0.000 0.294 369 I C -0.189 175.863 176.117 -0.109 0.000 1.045 369 I CA -0.689 60.530 61.300 -0.135 0.000 1.340 369 I CB 0.904 38.888 38.000 -0.028 0.000 1.436 369 I HN 0.017 nan 8.210 nan 0.000 0.567 370 K N 5.211 125.557 120.400 -0.089 0.000 2.221 370 K HA 0.530 4.850 4.320 -0.000 0.000 0.258 370 K C -2.476 174.117 176.600 -0.011 0.000 0.944 370 K CA -1.772 54.484 56.287 -0.051 0.000 0.823 370 K CB 1.339 33.796 32.500 -0.073 0.000 1.113 370 K HN 0.585 nan 8.250 nan 0.000 0.431 371 P HA -0.012 nan 4.420 nan 0.000 0.267 371 P C 0.404 177.718 177.300 0.023 0.000 1.200 371 P CA -0.106 63.015 63.100 0.036 0.000 0.772 371 P CB 0.960 32.686 31.700 0.043 0.000 0.855 372 T N -1.928 112.649 114.554 0.039 0.000 3.035 372 T HA -0.027 4.323 4.350 -0.000 0.000 0.259 372 T C 0.821 175.536 174.700 0.025 0.000 1.078 372 T CA -0.115 62.002 62.100 0.028 0.000 1.132 372 T CB -0.337 68.556 68.868 0.041 0.000 0.900 372 T HN 0.367 nan 8.240 nan 0.000 0.480 373 K N 2.045 122.468 120.400 0.038 0.000 3.020 373 K HA -0.150 4.170 4.320 -0.000 0.000 0.266 373 K C 0.451 177.067 176.600 0.027 0.000 1.067 373 K CA 0.934 57.238 56.287 0.029 0.000 0.780 373 K CB -2.743 29.757 32.500 0.001 0.000 1.220 373 K HN 0.900 nan 8.250 nan 0.000 0.483 374 S N -0.107 115.618 115.700 0.041 0.000 2.576 374 S HA 0.121 4.591 4.470 -0.000 0.000 0.272 374 S C 1.150 175.774 174.600 0.040 0.000 1.352 374 S CA -0.189 58.032 58.200 0.036 0.000 1.021 374 S CB 1.068 64.295 63.200 0.045 0.000 0.887 374 S HN 0.124 nan 8.310 nan 0.000 0.542 375 D N 1.976 122.393 120.400 0.027 0.000 2.158 375 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 375 D C 2.192 178.519 176.300 0.045 0.000 0.995 375 D CA 1.945 55.961 54.000 0.027 0.000 0.846 375 D CB -0.863 39.948 40.800 0.017 0.000 0.941 375 D HN 0.737 nan 8.370 nan 0.000 0.456 376 A N 0.699 123.547 122.820 0.047 0.000 1.877 376 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 376 A C 2.133 179.759 177.584 0.070 0.000 1.186 376 A CA 1.272 53.340 52.037 0.050 0.000 0.620 376 A CB -0.405 18.623 19.000 0.046 0.000 0.822 376 A HN 0.090 nan 8.150 nan 0.000 0.443 377 Q N -0.513 119.345 119.800 0.097 0.000 2.084 377 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 377 Q C 2.410 178.518 176.000 0.180 0.000 0.978 377 Q CA 1.665 57.560 55.803 0.153 0.000 0.844 377 Q CB -0.840 28.003 28.738 0.174 0.000 0.898 377 Q HN 0.754 nan 8.270 nan 0.000 0.426 378 C N -0.178 119.211 119.300 0.149 0.000 2.413 378 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 378 C C 2.532 177.654 174.990 0.219 0.000 1.265 378 C CA 0.846 59.980 59.018 0.192 0.000 1.752 378 C CB -1.439 26.359 27.740 0.096 0.000 1.998 378 C HN 0.642 nan 8.230 nan 0.000 0.489 379 G N 0.044 108.923 108.800 0.131 0.000 2.679 379 G HA2 0.008 3.968 3.960 -0.000 0.000 0.212 379 G HA3 0.008 3.968 3.960 -0.000 0.000 0.212 379 G C 1.502 176.434 174.900 0.053 0.000 1.137 379 G CA 0.760 45.923 45.100 0.104 0.000 0.787 379 G HN 0.430 nan 8.290 nan 0.000 0.534 380 V N 0.040 119.963 119.914 0.016 0.000 2.407 380 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 380 V C 2.736 178.776 176.094 -0.091 0.000 1.055 380 V CA 1.829 64.039 62.300 -0.150 0.000 1.049 380 V CB -0.352 31.193 31.823 -0.464 0.000 0.662 380 V HN 0.518 nan 8.190 nan 0.000 0.455 381 C N -2.314 117.007 119.300 0.035 0.000 2.487 381 C HA 0.176 4.636 4.460 -0.000 0.000 0.311 381 C C 1.260 176.208 174.990 -0.069 0.000 1.367 381 C CA -0.445 58.573 59.018 -0.000 0.000 1.865 381 C CB -0.571 27.175 27.740 0.010 0.000 2.277 381 C HN 0.488 nan 8.230 nan 0.000 0.521 382 H N 1.703 120.818 119.070 0.074 0.000 2.911 382 H HA 0.422 4.978 4.556 -0.000 0.000 0.273 382 H C -0.152 175.201 175.328 0.041 0.000 1.157 382 H CA 0.538 56.622 56.048 0.059 0.000 1.402 382 H CB 0.391 30.191 29.762 0.064 0.000 1.463 382 H HN 0.328 nan 8.280 nan 0.000 0.475 383 V N 0.180 120.161 119.914 0.111 0.000 3.001 383 V HA 0.803 4.923 4.120 -0.000 0.000 0.314 383 V C 0.344 176.483 176.094 0.076 0.000 1.099 383 V CA -1.393 60.953 62.300 0.078 0.000 0.989 383 V CB 1.601 33.451 31.823 0.045 0.000 1.040 383 V HN 0.727 nan 8.190 nan 0.000 0.434 384 A N 1.761 124.622 122.820 0.068 0.000 2.462 384 A HA 0.757 5.077 4.320 -0.000 0.000 0.243 384 A C 0.581 178.216 177.584 0.085 0.000 1.076 384 A CA 0.289 52.371 52.037 0.075 0.000 0.773 384 A CB 0.039 19.079 19.000 0.067 0.000 1.010 384 A HN 2.220 nan 8.150 nan 0.000 0.493 385 A N 3.848 126.736 122.820 0.112 0.000 2.310 385 A HA 0.693 5.013 4.320 -0.000 0.000 0.299 385 A C -2.267 175.449 177.584 0.219 0.000 1.147 385 A CA -1.717 50.413 52.037 0.155 0.000 0.818 385 A CB 0.030 19.111 19.000 0.135 0.000 1.096 385 A HN 0.699 nan 8.150 nan 0.000 0.495 386 P HA 0.258 nan 4.420 nan 0.000 0.271 386 P C 0.825 178.188 177.300 0.106 0.000 1.220 386 P CA 1.307 64.486 63.100 0.132 0.000 0.768 386 P CB 0.960 32.716 31.700 0.094 0.000 0.848 387 G N 1.903 110.679 108.800 -0.039 0.000 2.179 387 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 387 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 387 G C -0.276 174.329 174.900 -0.492 0.000 0.977 387 G CA -0.279 44.652 45.100 -0.282 0.000 0.641 387 G HN 0.462 nan 8.290 nan 0.000 0.533 388 F N 0.516 120.475 119.950 0.015 0.000 2.532 388 F HA 0.651 5.178 4.527 -0.000 0.000 0.321 388 F C 0.268 176.078 175.800 0.017 0.000 1.089 388 F CA -0.901 57.109 58.000 0.016 0.000 0.926 388 F CB 1.796 40.807 39.000 0.019 0.000 1.168 388 F HN 0.036 nan 8.300 nan 0.000 0.459 389 D N 0.765 121.284 120.400 0.199 0.000 2.466 389 D HA 0.547 5.187 4.640 -0.000 0.000 0.262 389 D C 0.911 177.283 176.300 0.120 0.000 1.177 389 D CA -0.038 54.035 54.000 0.122 0.000 1.035 389 D CB 1.663 42.510 40.800 0.078 0.000 1.105 389 D HN 0.509 nan 8.370 nan 0.000 0.551 390 A N 0.774 123.642 122.820 0.079 0.000 1.930 390 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 390 A C 1.795 179.412 177.584 0.055 0.000 1.175 390 A CA 1.864 53.938 52.037 0.062 0.000 0.627 390 A CB -0.719 18.308 19.000 0.045 0.000 0.815 390 A HN 0.681 nan 8.150 nan 0.000 0.443 391 K N -0.361 120.072 120.400 0.055 0.000 2.147 391 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 391 K C 1.753 178.385 176.600 0.055 0.000 1.049 391 K CA 1.691 58.006 56.287 0.047 0.000 0.936 391 K CB -0.296 32.229 32.500 0.042 0.000 0.722 391 K HN 0.571 nan 8.250 nan 0.000 0.446 392 Q N 0.849 120.698 119.800 0.082 0.000 2.212 392 Q HA 0.014 4.354 4.340 -0.000 0.000 0.199 392 Q C 2.211 178.245 176.000 0.057 0.000 0.950 392 Q CA 0.783 56.645 55.803 0.099 0.000 0.863 392 Q CB 0.150 29.004 28.738 0.194 0.000 0.944 392 Q HN 0.101 nan 8.270 nan 0.000 0.465 393 V N 2.525 122.461 119.914 0.037 0.000 2.270 393 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 393 V C 1.785 177.873 176.094 -0.011 0.000 1.043 393 V CA 1.914 64.198 62.300 -0.027 0.000 1.014 393 V CB -0.550 31.262 31.823 -0.018 0.000 0.645 393 V HN 0.478 nan 8.190 nan 0.000 0.447 394 E N 0.843 121.050 120.200 0.012 0.000 2.321 394 E HA 0.176 4.526 4.350 -0.000 0.000 0.189 394 E C 1.127 177.736 176.600 0.015 0.000 1.125 394 E CA 0.769 57.177 56.400 0.013 0.000 1.005 394 E CB 0.109 29.820 29.700 0.019 0.000 1.140 394 E HN 0.544 nan 8.360 nan 0.000 0.457 395 A N 0.390 123.219 122.820 0.015 0.000 2.358 395 A HA 0.506 4.826 4.320 -0.000 0.000 0.223 395 A C 1.646 179.237 177.584 0.010 0.000 1.218 395 A CA 0.398 52.446 52.037 0.018 0.000 0.942 395 A CB 0.403 19.421 19.000 0.030 0.000 1.005 395 A HN 0.432 nan 8.150 nan 0.000 0.514 396 G N -1.366 107.432 108.800 -0.003 0.000 2.163 396 G HA2 0.015 3.975 3.960 -0.000 0.000 0.213 396 G HA3 0.015 3.975 3.960 -0.000 0.000 0.213 396 G C 1.202 176.088 174.900 -0.024 0.000 0.991 396 G CA 0.820 45.911 45.100 -0.015 0.000 0.653 396 G HN 1.387 nan 8.290 nan 0.000 0.518 397 A N -0.171 122.640 122.820 -0.016 0.000 2.093 397 A HA 0.122 4.442 4.320 -0.000 0.000 0.222 397 A C 2.094 179.640 177.584 -0.064 0.000 1.162 397 A CA 1.984 54.025 52.037 0.007 0.000 0.655 397 A CB -0.215 18.837 19.000 0.087 0.000 0.805 397 A HN 0.784 nan 8.150 nan 0.000 0.461 398 L N -1.327 119.806 121.223 -0.150 0.000 2.640 398 L HA 0.227 4.567 4.340 -0.000 0.000 0.230 398 L C 1.961 178.772 176.870 -0.098 0.000 1.123 398 L CA 0.425 55.144 54.840 -0.200 0.000 0.900 398 L CB -0.987 40.887 42.059 -0.310 0.000 1.146 398 L HN 0.361 nan 8.230 nan 0.000 0.484 399 L N -0.021 121.166 121.223 -0.060 0.000 2.141 399 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 399 L C 1.287 178.142 176.870 -0.025 0.000 1.094 399 L CA 1.424 56.242 54.840 -0.037 0.000 0.763 399 L CB -0.102 41.943 42.059 -0.023 0.000 0.908 399 L HN 0.412 nan 8.230 nan 0.000 0.437 400 N N -1.176 117.514 118.700 -0.017 0.000 2.203 400 N HA 0.131 4.871 4.740 -0.000 0.000 0.207 400 N C -0.452 175.055 175.510 -0.004 0.000 1.130 400 N CA -0.516 52.528 53.050 -0.009 0.000 0.861 400 N CB 0.567 39.053 38.487 -0.002 0.000 1.005 400 N HN 0.000 nan 8.380 nan 0.000 0.507 401 L N 1.830 123.049 121.223 -0.007 0.000 2.485 401 L HA 0.033 4.373 4.340 -0.000 0.000 0.275 401 L C 0.791 177.661 176.870 -0.001 0.000 1.207 401 L CA 0.607 55.450 54.840 0.004 0.000 0.855 401 L CB 0.152 42.211 42.059 -0.001 0.000 1.114 401 L HN -0.003 nan 8.230 nan 0.000 0.485 402 K N 1.598 122.002 120.400 0.005 0.000 2.319 402 K HA 0.146 4.466 4.320 -0.000 0.000 0.265 402 K C 1.123 177.721 176.600 -0.003 0.000 1.000 402 K CA 0.297 56.584 56.287 -0.001 0.000 0.943 402 K CB 0.617 33.118 32.500 0.002 0.000 0.950 402 K HN 0.752 nan 8.250 nan 0.000 0.485 403 A N 2.389 125.203 122.820 -0.010 0.000 1.948 403 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 403 A C 2.032 179.612 177.584 -0.007 0.000 1.177 403 A CA 2.010 54.039 52.037 -0.013 0.000 0.636 403 A CB -0.441 18.545 19.000 -0.022 0.000 0.815 403 A HN 0.957 nan 8.150 nan 0.000 0.449 404 E N -0.835 119.363 120.200 -0.004 0.000 2.150 404 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 404 E C 2.156 178.763 176.600 0.011 0.000 0.985 404 E CA 1.276 57.676 56.400 0.001 0.000 0.814 404 E CB -0.123 29.578 29.700 0.001 0.000 0.752 404 E HN 0.807 nan 8.360 nan 0.000 0.466 405 Q N 0.381 120.191 119.800 0.016 0.000 2.096 405 Q HA -0.124 4.216 4.340 -0.000 0.000 0.197 405 Q C 2.320 178.340 176.000 0.033 0.000 0.964 405 Q CA 1.142 56.963 55.803 0.031 0.000 0.838 405 Q CB 0.003 28.764 28.738 0.038 0.000 0.906 405 Q HN 0.233 nan 8.270 nan 0.000 0.444 406 R N -0.603 119.906 120.500 0.016 0.000 2.148 406 R HA 0.023 4.363 4.340 -0.000 0.000 0.227 406 R C 2.013 178.323 176.300 0.017 0.000 1.103 406 R CA 1.392 57.496 56.100 0.007 0.000 0.983 406 R CB -0.337 29.957 30.300 -0.009 0.000 0.874 406 R HN 0.014 nan 8.270 nan 0.000 0.451 407 S N 1.630 117.340 115.700 0.016 0.000 2.368 407 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 407 S C 1.910 176.525 174.600 0.025 0.000 1.029 407 S CA 1.341 59.552 58.200 0.018 0.000 0.988 407 S CB -0.089 63.115 63.200 0.008 0.000 0.838 407 S HN 0.448 nan 8.310 nan 0.000 0.462 408 Q N 0.380 120.197 119.800 0.029 0.000 2.050 408 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 408 Q C 2.306 178.335 176.000 0.048 0.000 0.980 408 Q CA 1.453 57.278 55.803 0.036 0.000 0.840 408 Q CB -0.409 28.353 28.738 0.040 0.000 0.898 408 Q HN 0.364 nan 8.270 nan 0.000 0.424 409 V N 1.037 120.987 119.914 0.060 0.000 2.343 409 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 409 V C 2.254 178.381 176.094 0.055 0.000 1.051 409 V CA 1.895 64.241 62.300 0.077 0.000 1.036 409 V CB -0.980 30.889 31.823 0.077 0.000 0.654 409 V HN 0.410 nan 8.190 nan 0.000 0.451 410 A N -0.070 122.775 122.820 0.041 0.000 1.898 410 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 410 A C 2.425 180.033 177.584 0.040 0.000 1.181 410 A CA 1.849 53.912 52.037 0.043 0.000 0.620 410 A CB -0.802 18.227 19.000 0.049 0.000 0.819 410 A HN 0.556 nan 8.150 nan 0.000 0.442 411 A N -0.561 122.279 122.820 0.033 0.000 1.933 411 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 411 A C 2.473 180.073 177.584 0.026 0.000 1.175 411 A CA 2.234 54.285 52.037 0.025 0.000 0.628 411 A CB -0.904 18.107 19.000 0.019 0.000 0.814 411 A HN 0.621 nan 8.150 nan 0.000 0.444 412 S N -0.723 114.997 115.700 0.034 0.000 2.356 412 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 412 S C 2.110 176.731 174.600 0.035 0.000 1.032 412 S CA 1.836 60.058 58.200 0.036 0.000 1.005 412 S CB -0.436 62.794 63.200 0.049 0.000 0.867 412 S HN 0.530 nan 8.310 nan 0.000 0.449 413 M N 0.752 120.377 119.600 0.042 0.000 2.108 413 M HA -0.056 4.424 4.480 -0.000 0.000 0.261 413 M C 2.131 178.447 176.300 0.027 0.000 1.066 413 M CA 1.422 56.745 55.300 0.039 0.000 1.107 413 M CB -0.509 32.118 32.600 0.044 0.000 1.356 413 M HN 0.335 nan 8.290 nan 0.000 0.406 414 L N -0.463 120.775 121.223 0.025 0.000 2.017 414 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 414 L C 2.738 179.610 176.870 0.004 0.000 1.073 414 L CA 1.649 56.498 54.840 0.014 0.000 0.745 414 L CB -0.852 41.215 42.059 0.013 0.000 0.894 414 L HN 0.419 nan 8.230 nan 0.000 0.432 415 S N -0.338 115.366 115.700 0.007 0.000 2.461 415 S HA -0.011 4.459 4.470 -0.000 0.000 0.228 415 S C 1.961 176.563 174.600 0.003 0.000 1.005 415 S CA 0.567 58.768 58.200 0.003 0.000 0.942 415 S CB -0.156 63.047 63.200 0.006 0.000 0.776 415 S HN 0.318 nan 8.310 nan 0.000 0.514 416 A N 1.558 124.383 122.820 0.009 0.000 2.167 416 A HA 0.233 4.553 4.320 -0.000 0.000 0.214 416 A C 1.188 178.774 177.584 0.003 0.000 1.151 416 A CA -0.275 51.768 52.037 0.010 0.000 0.735 416 A CB -0.348 18.663 19.000 0.019 0.000 0.802 416 A HN 0.525 nan 8.150 nan 0.000 0.467 417 R N 1.360 121.858 120.500 -0.004 0.000 2.570 417 R HA 0.209 4.549 4.340 -0.000 0.000 0.277 417 R C -2.206 174.083 176.300 -0.019 0.000 1.039 417 R CA -1.233 54.856 56.100 -0.017 0.000 1.065 417 R CB -0.189 30.092 30.300 -0.032 0.000 0.964 417 R HN 0.279 nan 8.270 nan 0.000 0.428 418 P HA -0.093 nan 4.420 nan 0.000 0.268 418 P C -0.631 176.656 177.300 -0.022 0.000 1.208 418 P CA 0.064 63.154 63.100 -0.016 0.000 0.777 418 P CB 0.568 32.260 31.700 -0.015 0.000 0.875 419 Q N 1.684 121.475 119.800 -0.015 0.000 2.392 419 Q HA 0.176 4.516 4.340 -0.000 0.000 0.262 419 Q C -1.876 174.114 176.000 -0.017 0.000 1.003 419 Q CA -1.279 54.514 55.803 -0.015 0.000 0.888 419 Q CB -0.795 27.938 28.738 -0.008 0.000 1.260 419 Q HN 0.359 nan 8.270 nan 0.000 0.435 420 P HA -0.015 nan 4.420 nan 0.000 0.260 420 P C 0.051 177.345 177.300 -0.010 0.000 1.185 420 P CA 0.382 63.473 63.100 -0.015 0.000 0.763 420 P CB 0.373 32.067 31.700 -0.009 0.000 0.776 421 K N 2.480 122.871 120.400 -0.015 0.000 2.486 421 K HA 0.083 4.403 4.320 -0.000 0.000 0.194 421 K C 1.375 177.957 176.600 -0.030 0.000 1.033 421 K CA 0.467 56.740 56.287 -0.023 0.000 1.004 421 K CB -0.323 32.154 32.500 -0.038 0.000 0.798 421 K HN 0.810 nan 8.250 nan 0.000 0.495 422 G N 1.064 109.855 108.800 -0.016 0.000 2.591 422 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.278 422 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.278 422 G C -0.206 174.658 174.900 -0.061 0.000 1.293 422 G CA 0.033 45.125 45.100 -0.013 0.000 0.930 422 G HN 0.238 nan 8.290 nan 0.000 0.562 423 T N 0.246 114.768 114.554 -0.053 0.000 2.932 423 T HA 0.589 4.939 4.350 -0.000 0.000 0.289 423 T C 0.411 175.089 174.700 -0.036 0.000 1.039 423 T CA -0.346 61.689 62.100 -0.108 0.000 1.024 423 T CB 1.198 70.043 68.868 -0.038 0.000 1.090 423 T HN 0.483 nan 8.240 nan 0.000 0.496 424 F N 1.707 121.672 119.950 0.024 0.000 2.657 424 F HA -0.057 4.470 4.527 -0.000 0.000 0.354 424 F C 1.508 177.320 175.800 0.020 0.000 1.148 424 F CA -0.144 57.870 58.000 0.023 0.000 1.368 424 F CB 0.364 39.380 39.000 0.026 0.000 1.036 424 F HN 0.466 nan 8.300 nan 0.000 0.619 425 D N 2.753 123.298 120.400 0.241 0.000 2.382 425 D HA -0.010 4.630 4.640 -0.000 0.000 0.259 425 D C 0.744 177.111 176.300 0.112 0.000 1.224 425 D CA -0.188 53.889 54.000 0.128 0.000 0.894 425 D CB 0.892 41.744 40.800 0.086 0.000 1.127 425 D HN 0.335 nan 8.370 nan 0.000 0.487 426 L N 4.340 125.616 121.223 0.089 0.000 2.353 426 L HA -0.129 4.211 4.340 -0.000 0.000 0.220 426 L C 1.742 178.646 176.870 0.055 0.000 1.133 426 L CA 1.159 56.045 54.840 0.075 0.000 0.798 426 L CB -0.708 41.380 42.059 0.048 0.000 0.922 426 L HN 0.475 nan 8.230 nan 0.000 0.445 427 N N -0.827 117.898 118.700 0.042 0.000 2.550 427 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 427 N C 0.645 176.166 175.510 0.018 0.000 1.110 427 N CA 0.460 53.526 53.050 0.026 0.000 0.912 427 N CB 0.047 38.546 38.487 0.019 0.000 0.968 427 N HN 0.281 nan 8.380 nan 0.000 0.448 428 D N 0.535 120.946 120.400 0.018 0.000 2.340 428 D HA 0.103 4.743 4.640 -0.000 0.000 0.217 428 D C 0.377 176.662 176.300 -0.025 0.000 1.081 428 D CA 0.150 54.137 54.000 -0.020 0.000 0.842 428 D CB 0.363 41.129 40.800 -0.057 0.000 0.934 428 D HN 0.441 nan 8.370 nan 0.000 0.511 429 I N -2.379 118.211 120.570 0.033 0.000 2.693 429 I HA 0.522 4.692 4.170 -0.000 0.000 0.303 429 I C -2.659 173.506 176.117 0.081 0.000 1.025 429 I CA -2.621 58.723 61.300 0.074 0.000 1.086 429 I CB 2.155 40.273 38.000 0.197 0.000 1.268 429 I HN -0.382 nan 8.210 nan 0.000 0.440 430 P HA 0.000 nan 4.420 nan 0.000 0.265 430 P C 0.004 177.355 177.300 0.084 0.000 1.193 430 P CA 0.276 63.378 63.100 0.003 0.000 0.765 430 P CB 1.034 32.674 31.700 -0.101 0.000 0.823 431 E N 2.480 122.706 120.200 0.044 0.000 2.112 431 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 431 E C -0.004 176.609 176.600 0.022 0.000 0.979 431 E CA 0.947 57.369 56.400 0.037 0.000 0.814 431 E CB 0.260 29.965 29.700 0.008 0.000 0.762 431 E HN 0.434 nan 8.360 nan 0.000 0.460 432 K N 0.659 121.067 120.400 0.012 0.000 2.482 432 K HA 0.335 4.655 4.320 -0.000 0.000 0.251 432 K C -1.513 175.102 176.600 0.026 0.000 0.936 432 K CA -0.483 55.808 56.287 0.007 0.000 0.791 432 K CB 3.001 35.500 32.500 -0.001 0.000 1.213 432 K HN -0.090 nan 8.250 nan 0.000 0.428 433 V N 3.005 122.966 119.914 0.079 0.000 2.667 433 V HA 0.432 4.552 4.120 -0.000 0.000 0.308 433 V C -0.928 175.238 176.094 0.120 0.000 1.048 433 V CA -0.732 61.618 62.300 0.083 0.000 0.928 433 V CB 1.893 33.770 31.823 0.089 0.000 1.004 433 V HN 0.539 nan 8.190 nan 0.000 0.444 434 V N 8.067 128.021 119.914 0.066 0.000 2.383 434 V HA 0.515 4.635 4.120 -0.000 0.000 0.275 434 V C -0.065 176.040 176.094 0.020 0.000 1.036 434 V CA -0.265 62.064 62.300 0.049 0.000 0.889 434 V CB 1.123 32.965 31.823 0.032 0.000 0.985 434 V HN 0.747 nan 8.190 nan 0.000 0.459 435 I N 7.122 127.677 120.570 -0.024 0.000 2.347 435 I HA 0.489 4.659 4.170 -0.000 0.000 0.283 435 I C 1.035 177.082 176.117 -0.118 0.000 1.058 435 I CA 0.072 61.292 61.300 -0.134 0.000 1.202 435 I CB 1.099 38.876 38.000 -0.373 0.000 1.386 435 I HN 0.752 nan 8.210 nan 0.000 0.475 436 G N 2.355 111.124 108.800 -0.052 0.000 4.213 436 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.274 436 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.274 436 G C 1.020 175.921 174.900 0.000 0.000 1.033 436 G CA 0.236 45.321 45.100 -0.025 0.000 0.822 436 G HN 0.513 nan 8.290 nan 0.000 0.432 437 S N 1.059 116.772 115.700 0.022 0.000 2.392 437 S HA -0.150 4.320 4.470 -0.000 0.000 0.232 437 S C 1.959 176.583 174.600 0.040 0.000 1.041 437 S CA 1.625 59.855 58.200 0.049 0.000 1.026 437 S CB -0.269 62.989 63.200 0.096 0.000 0.845 437 S HN 0.731 nan 8.310 nan 0.000 0.465 438 I N -1.248 119.343 120.570 0.035 0.000 3.936 438 I HA 0.580 4.750 4.170 -0.000 0.000 0.330 438 I C 0.355 176.471 176.117 -0.001 0.000 1.509 438 I CA -0.755 60.559 61.300 0.023 0.000 1.126 438 I CB -0.057 37.965 38.000 0.037 0.000 1.115 438 I HN 0.205 nan 8.210 nan 0.000 0.424 439 A N 1.862 124.678 122.820 -0.006 0.000 2.587 439 A HA 0.165 4.485 4.320 -0.000 0.000 0.233 439 A C 0.931 178.510 177.584 -0.007 0.000 1.049 439 A CA 0.926 52.958 52.037 -0.009 0.000 0.754 439 A CB 0.439 19.440 19.000 0.001 0.000 0.977 439 A HN 0.717 nan 8.150 nan 0.000 0.509 440 K N 0.039 120.433 120.400 -0.011 0.000 3.148 440 K HA 0.054 4.374 4.320 -0.000 0.000 0.219 440 K C 1.233 177.804 176.600 -0.048 0.000 2.206 440 K CA 0.395 56.669 56.287 -0.021 0.000 1.506 440 K CB -0.173 32.318 32.500 -0.015 0.000 2.496 440 K HN 0.487 nan 8.250 nan 0.000 0.570 441 E N -0.497 119.673 120.200 -0.049 0.000 2.276 441 E HA 0.215 4.565 4.350 -0.000 0.000 0.193 441 E C -0.605 175.748 176.600 -0.412 0.000 0.983 441 E CA 0.773 57.064 56.400 -0.182 0.000 0.861 441 E CB 0.369 30.003 29.700 -0.109 0.000 0.817 441 E HN 0.185 nan 8.360 nan 0.000 0.485 442 Y N -0.364 119.868 120.300 -0.113 0.000 2.662 442 Y HA 0.404 4.954 4.550 0.000 0.000 0.335 442 Y C 0.397 176.266 175.900 -0.052 0.000 1.066 442 Y CA -1.154 56.895 58.100 -0.084 0.000 1.116 442 Y CB 0.849 39.196 38.460 -0.189 0.000 1.308 442 Y HN -0.287 nan 8.280 nan 0.000 0.502 443 Q N 1.628 121.536 119.800 0.180 0.000 2.443 443 Q HA 0.250 4.590 4.340 -0.000 0.000 0.232 443 Q C -2.355 173.712 176.000 0.110 0.000 1.026 443 Q CA -1.771 54.098 55.803 0.111 0.000 0.924 443 Q CB 0.166 28.967 28.738 0.106 0.000 1.256 443 Q HN 0.240 nan 8.270 nan 0.000 0.519 444 P HA -0.036 nan 4.420 nan 0.000 0.269 444 P C -0.818 176.522 177.300 0.067 0.000 1.215 444 P CA 0.076 63.200 63.100 0.040 0.000 0.780 444 P CB 0.656 32.369 31.700 0.022 0.000 0.898 445 S N 1.117 116.842 115.700 0.042 0.000 2.548 445 S HA 0.082 4.551 4.470 -0.000 0.000 0.277 445 S C 0.062 174.701 174.600 0.066 0.000 1.315 445 S CA -0.219 58.015 58.200 0.056 0.000 1.050 445 S CB -0.215 62.981 63.200 -0.008 0.000 0.918 445 S HN 0.276 nan 8.310 nan 0.000 0.497 446 E N 4.047 124.299 120.200 0.086 0.000 1.986 446 E HA 0.268 4.618 4.350 -0.000 0.000 0.264 446 E C -1.218 175.472 176.600 0.150 0.000 1.023 446 E CA -0.389 56.067 56.400 0.094 0.000 0.834 446 E CB 0.003 29.739 29.700 0.059 0.000 1.111 446 E HN 0.475 nan 8.360 nan 0.000 0.417 447 F N 6.664 126.615 119.950 0.001 0.000 2.424 447 F HA 0.378 4.905 4.527 -0.000 0.000 0.356 447 F C -1.865 173.968 175.800 0.055 0.000 1.110 447 F CA -3.230 54.782 58.000 0.019 0.000 1.161 447 F CB 1.038 40.050 39.000 0.020 0.000 1.115 447 F HN 0.339 nan 8.300 nan 0.000 0.507 448 P HA -0.057 nan 4.420 nan 0.000 0.232 448 P C 0.920 177.840 177.300 -0.633 0.000 1.738 448 P CA 0.559 63.423 63.100 -0.393 0.000 0.948 448 P CB -0.595 30.964 31.700 -0.236 0.000 1.943 449 H N 2.285 120.905 119.070 -0.750 0.000 2.252 449 H HA -0.194 4.362 4.556 -0.000 0.000 0.292 449 H C 1.953 177.102 175.328 -0.299 0.000 1.082 449 H CA 2.004 57.686 56.048 -0.610 0.000 1.229 449 H CB 0.182 29.839 29.762 -0.175 0.000 1.353 449 H HN 0.169 nan 8.280 nan 0.000 0.488 450 R N 0.892 121.328 120.500 -0.107 0.000 2.115 450 R HA -0.093 4.247 4.340 -0.000 0.000 0.226 450 R C 2.578 178.806 176.300 -0.119 0.000 1.100 450 R CA 1.327 57.377 56.100 -0.084 0.000 0.980 450 R CB -0.072 30.233 30.300 0.007 0.000 0.875 450 R HN 0.266 nan 8.270 nan 0.000 0.445 451 K N 0.580 120.899 120.400 -0.136 0.000 2.057 451 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 451 K C 1.964 178.493 176.600 -0.118 0.000 1.049 451 K CA 1.407 57.628 56.287 -0.110 0.000 0.931 451 K CB -0.044 32.393 32.500 -0.106 0.000 0.714 451 K HN 0.195 nan 8.250 nan 0.000 0.440 452 I N 0.739 121.204 120.570 -0.176 0.000 2.202 452 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 452 I C 2.171 178.226 176.117 -0.103 0.000 1.091 452 I CA 0.814 62.037 61.300 -0.128 0.000 1.368 452 I CB -0.176 37.741 38.000 -0.139 0.000 1.058 452 I HN -0.018 nan 8.210 nan 0.000 0.410 453 V N 1.221 121.044 119.914 -0.152 0.000 2.392 453 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 453 V C 2.515 178.575 176.094 -0.055 0.000 1.059 453 V CA 2.132 64.368 62.300 -0.107 0.000 1.051 453 V CB -0.826 30.916 31.823 -0.136 0.000 0.658 453 V HN 0.438 nan 8.190 nan 0.000 0.455 454 K N -0.027 120.340 120.400 -0.055 0.000 2.057 454 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 454 K C 2.159 178.746 176.600 -0.022 0.000 1.049 454 K CA 1.927 58.196 56.287 -0.029 0.000 0.931 454 K CB -0.309 32.173 32.500 -0.030 0.000 0.714 454 K HN 0.506 nan 8.250 nan 0.000 0.440 455 T N 1.700 116.236 114.554 -0.030 0.000 2.777 455 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 455 T C 1.744 176.440 174.700 -0.006 0.000 1.040 455 T CA 1.284 63.373 62.100 -0.019 0.000 1.141 455 T CB -0.140 68.713 68.868 -0.025 0.000 0.868 455 T HN 0.146 nan 8.240 nan 0.000 0.444 456 L N 0.298 121.517 121.223 -0.008 0.000 2.042 456 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 456 L C 2.451 179.331 176.870 0.018 0.000 1.076 456 L CA 1.321 56.166 54.840 0.007 0.000 0.749 456 L CB -0.594 41.464 42.059 -0.002 0.000 0.893 456 L HN 0.275 nan 8.230 nan 0.000 0.432 457 I N -0.341 120.235 120.570 0.010 0.000 2.315 457 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 457 I C 2.799 178.930 176.117 0.023 0.000 1.117 457 I CA 1.008 62.321 61.300 0.021 0.000 1.404 457 I CB -0.468 37.541 38.000 0.015 0.000 1.071 457 I HN 0.193 nan 8.210 nan 0.000 0.419 458 A N 1.093 123.921 122.820 0.012 0.000 1.877 458 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 458 A C 2.466 180.059 177.584 0.014 0.000 1.186 458 A CA 1.947 53.990 52.037 0.010 0.000 0.620 458 A CB -1.498 17.503 19.000 0.002 0.000 0.822 458 A HN 0.446 nan 8.150 nan 0.000 0.443 459 G N -0.077 108.733 108.800 0.017 0.000 2.442 459 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 459 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 459 G C 1.508 176.426 174.900 0.029 0.000 1.141 459 G CA 1.136 46.249 45.100 0.021 0.000 0.763 459 G HN 0.494 nan 8.290 nan 0.000 0.554 460 I N 0.932 121.528 120.570 0.043 0.000 2.286 460 I HA 0.007 4.177 4.170 -0.000 0.000 0.248 460 I C 2.344 178.481 176.117 0.034 0.000 1.115 460 I CA 0.793 62.127 61.300 0.055 0.000 1.392 460 I CB -0.639 37.417 38.000 0.093 0.000 1.065 460 I HN 0.420 nan 8.210 nan 0.000 0.418 461 G N 1.122 109.938 108.800 0.027 0.000 2.611 461 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.301 461 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.301 461 G C 0.525 175.433 174.900 0.013 0.000 1.233 461 G CA 0.371 45.480 45.100 0.015 0.000 0.993 461 G HN 0.365 nan 8.290 nan 0.000 0.553 462 E N 1.748 121.950 120.200 0.002 0.000 2.419 462 E HA 0.113 4.463 4.350 -0.000 0.000 0.190 462 E C 0.617 177.209 176.600 -0.014 0.000 1.040 462 E CA -0.089 56.308 56.400 -0.005 0.000 0.900 462 E CB -0.071 29.623 29.700 -0.011 0.000 1.054 462 E HN 0.503 nan 8.360 nan 0.000 0.462 463 D N 1.688 122.081 120.400 -0.010 0.000 2.472 463 D HA -0.086 4.554 4.640 -0.000 0.000 0.248 463 D C 0.886 177.165 176.300 -0.036 0.000 1.174 463 D CA 0.230 54.214 54.000 -0.027 0.000 0.883 463 D CB 0.816 41.603 40.800 -0.022 0.000 1.149 463 D HN -0.229 nan 8.370 nan 0.000 0.488 464 K N 3.701 124.069 120.400 -0.054 0.000 2.228 464 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 464 K C 1.576 178.146 176.600 -0.050 0.000 1.051 464 K CA 0.097 56.352 56.287 -0.054 0.000 0.960 464 K CB -0.170 32.287 32.500 -0.072 0.000 0.743 464 K HN 0.385 nan 8.250 nan 0.000 0.458 465 L N 1.199 122.375 121.223 -0.079 0.000 2.056 465 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 465 L C 2.089 178.907 176.870 -0.087 0.000 1.078 465 L CA 1.696 56.486 54.840 -0.083 0.000 0.749 465 L CB -0.849 41.070 42.059 -0.235 0.000 0.901 465 L HN 0.118 nan 8.230 nan 0.000 0.433 466 A N -0.683 122.043 122.820 -0.156 0.000 1.902 466 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 466 A C 2.435 179.887 177.584 -0.219 0.000 1.181 466 A CA 1.777 53.632 52.037 -0.304 0.000 0.623 466 A CB -1.092 17.889 19.000 -0.032 0.000 0.818 466 A HN 0.514 nan 8.150 nan 0.000 0.443 467 A N -1.193 121.599 122.820 -0.047 0.000 1.933 467 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 467 A C 2.262 179.837 177.584 -0.016 0.000 1.175 467 A CA 2.258 54.298 52.037 0.006 0.000 0.628 467 A CB -0.961 18.037 19.000 -0.003 0.000 0.814 467 A HN 0.436 nan 8.150 nan 0.000 0.444 468 T N -1.638 112.888 114.554 -0.047 0.000 3.009 468 T HA 0.107 4.457 4.350 -0.000 0.000 0.258 468 T C 1.207 175.773 174.700 -0.223 0.000 1.063 468 T CA 0.893 62.915 62.100 -0.129 0.000 1.139 468 T CB -0.249 68.517 68.868 -0.171 0.000 0.890 468 T HN 0.393 nan 8.240 nan 0.000 0.471 469 F N 0.508 120.387 119.950 -0.118 0.000 2.754 469 F HA 0.220 4.747 4.527 -0.000 0.000 0.297 469 F C 1.009 176.821 175.800 0.020 0.000 1.122 469 F CA -0.087 57.874 58.000 -0.066 0.000 1.400 469 F CB -0.125 38.813 39.000 -0.103 0.000 1.117 469 F HN 0.237 nan 8.300 nan 0.000 0.587 470 H N 1.557 120.720 119.070 0.156 0.000 2.855 470 H HA 0.175 4.731 4.556 0.000 0.000 0.238 470 H C 1.657 176.999 175.328 0.024 0.000 1.847 470 H CA -0.318 55.786 56.048 0.092 0.000 1.368 470 H CB -0.066 29.741 29.762 0.075 0.000 1.758 470 H HN 0.334 nan 8.280 nan 0.000 0.546 471 I N -1.873 118.774 120.570 0.127 0.000 3.111 471 I HA 0.086 4.256 4.170 -0.000 0.000 0.272 471 I C 0.200 176.321 176.117 0.007 0.000 1.268 471 I CA 0.639 61.962 61.300 0.039 0.000 1.467 471 I CB 0.157 38.170 38.000 0.022 0.000 1.087 471 I HN 0.271 nan 8.210 nan 0.000 0.467 472 E N 1.228 121.425 120.200 -0.005 0.000 2.244 472 E HA 0.322 4.672 4.350 -0.000 0.000 0.266 472 E C 0.132 176.617 176.600 -0.191 0.000 0.914 472 E CA -0.907 55.447 56.400 -0.075 0.000 0.794 472 E CB 1.670 31.341 29.700 -0.048 0.000 1.210 472 E HN -0.038 nan 8.360 nan 0.000 0.414 473 K N 0.766 120.950 120.400 -0.360 0.000 2.152 473 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 473 K C 1.473 177.514 176.600 -0.932 0.000 1.048 473 K CA 1.348 57.199 56.287 -0.727 0.000 0.933 473 K CB -0.252 31.558 32.500 -1.150 0.000 0.721 473 K HN 0.683 nan 8.250 nan 0.000 0.447 474 G N 0.181 108.573 108.800 -0.680 0.000 3.337 474 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.246 474 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.246 474 G C 1.119 175.983 174.900 -0.060 0.000 1.131 474 G CA -0.109 44.845 45.100 -0.244 0.000 0.773 474 G HN 0.110 nan 8.290 nan 0.000 0.544 475 T N 1.484 115.979 114.554 -0.099 0.000 2.684 475 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 475 T C 2.402 177.050 174.700 -0.087 0.000 1.036 475 T CA 0.712 62.786 62.100 -0.043 0.000 1.148 475 T CB -0.168 68.695 68.868 -0.008 0.000 0.863 475 T HN 0.198 nan 8.240 nan 0.000 0.436 476 L N 0.718 121.844 121.223 -0.161 0.000 2.127 476 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 476 L C 2.822 179.677 176.870 -0.025 0.000 1.089 476 L CA 0.943 55.681 54.840 -0.171 0.000 0.757 476 L CB -0.811 41.154 42.059 -0.157 0.000 0.899 476 L HN 0.431 nan 8.230 nan 0.000 0.434 477 C N -0.728 118.610 119.300 0.064 0.000 2.419 477 C HA -0.163 4.297 4.460 -0.000 0.000 0.281 477 C C 2.579 177.710 174.990 0.237 0.000 1.336 477 C CA 0.364 59.506 59.018 0.207 0.000 1.770 477 C CB -1.044 26.859 27.740 0.273 0.000 1.929 477 C HN 0.540 nan 8.230 nan 0.000 0.509 478 Q N 0.604 120.498 119.800 0.157 0.000 2.488 478 Q HA 0.000 4.340 4.340 -0.000 0.000 0.211 478 Q C 2.319 178.414 176.000 0.159 0.000 0.967 478 Q CA 0.961 56.874 55.803 0.183 0.000 0.926 478 Q CB -0.263 28.556 28.738 0.135 0.000 0.992 478 Q HN 0.825 nan 8.270 nan 0.000 0.506 479 G N -0.374 108.471 108.800 0.075 0.000 2.498 479 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 479 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 479 G C 1.127 176.044 174.900 0.028 0.000 1.119 479 G CA 0.845 45.975 45.100 0.050 0.000 0.766 479 G HN 0.373 nan 8.290 nan 0.000 0.552 480 C N -1.740 117.533 119.300 -0.044 0.000 2.854 480 C HA 0.296 4.756 4.460 -0.000 0.000 0.524 480 C C 0.717 175.604 174.990 -0.171 0.000 1.332 480 C CA -0.752 58.092 59.018 -0.291 0.000 2.553 480 C CB -0.238 27.266 27.740 -0.393 0.000 3.360 480 C HN 0.394 nan 8.230 nan 0.000 0.541 481 H N 2.748 121.891 119.070 0.123 0.000 3.045 481 H HA 0.151 4.707 4.556 -0.000 0.000 0.254 481 H C 0.305 175.802 175.328 0.281 0.000 1.747 481 H CA 0.364 56.526 56.048 0.190 0.000 1.444 481 H CB -0.760 29.102 29.762 0.166 0.000 1.778 481 H HN 0.747 nan 8.280 nan 0.000 0.544 482 H N -0.282 118.952 119.070 0.274 0.000 2.505 482 H HA 0.182 4.738 4.556 -0.000 0.000 0.355 482 H C 0.286 175.695 175.328 0.134 0.000 1.179 482 H CA -0.904 55.264 56.048 0.200 0.000 1.343 482 H CB 0.949 30.824 29.762 0.188 0.000 1.501 482 H HN 0.189 nan 8.280 nan 0.000 0.569 483 N N -0.587 118.130 118.700 0.029 0.000 2.800 483 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 483 N C -1.032 174.478 175.510 0.000 0.000 1.078 483 N CA 1.361 54.357 53.050 -0.090 0.000 0.804 483 N CB -1.429 36.878 38.487 -0.299 0.000 1.135 483 N HN 0.843 nan 8.380 nan 0.000 0.565 484 S N -1.516 114.227 115.700 0.071 0.000 2.595 484 S HA 0.792 5.262 4.470 -0.000 0.000 0.281 484 S C -2.909 171.738 174.600 0.078 0.000 1.117 484 S CA -1.179 57.062 58.200 0.067 0.000 0.873 484 S CB 3.365 66.616 63.200 0.086 0.000 1.108 484 S HN -0.053 nan 8.310 nan 0.000 0.477 485 P HA 0.245 nan 4.420 nan 0.000 0.268 485 P C -0.194 177.159 177.300 0.088 0.000 1.208 485 P CA -0.075 63.065 63.100 0.066 0.000 0.777 485 P CB 0.038 31.770 31.700 0.053 0.000 0.875 486 A N 1.869 124.744 122.820 0.092 0.000 2.545 486 A HA 0.370 4.690 4.320 -0.000 0.000 0.253 486 A C 0.617 178.303 177.584 0.169 0.000 1.074 486 A CA 0.675 52.781 52.037 0.114 0.000 0.760 486 A CB -0.827 18.213 19.000 0.066 0.000 1.005 486 A HN 0.593 nan 8.150 nan 0.000 0.506 487 S N 1.488 117.328 115.700 0.233 0.000 2.565 487 S HA 0.421 4.891 4.470 -0.000 0.000 0.269 487 S C 0.081 174.806 174.600 0.208 0.000 1.153 487 S CA -0.536 57.800 58.200 0.228 0.000 0.835 487 S CB 0.916 64.166 63.200 0.084 0.000 1.122 487 S HN 0.974 nan 8.310 nan 0.000 0.462 488 L N 3.043 124.210 121.223 -0.095 0.000 2.395 488 L HA 0.331 4.671 4.340 -0.000 0.000 0.218 488 L C 1.153 177.909 176.870 -0.189 0.000 1.130 488 L CA 1.885 56.481 54.840 -0.406 0.000 0.826 488 L CB -0.146 41.470 42.059 -0.739 0.000 0.941 488 L HN 0.893 nan 8.230 nan 0.000 0.451 489 T N -1.818 112.665 114.554 -0.119 0.000 3.410 489 T HA 0.460 4.810 4.350 -0.000 0.000 0.328 489 T C -2.419 172.225 174.700 -0.093 0.000 1.567 489 T CA -1.412 60.625 62.100 -0.104 0.000 1.626 489 T CB 0.232 69.051 68.868 -0.081 0.000 0.939 489 T HN -0.006 nan 8.240 nan 0.000 0.656 490 P HA 0.398 nan 4.420 nan 0.000 0.274 490 P C -2.252 175.009 177.300 -0.065 0.000 1.237 490 P CA -1.086 61.922 63.100 -0.154 0.000 0.793 490 P CB 0.127 31.560 31.700 -0.444 0.000 0.977 491 P HA 0.210 nan 4.420 nan 0.000 0.274 491 P C -0.205 177.162 177.300 0.112 0.000 1.246 491 P CA -0.285 62.848 63.100 0.055 0.000 0.795 491 P CB 0.828 32.564 31.700 0.059 0.000 1.006 492 K N -0.069 120.392 120.400 0.101 0.000 2.319 492 K HA 0.079 4.399 4.320 -0.000 0.000 0.265 492 K C 1.358 178.044 176.600 0.143 0.000 1.000 492 K CA -0.419 55.947 56.287 0.132 0.000 0.943 492 K CB 0.174 32.736 32.500 0.103 0.000 0.950 492 K HN 0.419 nan 8.250 nan 0.000 0.485 493 C N 1.492 120.879 119.300 0.146 0.000 2.413 493 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 493 C C 2.445 177.499 174.990 0.107 0.000 1.265 493 C CA 1.090 60.173 59.018 0.109 0.000 1.752 493 C CB -1.110 26.555 27.740 -0.125 0.000 1.998 493 C HN 0.915 nan 8.230 nan 0.000 0.489 494 A N 1.384 124.253 122.820 0.081 0.000 2.125 494 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 494 A C 2.240 179.854 177.584 0.051 0.000 1.156 494 A CA 1.796 53.874 52.037 0.069 0.000 0.671 494 A CB -0.626 18.419 19.000 0.077 0.000 0.794 494 A HN 0.742 nan 8.150 nan 0.000 0.459 495 S N -1.985 113.746 115.700 0.052 0.000 2.474 495 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 495 S C 1.416 176.008 174.600 -0.013 0.000 0.997 495 S CA 1.298 59.512 58.200 0.025 0.000 0.949 495 S CB -0.714 62.507 63.200 0.034 0.000 0.766 495 S HN 0.567 nan 8.310 nan 0.000 0.517 496 C N -0.084 119.191 119.300 -0.041 0.000 3.637 496 C HA 0.446 4.906 4.460 -0.000 0.000 0.439 496 C C 0.456 175.276 174.990 -0.283 0.000 1.443 496 C CA -0.605 58.308 59.018 -0.176 0.000 2.037 496 C CB -0.534 27.052 27.740 -0.257 0.000 2.957 496 C HN 0.568 nan 8.230 nan 0.000 0.669 497 H N 0.305 119.362 119.070 -0.021 0.000 2.492 497 H HA 0.386 4.942 4.556 -0.000 0.000 0.345 497 H C 0.855 176.159 175.328 -0.041 0.000 1.136 497 H CA 0.740 56.763 56.048 -0.041 0.000 1.202 497 H CB 1.150 30.859 29.762 -0.089 0.000 1.524 497 H HN 0.316 nan 8.280 nan 0.000 0.506 498 G N 2.760 111.617 108.800 0.096 0.000 2.396 498 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.288 498 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.288 498 G C 0.992 175.912 174.900 0.034 0.000 0.926 498 G CA 1.286 46.416 45.100 0.050 0.000 1.211 498 G HN 0.695 nan 8.290 nan 0.000 0.496 499 K N -0.290 120.124 120.400 0.023 0.000 2.262 499 K HA 0.138 4.458 4.320 -0.000 0.000 0.200 499 K C 0.057 176.665 176.600 0.012 0.000 1.058 499 K CA 0.316 56.614 56.287 0.019 0.000 0.974 499 K CB -0.107 32.401 32.500 0.013 0.000 0.910 499 K HN 0.556 nan 8.250 nan 0.000 0.484 508 R N 0.080 120.596 120.500 0.026 0.000 2.740 508 R HA 0.719 5.059 4.340 -0.000 0.000 0.273 508 R C -2.544 173.832 176.300 0.127 0.000 0.998 508 R CA -1.585 54.566 56.100 0.085 0.000 0.900 508 R CB 2.164 32.476 30.300 0.020 0.000 1.223 508 R HN 0.239 nan 8.270 nan 0.000 0.466 509 P HA 0.138 nan 4.420 nan 0.000 0.274 509 P C -0.075 177.304 177.300 0.133 0.000 1.237 509 P CA -0.348 62.813 63.100 0.102 0.000 0.793 509 P CB 0.681 32.396 31.700 0.025 0.000 0.977 510 G N 0.616 109.445 108.800 0.049 0.000 2.684 510 G HA2 0.106 4.066 3.960 -0.000 0.000 0.255 510 G HA3 0.106 4.066 3.960 -0.000 0.000 0.255 510 G C 0.783 175.661 174.900 -0.037 0.000 1.219 510 G CA -0.528 44.591 45.100 0.032 0.000 0.901 510 G HN 0.504 nan 8.290 nan 0.000 0.548 511 L N -0.034 121.167 121.223 -0.037 0.000 2.046 511 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 511 L C 2.759 179.539 176.870 -0.150 0.000 1.077 511 L CA 2.289 57.048 54.840 -0.136 0.000 0.747 511 L CB -0.492 41.550 42.059 -0.028 0.000 0.896 511 L HN 0.739 nan 8.230 nan 0.000 0.432 512 K N -0.775 119.593 120.400 -0.052 0.000 2.057 512 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 512 K C 1.951 178.458 176.600 -0.155 0.000 1.049 512 K CA 1.380 57.616 56.287 -0.086 0.000 0.931 512 K CB -0.210 32.207 32.500 -0.138 0.000 0.714 512 K HN 0.400 nan 8.250 nan 0.000 0.440 513 A N 1.149 123.902 122.820 -0.111 0.000 1.902 513 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 513 A C 2.338 179.864 177.584 -0.097 0.000 1.181 513 A CA 1.832 53.831 52.037 -0.063 0.000 0.623 513 A CB -0.762 18.220 19.000 -0.031 0.000 0.818 513 A HN 0.505 nan 8.150 nan 0.000 0.443 514 A N -1.141 121.538 122.820 -0.235 0.000 1.883 514 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 514 A C 2.124 179.516 177.584 -0.321 0.000 1.186 514 A CA 1.615 53.402 52.037 -0.416 0.000 0.624 514 A CB -0.910 17.580 19.000 -0.850 0.000 0.822 514 A HN 0.638 nan 8.150 nan 0.000 0.444 515 Y N -1.096 119.090 120.300 -0.191 0.000 2.114 515 Y HA -0.257 4.293 4.550 0.000 0.000 0.284 515 Y C 2.613 178.472 175.900 -0.069 0.000 1.143 515 Y CA 1.845 59.844 58.100 -0.169 0.000 1.135 515 Y CB -0.477 37.894 38.460 -0.149 0.000 0.980 515 Y HN 0.464 nan 8.280 nan 0.000 0.499 516 H N -0.752 118.335 119.070 0.028 0.000 2.353 516 H HA -0.244 4.312 4.556 -0.000 0.000 0.300 516 H C 2.296 177.583 175.328 -0.068 0.000 1.090 516 H CA 1.251 57.285 56.048 -0.023 0.000 1.327 516 H CB 0.006 29.767 29.762 -0.002 0.000 1.383 516 H HN 0.395 nan 8.280 nan 0.000 0.508 517 Q N 0.775 120.614 119.800 0.065 0.000 2.124 517 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 517 Q C 2.361 178.328 176.000 -0.055 0.000 0.977 517 Q CA 1.567 57.377 55.803 0.011 0.000 0.850 517 Q CB 0.128 28.883 28.738 0.028 0.000 0.901 517 Q HN 0.493 nan 8.270 nan 0.000 0.429 518 Q N -0.725 118.992 119.800 -0.139 0.000 2.049 518 Q HA -0.140 4.200 4.340 -0.000 0.000 0.198 518 Q C 2.196 177.997 176.000 -0.330 0.000 0.971 518 Q CA 1.670 57.274 55.803 -0.331 0.000 0.833 518 Q CB -0.023 28.407 28.738 -0.514 0.000 0.896 518 Q HN 0.535 nan 8.270 nan 0.000 0.434 519 C N 0.448 119.579 119.300 -0.282 0.000 2.455 519 C HA -0.118 4.342 4.460 -0.000 0.000 0.281 519 C C 2.702 177.397 174.990 -0.493 0.000 1.237 519 C CA 0.834 59.613 59.018 -0.397 0.000 1.726 519 C CB -1.042 26.524 27.740 -0.289 0.000 2.068 519 C HN 0.609 nan 8.230 nan 0.000 0.466 520 M N 1.180 120.610 119.600 -0.283 0.000 2.159 520 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 520 M C 2.397 178.621 176.300 -0.126 0.000 1.063 520 M CA 1.984 57.169 55.300 -0.191 0.000 1.110 520 M CB -0.917 31.600 32.600 -0.138 0.000 1.374 520 M HN 0.656 nan 8.290 nan 0.000 0.411 521 G N -0.250 108.480 108.800 -0.117 0.000 2.421 521 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 521 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 521 G C 1.710 176.584 174.900 -0.043 0.000 1.171 521 G CA 1.037 46.107 45.100 -0.050 0.000 0.775 521 G HN 0.554 nan 8.290 nan 0.000 0.543 522 C N 0.298 119.531 119.300 -0.112 0.000 2.429 522 C HA -0.029 4.431 4.460 -0.000 0.000 0.277 522 C C 2.565 177.583 174.990 0.047 0.000 1.262 522 C CA 1.482 60.466 59.018 -0.056 0.000 1.733 522 C CB -1.406 26.262 27.740 -0.120 0.000 2.010 522 C HN 0.637 nan 8.230 nan 0.000 0.483 523 H N -0.218 118.834 119.070 -0.030 0.000 2.387 523 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 523 H C 1.836 177.154 175.328 -0.017 0.000 1.099 523 H CA 1.646 57.679 56.048 -0.024 0.000 1.315 523 H CB -0.044 29.697 29.762 -0.035 0.000 1.380 523 H HN 0.506 nan 8.280 nan 0.000 0.513 524 D N 0.326 120.789 120.400 0.105 0.000 2.117 524 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 524 D C 2.154 178.483 176.300 0.049 0.000 0.987 524 D CA 0.951 54.985 54.000 0.057 0.000 0.829 524 D CB -0.101 40.719 40.800 0.033 0.000 0.961 524 D HN 0.312 nan 8.370 nan 0.000 0.460 525 R N -0.364 120.167 120.500 0.051 0.000 2.148 525 R HA 0.122 4.462 4.340 -0.000 0.000 0.223 525 R C 1.966 178.296 176.300 0.051 0.000 1.088 525 R CA 0.627 56.757 56.100 0.050 0.000 0.985 525 R CB -0.007 30.328 30.300 0.058 0.000 0.880 525 R HN 0.246 nan 8.270 nan 0.000 0.451 526 M N 0.459 120.095 119.600 0.060 0.000 2.495 526 M HA 0.102 4.582 4.480 -0.000 0.000 0.237 526 M C -0.174 176.146 176.300 0.033 0.000 1.131 526 M CA 0.291 55.622 55.300 0.052 0.000 1.032 526 M CB 0.643 33.283 32.600 0.066 0.000 1.513 526 M HN -0.135 nan 8.290 nan 0.000 0.488 527 K N 0.552 120.971 120.400 0.032 0.000 3.129 527 K HA -0.133 4.187 4.320 -0.000 0.000 0.273 527 K C -0.553 176.042 176.600 -0.008 0.000 1.123 527 K CA 0.488 56.783 56.287 0.013 0.000 0.800 527 K CB -2.354 30.151 32.500 0.007 0.000 1.238 527 K HN 0.328 nan 8.250 nan 0.000 0.492 528 I N 1.526 122.087 120.570 -0.015 0.000 2.587 528 I HA -0.036 4.134 4.170 -0.000 0.000 0.284 528 I C 1.928 177.982 176.117 -0.106 0.000 1.134 528 I CA 0.548 61.791 61.300 -0.094 0.000 1.410 528 I CB 0.988 38.852 38.000 -0.226 0.000 1.392 528 I HN 0.142 nan 8.210 nan 0.000 0.545 529 E N 5.855 125.997 120.200 -0.098 0.000 2.042 529 E HA 0.047 4.397 4.350 -0.000 0.000 0.189 529 E C 0.131 176.670 176.600 -0.101 0.000 0.974 529 E CA 1.350 57.704 56.400 -0.077 0.000 0.806 529 E CB 0.393 30.060 29.700 -0.055 0.000 0.769 529 E HN 0.433 nan 8.360 nan 0.000 0.451 530 K N 1.464 121.788 120.400 -0.126 0.000 2.244 530 K HA 0.331 4.651 4.320 -0.000 0.000 0.260 530 K C -2.386 174.088 176.600 -0.210 0.000 0.951 530 K CA -1.994 54.215 56.287 -0.130 0.000 0.826 530 K CB 1.676 34.122 32.500 -0.089 0.000 1.108 530 K HN 0.105 nan 8.250 nan 0.000 0.433 531 P HA 0.161 nan 4.420 nan 0.000 0.276 531 P C -1.000 176.244 177.300 -0.093 0.000 1.244 531 P CA -0.560 62.473 63.100 -0.111 0.000 0.801 531 P CB 0.882 32.539 31.700 -0.072 0.000 1.006 532 A N 1.885 124.668 122.820 -0.061 0.000 2.340 532 A HA 0.179 4.499 4.320 -0.000 0.000 0.268 532 A C 1.252 178.813 177.584 -0.038 0.000 1.100 532 A CA -0.537 51.475 52.037 -0.042 0.000 0.803 532 A CB -0.236 18.742 19.000 -0.037 0.000 1.043 532 A HN 0.529 nan 8.150 nan 0.000 0.488 533 N N 0.780 119.463 118.700 -0.028 0.000 2.364 533 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 533 N C 1.673 177.131 175.510 -0.086 0.000 1.022 533 N CA 1.900 54.913 53.050 -0.061 0.000 0.883 533 N CB -0.232 38.224 38.487 -0.053 0.000 0.965 533 N HN 0.848 nan 8.380 nan 0.000 0.438 534 T N -2.691 111.831 114.554 -0.055 0.000 3.088 534 T HA 0.263 4.613 4.350 -0.000 0.000 0.259 534 T C 0.910 175.585 174.700 -0.041 0.000 1.122 534 T CA -0.045 62.030 62.100 -0.042 0.000 1.095 534 T CB 0.005 68.860 68.868 -0.022 0.000 0.930 534 T HN 0.118 nan 8.240 nan 0.000 0.508 535 A N 0.778 123.564 122.820 -0.056 0.000 2.915 535 A HA 0.442 4.762 4.320 -0.000 0.000 0.292 535 A C 1.374 178.904 177.584 -0.091 0.000 1.632 535 A CA -0.670 51.336 52.037 -0.053 0.000 1.337 535 A CB -1.298 17.670 19.000 -0.054 0.000 1.111 535 A HN 0.627 nan 8.150 nan 0.000 0.569 536 C N 1.083 120.351 119.300 -0.054 0.000 2.485 536 C HA 0.043 4.503 4.460 -0.000 0.000 0.283 536 C C 2.025 176.940 174.990 -0.124 0.000 1.478 536 C CA 0.996 59.958 59.018 -0.093 0.000 1.741 536 C CB -1.828 25.939 27.740 0.045 0.000 1.675 536 C HN 0.859 nan 8.230 nan 0.000 0.573 537 V N -3.827 116.059 119.914 -0.046 0.000 3.548 537 V HA 0.243 4.363 4.120 -0.000 0.000 0.279 537 V C 1.102 177.163 176.094 -0.055 0.000 1.446 537 V CA 0.777 63.095 62.300 0.030 0.000 1.023 537 V CB -0.425 31.477 31.823 0.132 0.000 0.820 537 V HN 0.130 nan 8.190 nan 0.000 0.438 538 D N 0.283 120.618 120.400 -0.109 0.000 2.348 538 D HA 0.016 4.656 4.640 -0.000 0.000 0.216 538 D C 1.695 177.921 176.300 -0.123 0.000 0.970 538 D CA 1.385 55.332 54.000 -0.088 0.000 0.889 538 D CB 0.050 40.806 40.800 -0.074 0.000 0.912 538 D HN 0.582 nan 8.370 nan 0.000 0.524 539 C N -0.566 118.569 119.300 -0.275 0.000 2.820 539 C HA 0.185 4.645 4.460 -0.000 0.000 0.323 539 C C -0.062 174.785 174.990 -0.238 0.000 1.279 539 C CA -0.138 58.712 59.018 -0.279 0.000 1.790 539 C CB -0.620 26.888 27.740 -0.388 0.000 2.328 539 C HN 0.376 nan 8.230 nan 0.000 0.579 540 H N -1.121 117.920 119.070 -0.048 0.000 3.181 540 H HA 0.485 5.041 4.556 -0.000 0.000 0.331 540 H C -0.896 174.499 175.328 0.111 0.000 0.988 540 H CA -0.695 55.355 56.048 0.004 0.000 1.449 540 H CB -0.116 29.626 29.762 -0.033 0.000 1.749 540 H HN 0.005 nan 8.280 nan 0.000 0.501 541 K N 1.293 121.843 120.400 0.250 0.000 2.286 541 K HA 0.062 4.382 4.320 -0.000 0.000 0.256 541 K C 0.351 177.131 176.600 0.300 0.000 0.999 541 K CA -0.353 56.068 56.287 0.223 0.000 0.908 541 K CB 0.724 33.299 32.500 0.125 0.000 0.981 541 K HN 0.638 nan 8.250 nan 0.000 0.500 542 E N 1.114 121.442 120.200 0.213 0.000 2.436 542 E HA -0.109 4.241 4.350 -0.000 0.000 0.262 542 E C 0.845 177.452 176.600 0.012 0.000 1.063 542 E CA 0.207 56.673 56.400 0.110 0.000 0.944 542 E CB 0.686 30.421 29.700 0.059 0.000 0.950 542 E HN 0.397 nan 8.360 nan 0.000 0.444 543 R N 3.315 123.744 120.500 -0.119 0.000 2.148 543 R HA -0.185 4.155 4.340 -0.000 0.000 0.230 543 R C 0.945 177.218 176.300 -0.044 0.000 1.120 543 R CA 2.933 58.969 56.100 -0.107 0.000 0.902 543 R CB -0.746 29.454 30.300 -0.166 0.000 0.839 543 R HN 0.575 nan 8.270 nan 0.000 0.431 544 A N -2.537 120.257 122.820 -0.043 0.000 1.791 544 A HA 0.351 4.671 4.320 -0.000 0.000 0.177 544 A C -0.442 177.134 177.584 -0.014 0.000 1.851 544 A CA 0.369 52.393 52.037 -0.022 0.000 1.130 544 A CB 0.106 19.091 19.000 -0.024 0.000 0.958 544 A HN 0.286 nan 8.150 nan 0.000 0.637 545 K N 0.000 120.388 120.400 -0.020 0.000 2.780 545 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 545 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 545 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 545 K HN 0.000 nan 8.250 nan 0.000 0.543