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 1i19_1_A DATA FIRST_RESID 57 DATA SEQUENCE VAPLPTPPNF PNDIALFQQA YQNWSKEIML DATWVCSPKT PQDVVRLANW DATA SEQUENCE AHEHDYKIRP RGAMHGWTPL TVEKGANVEK VILADTMTHL NGITVNTGGP DATA SEQUENCE VATVTAGAGA SIEAIVTELQ KHDLGWANLP APGVLSIGGA LAVNAHGAAL DATA SEQUENCE PAVGQTTLPG HTYGSLSNLV TELTAVVWNG TTYALETYQR NDPRITPLLT DATA SEQUENCE NLGRCFLTSV TMQAGPNFRQ RCQSYTDIPW RELFAPKGAD GRTFEKFVAE DATA SEQUENCE SGGAEAIWYP FTEKPWMKVW TVSPXXXXXX XXXXXXXXXX SLVGKPPQAR DATA SEQUENCE EVSGPYNYIF SDNLPEPITD MIGAINAGNP GIAPLFGPAM YEITKLGLAA DATA SEQUENCE TNANDIWGWS KDVQFYIKAT TLRLTEGGGA VVTSRANIAT VINDFTEWFH DATA SEQUENCE ERIEFYRAKG EFPLNGPVEI RCCGLDQAAD VKVPSVGPPT ISATRPRPDH DATA SEQUENCE PDWDVAIWLN VLGVPGTPGM FEFYREMEQW MRSHYNNDDA TFRPEWSKGW DATA SEQUENCE AFGPDPYTDN DIVTNKMRAT YIEGVPTTEN WDTARARYNQ IDPHRVFTNG DATA SEQUENCE FMDKLLP 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 57 V HA 0.000 nan 4.120 nan 0.000 0.244 57 V C 0.000 176.068 176.094 -0.044 0.000 1.182 57 V CA 0.000 62.276 62.300 -0.039 0.000 1.235 57 V CB 0.000 31.791 31.823 -0.053 0.000 1.184 58 A N 5.768 128.563 122.820 -0.041 0.000 2.511 58 A HA 0.604 4.924 4.320 -0.001 0.000 0.242 58 A C -1.815 175.733 177.584 -0.060 0.000 1.069 58 A CA -0.570 51.446 52.037 -0.036 0.000 0.763 58 A CB -0.151 18.834 19.000 -0.025 0.000 1.001 58 A HN 0.619 nan 8.150 nan 0.000 0.498 59 P HA 0.219 nan 4.420 nan 0.000 0.271 59 P C -0.468 176.798 177.300 -0.057 0.000 1.216 59 P CA -0.021 63.039 63.100 -0.066 0.000 0.771 59 P CB 0.572 32.271 31.700 -0.002 0.000 0.864 60 L N 4.760 125.884 121.223 -0.165 0.000 2.452 60 L HA 0.231 4.571 4.340 -0.001 0.000 0.267 60 L C -1.742 175.273 176.870 0.243 0.000 1.188 60 L CA -1.921 52.876 54.840 -0.072 0.000 0.821 60 L CB -0.505 41.291 42.059 -0.438 0.000 1.102 60 L HN 0.244 nan 8.230 nan 0.000 0.470 61 P HA 0.000 nan 4.420 nan 0.000 0.265 61 P C -0.699 176.852 177.300 0.418 0.000 1.193 61 P CA 0.006 63.280 63.100 0.290 0.000 0.765 61 P CB 0.323 32.161 31.700 0.230 0.000 0.823 62 T N 5.853 120.561 114.554 0.256 0.000 2.853 62 T HA 0.162 4.511 4.350 -0.001 0.000 0.298 62 T C -2.010 172.689 174.700 -0.002 0.000 0.978 62 T CA -0.665 61.483 62.100 0.079 0.000 1.152 62 T CB -0.457 68.423 68.868 0.019 0.000 0.914 62 T HN 0.284 nan 8.240 nan 0.000 0.539 63 P HA 0.156 nan 4.420 nan 0.000 0.268 63 P C -2.288 175.003 177.300 -0.015 0.000 1.204 63 P CA -1.164 61.861 63.100 -0.125 0.000 0.768 63 P CB -0.142 31.215 31.700 -0.573 0.000 0.842 64 P HA -0.030 nan 4.420 nan 0.000 0.271 64 P C -0.316 177.039 177.300 0.091 0.000 1.226 64 P CA 0.127 63.282 63.100 0.092 0.000 0.765 64 P CB 0.285 32.071 31.700 0.143 0.000 0.835 65 N N 0.827 119.572 118.700 0.074 0.000 2.699 65 N HA -0.234 4.505 4.740 -0.001 0.000 0.256 65 N C -0.257 175.269 175.510 0.027 0.000 0.993 65 N CA 0.763 53.858 53.050 0.075 0.000 0.759 65 N CB -1.571 37.005 38.487 0.147 0.000 0.906 65 N HN 0.481 nan 8.380 nan 0.000 0.541 66 F N 1.444 121.174 119.950 -0.366 0.000 2.471 66 F HA 0.219 4.745 4.527 -0.001 0.000 0.353 66 F C -1.357 174.103 175.800 -0.566 0.000 1.113 66 F CA -1.732 55.743 58.000 -0.874 0.000 1.262 66 F CB 0.430 38.868 39.000 -0.937 0.000 1.146 66 F HN -0.011 nan 8.300 nan 0.000 0.578 67 P HA -0.061 nan 4.420 nan 0.000 0.256 67 P C 0.063 177.164 177.300 -0.331 0.000 1.173 67 P CA 0.460 63.193 63.100 -0.613 0.000 0.768 67 P CB 0.347 31.603 31.700 -0.739 0.000 0.758 68 N N 2.605 121.192 118.700 -0.189 0.000 2.272 68 N HA -0.147 4.593 4.740 -0.001 0.000 0.185 68 N C 0.944 176.399 175.510 -0.092 0.000 1.014 68 N CA 1.267 54.250 53.050 -0.111 0.000 0.870 68 N CB -0.196 38.241 38.487 -0.083 0.000 0.975 68 N HN 0.584 nan 8.380 nan 0.000 0.433 69 D N -0.171 120.166 120.400 -0.105 0.000 2.339 69 D HA 0.010 4.649 4.640 -0.001 0.000 0.217 69 D C 0.315 176.581 176.300 -0.057 0.000 1.050 69 D CA -0.047 53.909 54.000 -0.073 0.000 0.856 69 D CB 0.117 40.874 40.800 -0.071 0.000 0.922 69 D HN 0.193 nan 8.370 nan 0.000 0.518 70 I N 1.536 122.065 120.570 -0.069 0.000 2.371 70 I HA 0.334 4.503 4.170 -0.001 0.000 0.282 70 I C 0.257 176.424 176.117 0.084 0.000 1.031 70 I CA -0.946 60.359 61.300 0.008 0.000 1.180 70 I CB 1.461 39.420 38.000 -0.068 0.000 1.336 70 I HN -0.086 nan 8.210 nan 0.000 0.467 71 A N 7.754 130.598 122.820 0.041 0.000 2.511 71 A HA 0.428 4.747 4.320 -0.001 0.000 0.242 71 A C -0.350 177.092 177.584 -0.236 0.000 1.069 71 A CA 0.249 52.203 52.037 -0.139 0.000 0.763 71 A CB 0.246 19.195 19.000 -0.085 0.000 1.001 71 A HN 0.723 nan 8.150 nan 0.000 0.498 72 L N 2.075 122.974 121.223 -0.540 0.000 2.329 72 L HA 0.655 4.994 4.340 -0.001 0.000 0.279 72 L C -1.243 175.314 176.870 -0.522 0.000 1.014 72 L CA -0.357 54.204 54.840 -0.465 0.000 0.814 72 L CB 1.494 43.083 42.059 -0.784 0.000 1.257 72 L HN 0.714 nan 8.230 nan 0.000 0.424 73 F N 1.009 121.079 119.950 0.200 0.000 2.556 73 F HA 0.358 4.884 4.527 -0.001 0.000 0.314 73 F C 0.036 175.977 175.800 0.235 0.000 1.106 73 F CA -0.647 57.480 58.000 0.212 0.000 0.911 73 F CB 1.823 40.887 39.000 0.106 0.000 1.190 73 F HN 0.342 nan 8.300 nan 0.000 0.448 74 Q N 3.601 123.535 119.800 0.223 0.000 2.322 74 Q HA 0.433 4.773 4.340 -0.001 0.000 0.256 74 Q C -1.225 174.756 176.000 -0.031 0.000 0.960 74 Q CA -0.319 55.392 55.803 -0.152 0.000 0.934 74 Q CB 0.860 29.308 28.738 -0.482 0.000 1.200 74 Q HN 0.746 nan 8.270 nan 0.000 0.435 75 Q N 1.564 121.355 119.800 -0.015 0.000 2.451 75 Q HA 0.706 5.045 4.340 -0.001 0.000 0.281 75 Q C -1.183 174.813 176.000 -0.006 0.000 1.099 75 Q CA -0.990 54.815 55.803 0.004 0.000 0.806 75 Q CB 1.961 30.723 28.738 0.040 0.000 1.419 75 Q HN 0.739 nan 8.270 nan 0.000 0.427 76 A N 0.798 123.612 122.820 -0.010 0.000 2.313 76 A HA 0.452 4.772 4.320 -0.001 0.000 0.261 76 A C -1.476 176.140 177.584 0.054 0.000 1.090 76 A CA 0.036 52.077 52.037 0.006 0.000 0.807 76 A CB 0.342 19.328 19.000 -0.023 0.000 1.055 76 A HN 0.657 nan 8.150 nan 0.000 0.492 77 Y N -0.230 120.047 120.300 -0.038 0.000 2.391 77 Y HA 0.565 5.114 4.550 -0.001 0.000 0.341 77 Y C -0.342 175.536 175.900 -0.035 0.000 0.965 77 Y CA -0.378 57.705 58.100 -0.029 0.000 1.067 77 Y CB 1.643 40.094 38.460 -0.016 0.000 1.199 77 Y HN 0.762 nan 8.280 nan 0.000 0.450 78 Q N 5.618 125.023 119.800 -0.659 0.000 2.280 78 Q HA 0.285 4.625 4.340 -0.001 0.000 0.259 78 Q C -1.532 174.133 176.000 -0.559 0.000 0.964 78 Q CA -0.965 54.607 55.803 -0.386 0.000 0.844 78 Q CB 1.184 29.780 28.738 -0.236 0.000 1.334 78 Q HN 0.885 nan 8.270 nan 0.000 0.423 79 N N 1.750 120.276 118.700 -0.290 0.000 2.408 79 N HA 0.018 4.757 4.740 -0.001 0.000 0.260 79 N C 0.530 175.908 175.510 -0.219 0.000 1.242 79 N CA -0.370 52.552 53.050 -0.213 0.000 0.959 79 N CB 0.264 38.758 38.487 0.010 0.000 1.201 79 N HN 0.834 nan 8.380 nan 0.000 0.511 80 W N 1.302 122.322 121.300 -0.467 0.000 2.302 80 W HA -0.240 4.419 4.660 -0.001 0.000 0.320 80 W C 2.259 178.601 176.519 -0.294 0.000 1.241 80 W CA 3.376 60.407 57.345 -0.524 0.000 1.264 80 W CB -0.805 28.103 29.460 -0.920 0.000 1.154 80 W HN 0.705 nan 8.180 nan 0.000 0.483 81 S N 0.049 115.559 115.700 -0.317 0.000 2.507 81 S HA -0.087 4.383 4.470 -0.001 0.000 0.235 81 S C 1.098 175.578 174.600 -0.200 0.000 0.988 81 S CA 1.254 59.276 58.200 -0.296 0.000 0.944 81 S CB -0.483 62.860 63.200 0.239 0.000 0.762 81 S HN 0.468 nan 8.310 nan 0.000 0.526 82 K N -0.228 120.066 120.400 -0.176 0.000 3.407 82 K HA -0.219 4.101 4.320 -0.001 0.000 0.312 82 K C 0.563 177.160 176.600 -0.007 0.000 1.302 82 K CA 1.258 57.477 56.287 -0.112 0.000 0.931 82 K CB -1.702 30.706 32.500 -0.154 0.000 1.257 82 K HN 0.603 nan 8.250 nan 0.000 0.454 83 E N 0.264 120.507 120.200 0.072 0.000 2.285 83 E HA 0.022 4.371 4.350 -0.001 0.000 0.194 83 E C 0.370 177.047 176.600 0.128 0.000 0.997 83 E CA 0.600 57.086 56.400 0.144 0.000 0.845 83 E CB 0.197 30.058 29.700 0.269 0.000 0.782 83 E HN 0.350 nan 8.360 nan 0.000 0.491 84 I N 1.815 122.457 120.570 0.119 0.000 2.359 84 I HA 0.269 4.439 4.170 -0.001 0.000 0.284 84 I C -0.618 175.582 176.117 0.138 0.000 1.018 84 I CA -0.109 61.272 61.300 0.136 0.000 1.173 84 I CB 0.919 39.030 38.000 0.185 0.000 1.326 84 I HN -0.136 nan 8.210 nan 0.000 0.462 85 M N 7.444 127.105 119.600 0.102 0.000 2.204 85 M HA 0.489 4.968 4.480 -0.001 0.000 0.293 85 M C -1.527 174.820 176.300 0.078 0.000 0.994 85 M CA -0.633 54.715 55.300 0.080 0.000 0.925 85 M CB 2.576 35.189 32.600 0.022 0.000 1.577 85 M HN 0.279 nan 8.290 nan 0.000 0.439 86 L N 2.639 123.924 121.223 0.103 0.000 2.362 86 L HA 0.365 4.705 4.340 -0.001 0.000 0.275 86 L C 0.615 177.506 176.870 0.034 0.000 0.998 86 L CA -0.242 54.634 54.840 0.060 0.000 0.820 86 L CB 1.691 43.786 42.059 0.060 0.000 1.270 86 L HN 0.671 nan 8.230 nan 0.000 0.415 87 D N 1.041 121.440 120.400 -0.001 0.000 2.264 87 D HA 0.116 4.755 4.640 -0.001 0.000 0.208 87 D C 0.316 176.587 176.300 -0.047 0.000 0.966 87 D CA 1.002 54.989 54.000 -0.023 0.000 0.864 87 D CB 0.297 41.079 40.800 -0.031 0.000 0.933 87 D HN 0.448 nan 8.370 nan 0.000 0.499 88 A N -0.425 122.358 122.820 -0.062 0.000 2.459 88 A HA 0.674 4.993 4.320 -0.001 0.000 0.296 88 A C -0.600 176.900 177.584 -0.141 0.000 1.039 88 A CA -0.417 51.542 52.037 -0.131 0.000 0.698 88 A CB 1.473 20.356 19.000 -0.196 0.000 1.261 88 A HN 0.271 nan 8.150 nan 0.000 0.405 89 T N -1.687 112.772 114.554 -0.159 0.000 2.894 89 T HA 0.649 4.998 4.350 -0.001 0.000 0.309 89 T C -1.053 173.578 174.700 -0.115 0.000 1.208 89 T CA -0.511 61.531 62.100 -0.097 0.000 1.016 89 T CB 0.808 69.699 68.868 0.040 0.000 1.192 89 T HN 0.638 nan 8.240 nan 0.000 0.491 90 W N 1.454 122.788 121.300 0.057 0.000 2.351 90 W HA 0.622 5.281 4.660 -0.001 0.000 0.311 90 W C -0.620 175.937 176.519 0.063 0.000 1.168 90 W CA -0.559 56.803 57.345 0.028 0.000 1.200 90 W CB 1.532 30.985 29.460 -0.012 0.000 1.221 90 W HN 0.567 nan 8.180 nan 0.000 0.519 91 V N 4.092 124.245 119.914 0.398 0.000 2.789 91 V HA 0.550 4.669 4.120 -0.001 0.000 0.311 91 V C -0.107 176.191 176.094 0.341 0.000 1.073 91 V CA -0.992 61.493 62.300 0.310 0.000 0.921 91 V CB 1.353 33.327 31.823 0.251 0.000 1.009 91 V HN 0.746 nan 8.190 nan 0.000 0.426 92 C N 1.002 120.477 119.300 0.291 0.000 3.171 92 C HA 0.886 5.345 4.460 -0.001 0.000 0.308 92 C C -0.194 174.952 174.990 0.260 0.000 1.334 92 C CA -0.618 58.588 59.018 0.314 0.000 1.473 92 C CB 1.616 29.516 27.740 0.266 0.000 1.866 92 C HN 0.738 nan 8.230 nan 0.000 0.465 93 S N 2.994 118.853 115.700 0.265 0.000 2.532 93 S HA 0.474 4.943 4.470 -0.001 0.000 0.256 93 S C -2.641 172.132 174.600 0.289 0.000 1.298 93 S CA -0.400 57.932 58.200 0.221 0.000 1.166 93 S CB 0.614 63.889 63.200 0.125 0.000 1.022 93 S HN 0.823 nan 8.310 nan 0.000 0.480 94 P HA 0.092 nan 4.420 nan 0.000 0.263 94 P C 0.141 177.561 177.300 0.200 0.000 1.195 94 P CA -0.064 63.134 63.100 0.164 0.000 0.762 94 P CB 0.844 32.608 31.700 0.107 0.000 0.799 95 K N 1.025 121.467 120.400 0.069 0.000 2.228 95 K HA 0.014 4.333 4.320 -0.001 0.000 0.202 95 K C 1.179 177.760 176.600 -0.031 0.000 1.051 95 K CA 1.121 57.339 56.287 -0.115 0.000 0.960 95 K CB 0.006 32.340 32.500 -0.277 0.000 0.743 95 K HN 0.664 nan 8.250 nan 0.000 0.458 96 T N -3.962 110.591 114.554 -0.001 0.000 2.864 96 T HA 0.253 4.602 4.350 -0.001 0.000 0.299 96 T C -2.610 172.097 174.700 0.011 0.000 1.166 96 T CA -1.923 60.180 62.100 0.006 0.000 1.007 96 T CB 1.999 70.856 68.868 -0.018 0.000 1.219 96 T HN -0.344 nan 8.240 nan 0.000 0.506 97 P HA -0.093 nan 4.420 nan 0.000 0.216 97 P C 1.580 178.865 177.300 -0.025 0.000 1.150 97 P CA 0.967 64.069 63.100 0.003 0.000 0.837 97 P CB 0.125 31.837 31.700 0.020 0.000 0.786 98 Q N 0.015 119.805 119.800 -0.018 0.000 2.226 98 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 98 Q C 1.487 177.466 176.000 -0.036 0.000 0.975 98 Q CA 1.621 57.410 55.803 -0.022 0.000 0.866 98 Q CB -1.098 27.627 28.738 -0.020 0.000 0.915 98 Q HN 0.211 nan 8.270 nan 0.000 0.440 99 D N -1.144 119.231 120.400 -0.042 0.000 2.224 99 D HA -0.081 4.559 4.640 -0.001 0.000 0.205 99 D C 1.631 177.886 176.300 -0.074 0.000 0.965 99 D CA 0.880 54.847 54.000 -0.055 0.000 0.852 99 D CB 0.264 41.041 40.800 -0.038 0.000 0.947 99 D HN 0.179 nan 8.370 nan 0.000 0.494 100 V N 0.713 120.564 119.914 -0.106 0.000 2.453 100 V HA -0.159 3.961 4.120 -0.001 0.000 0.247 100 V C 2.656 178.662 176.094 -0.146 0.000 1.048 100 V CA 0.757 62.923 62.300 -0.223 0.000 1.049 100 V CB -0.278 31.256 31.823 -0.482 0.000 0.672 100 V HN 0.038 nan 8.190 nan 0.000 0.457 101 V N 0.266 120.139 119.914 -0.068 0.000 2.295 101 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 101 V C 2.617 178.733 176.094 0.037 0.000 1.049 101 V CA 2.114 64.427 62.300 0.021 0.000 1.024 101 V CB -0.776 31.073 31.823 0.044 0.000 0.648 101 V HN 0.488 nan 8.190 nan 0.000 0.447 102 R N -0.337 120.160 120.500 -0.004 0.000 2.105 102 R HA -0.119 4.220 4.340 -0.001 0.000 0.239 102 R C 2.280 178.582 176.300 0.003 0.000 1.135 102 R CA 1.392 57.487 56.100 -0.009 0.000 0.967 102 R CB -0.460 29.796 30.300 -0.073 0.000 0.861 102 R HN 0.414 nan 8.270 nan 0.000 0.442 103 L N 0.096 121.301 121.223 -0.031 0.000 2.056 103 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 103 L C 2.701 179.655 176.870 0.139 0.000 1.078 103 L CA 1.197 56.051 54.840 0.023 0.000 0.749 103 L CB -0.568 41.505 42.059 0.023 0.000 0.901 103 L HN 0.261 nan 8.230 nan 0.000 0.433 104 A N 0.140 122.981 122.820 0.035 0.000 1.902 104 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 104 A C 2.066 179.635 177.584 -0.024 0.000 1.181 104 A CA 1.864 53.821 52.037 -0.134 0.000 0.623 104 A CB -0.548 18.259 19.000 -0.322 0.000 0.818 104 A HN 0.433 nan 8.150 nan 0.000 0.443 105 N N -1.529 117.271 118.700 0.167 0.000 2.188 105 N HA -0.173 4.567 4.740 -0.001 0.000 0.184 105 N C 1.506 177.150 175.510 0.223 0.000 1.018 105 N CA 1.504 54.737 53.050 0.305 0.000 0.858 105 N CB -0.507 38.142 38.487 0.269 0.000 0.989 105 N HN 0.802 nan 8.380 nan 0.000 0.426 106 W N 2.198 123.521 121.300 0.038 0.000 2.358 106 W HA -0.055 4.605 4.660 -0.000 0.000 0.303 106 W C 2.334 178.939 176.519 0.143 0.000 1.208 106 W CA 2.112 59.483 57.345 0.044 0.000 1.274 106 W CB -0.365 28.992 29.460 -0.172 0.000 1.138 106 W HN 0.054 nan 8.180 nan 0.000 0.515 107 A N -0.432 122.488 122.820 0.167 0.000 1.883 107 A HA -0.316 4.004 4.320 -0.001 0.000 0.217 107 A C 2.067 179.624 177.584 -0.046 0.000 1.186 107 A CA 2.026 54.072 52.037 0.017 0.000 0.624 107 A CB -1.677 17.448 19.000 0.209 0.000 0.822 107 A HN 0.695 nan 8.150 nan 0.000 0.444 108 H N -0.706 118.309 119.070 -0.092 0.000 2.319 108 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 108 H C 1.595 176.801 175.328 -0.203 0.000 1.092 108 H CA 1.406 57.392 56.048 -0.102 0.000 1.302 108 H CB 0.072 29.863 29.762 0.047 0.000 1.373 108 H HN 0.377 nan 8.280 nan 0.000 0.497 109 E N 0.295 120.261 120.200 -0.390 0.000 2.338 109 E HA -0.113 4.236 4.350 -0.001 0.000 0.197 109 E C 0.658 176.777 176.600 -0.802 0.000 1.007 109 E CA 0.933 56.951 56.400 -0.635 0.000 0.849 109 E CB -0.091 29.266 29.700 -0.572 0.000 0.774 109 E HN 0.758 nan 8.360 nan 0.000 0.506 110 H N -0.357 118.411 119.070 -0.504 0.000 2.662 110 H HA 0.143 4.698 4.556 -0.000 0.000 0.268 110 H C -0.553 174.718 175.328 -0.095 0.000 1.152 110 H CA -0.357 55.448 56.048 -0.406 0.000 1.072 110 H CB 0.527 29.784 29.762 -0.842 0.000 1.660 110 H HN -0.112 nan 8.280 nan 0.000 0.584 111 D N 0.095 120.483 120.400 -0.021 0.000 2.723 111 D HA -0.252 4.387 4.640 -0.001 0.000 0.236 111 D C -0.784 175.580 176.300 0.108 0.000 1.138 111 D CA 0.940 54.964 54.000 0.039 0.000 0.676 111 D CB -1.467 39.335 40.800 0.003 0.000 1.069 111 D HN 0.415 nan 8.370 nan 0.000 0.430 112 Y N -0.251 120.006 120.300 -0.070 0.000 2.534 112 Y HA 0.494 5.043 4.550 -0.002 0.000 0.329 112 Y C 1.205 177.139 175.900 0.057 0.000 1.154 112 Y CA -0.414 57.706 58.100 0.033 0.000 1.192 112 Y CB 1.027 39.553 38.460 0.110 0.000 1.275 112 Y HN -0.339 nan 8.280 nan 0.000 0.491 113 K N 2.011 122.555 120.400 0.240 0.000 2.221 113 K HA 0.551 4.870 4.320 -0.001 0.000 0.243 113 K C -1.270 175.492 176.600 0.269 0.000 0.968 113 K CA -0.614 55.775 56.287 0.170 0.000 0.846 113 K CB 2.059 34.624 32.500 0.109 0.000 1.141 113 K HN 0.435 nan 8.250 nan 0.000 0.434 114 I N 2.403 123.135 120.570 0.270 0.000 2.498 114 I HA 0.379 4.549 4.170 -0.001 0.000 0.290 114 I C -0.329 176.057 176.117 0.448 0.000 1.032 114 I CA -0.826 60.714 61.300 0.401 0.000 1.073 114 I CB 1.617 39.910 38.000 0.488 0.000 1.251 114 I HN 0.294 nan 8.210 nan 0.000 0.426 115 R N 6.335 127.040 120.500 0.342 0.000 2.561 115 R HA 0.497 4.837 4.340 -0.001 0.000 0.297 115 R C -2.727 173.659 176.300 0.144 0.000 0.969 115 R CA -2.129 54.091 56.100 0.199 0.000 0.879 115 R CB 2.084 32.436 30.300 0.087 0.000 1.178 115 R HN 0.289 nan 8.270 nan 0.000 0.445 116 P HA 0.223 nan 4.420 nan 0.000 0.276 116 P C -0.639 176.601 177.300 -0.100 0.000 1.230 116 P CA -0.392 62.527 63.100 -0.303 0.000 0.776 116 P CB 1.270 32.351 31.700 -1.032 0.000 0.888 117 R N 2.254 122.761 120.500 0.011 0.000 2.288 117 R HA 0.524 4.863 4.340 -0.001 0.000 0.326 117 R C 0.660 176.979 176.300 0.032 0.000 0.959 117 R CA -0.373 55.764 56.100 0.062 0.000 0.834 117 R CB 0.817 31.199 30.300 0.138 0.000 1.157 117 R HN 0.644 nan 8.270 nan 0.000 0.470 118 G N 1.338 110.147 108.800 0.015 0.000 3.182 118 G HA2 0.226 4.185 3.960 -0.001 0.000 0.167 118 G HA3 0.226 4.185 3.960 -0.001 0.000 0.167 118 G C 0.464 175.372 174.900 0.014 0.000 1.537 118 G CA 0.340 45.440 45.100 -0.000 0.000 1.046 118 G HN 0.595 nan 8.290 nan 0.000 0.580 119 A N -1.239 121.589 122.820 0.014 0.000 2.235 119 A HA 0.371 4.690 4.320 -0.001 0.000 0.208 119 A C 1.396 178.994 177.584 0.023 0.000 1.172 119 A CA 1.004 53.059 52.037 0.028 0.000 0.786 119 A CB -0.783 18.250 19.000 0.055 0.000 0.804 119 A HN 0.689 nan 8.150 nan 0.000 0.479 120 M N -1.651 117.964 119.600 0.024 0.000 2.818 120 M HA -0.233 4.247 4.480 -0.001 0.000 0.194 120 M C 0.635 176.885 176.300 -0.083 0.000 0.586 120 M CA 0.883 56.172 55.300 -0.017 0.000 0.664 120 M CB -2.111 30.378 32.600 -0.185 0.000 2.418 120 M HN 0.603 nan 8.290 nan 0.000 0.517 121 H N -0.242 118.769 119.070 -0.099 0.000 2.548 121 H HA 0.191 4.746 4.556 -0.001 0.000 0.268 121 H C 1.493 176.661 175.328 -0.268 0.000 0.975 121 H CA 1.155 57.076 56.048 -0.212 0.000 1.195 121 H CB 0.259 29.829 29.762 -0.319 0.000 1.397 121 H HN 0.553 nan 8.280 nan 0.000 0.572 122 G N -0.055 108.751 108.800 0.009 0.000 2.272 122 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.247 122 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.247 122 G C 0.539 175.513 174.900 0.122 0.000 1.272 122 G CA -0.481 44.673 45.100 0.090 0.000 0.921 122 G HN 0.441 nan 8.290 nan 0.000 0.495 123 W N 1.461 122.889 121.300 0.214 0.000 2.525 123 W HA 0.000 4.660 4.660 -0.001 0.000 0.288 123 W C 1.089 177.671 176.519 0.105 0.000 1.200 123 W CA 0.461 57.946 57.345 0.233 0.000 1.349 123 W CB -0.345 29.307 29.460 0.321 0.000 1.102 123 W HN 0.324 nan 8.180 nan 0.000 0.558 124 T N 4.090 118.809 114.554 0.274 0.000 2.853 124 T HA 0.039 4.388 4.350 -0.001 0.000 0.298 124 T C -1.849 172.674 174.700 -0.294 0.000 0.978 124 T CA -0.674 61.248 62.100 -0.296 0.000 1.152 124 T CB 1.068 69.936 68.868 0.000 0.000 0.914 124 T HN -0.086 nan 8.240 nan 0.000 0.539 125 P HA 0.119 nan 4.420 nan 0.000 0.237 125 P C 0.317 177.541 177.300 -0.128 0.000 1.701 125 P CA 0.161 63.063 63.100 -0.331 0.000 0.955 125 P CB -0.341 31.079 31.700 -0.467 0.000 1.937 126 L N -0.774 120.425 121.223 -0.040 0.000 2.529 126 L HA 0.030 4.370 4.340 -0.001 0.000 0.223 126 L C 1.988 178.847 176.870 -0.018 0.000 1.113 126 L CA 0.755 55.614 54.840 0.030 0.000 0.861 126 L CB -0.405 41.675 42.059 0.035 0.000 1.012 126 L HN 0.099 nan 8.230 nan 0.000 0.461 127 T N -0.853 113.663 114.554 -0.064 0.000 3.115 127 T HA 0.136 4.485 4.350 -0.001 0.000 0.235 127 T C 0.390 174.987 174.700 -0.171 0.000 0.999 127 T CA 0.580 62.608 62.100 -0.120 0.000 1.276 127 T CB 0.388 69.150 68.868 -0.176 0.000 0.967 127 T HN 0.065 nan 8.240 nan 0.000 0.420 128 V N 0.076 119.821 119.914 -0.282 0.000 2.876 128 V HA 0.679 4.798 4.120 -0.001 0.000 0.312 128 V C -1.285 174.718 176.094 -0.151 0.000 1.085 128 V CA -1.224 60.935 62.300 -0.235 0.000 0.945 128 V CB 2.295 33.897 31.823 -0.369 0.000 1.017 128 V HN 0.312 nan 8.190 nan 0.000 0.428 129 E N 1.551 121.700 120.200 -0.085 0.000 2.242 129 E HA 0.333 4.683 4.350 -0.001 0.000 0.275 129 E C -0.619 175.961 176.600 -0.033 0.000 1.002 129 E CA -0.882 55.481 56.400 -0.062 0.000 0.841 129 E CB 1.903 31.585 29.700 -0.029 0.000 1.109 129 E HN 0.737 nan 8.360 nan 0.000 0.394 130 K N 0.912 121.304 120.400 -0.014 0.000 2.484 130 K HA -0.008 4.311 4.320 -0.001 0.000 0.280 130 K C 0.726 177.334 176.600 0.013 0.000 1.013 130 K CA 1.027 57.325 56.287 0.017 0.000 1.029 130 K CB 0.006 32.527 32.500 0.036 0.000 0.902 130 K HN 0.761 nan 8.250 nan 0.000 0.481 131 G N 2.029 110.839 108.800 0.015 0.000 2.175 131 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.265 131 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.265 131 G C 0.166 175.070 174.900 0.006 0.000 0.979 131 G CA 0.375 45.483 45.100 0.012 0.000 0.663 131 G HN 0.936 nan 8.290 nan 0.000 0.533 132 A N -0.339 122.481 122.820 -0.000 0.000 2.351 132 A HA 0.600 4.919 4.320 -0.001 0.000 0.257 132 A C 0.624 178.204 177.584 -0.007 0.000 1.087 132 A CA 0.070 52.106 52.037 -0.002 0.000 0.798 132 A CB 0.397 19.393 19.000 -0.006 0.000 1.033 132 A HN 0.549 nan 8.150 nan 0.000 0.488 133 N N 1.154 119.850 118.700 -0.006 0.000 2.411 133 N HA 0.186 4.925 4.740 -0.001 0.000 0.259 133 N C 0.165 175.666 175.510 -0.015 0.000 1.103 133 N CA 0.160 53.204 53.050 -0.010 0.000 0.954 133 N CB 1.148 39.629 38.487 -0.009 0.000 1.085 133 N HN 0.627 nan 8.380 nan 0.000 0.485 134 V N 0.981 120.887 119.914 -0.013 0.000 3.043 134 V HA 0.304 4.423 4.120 -0.001 0.000 0.357 134 V C 1.147 177.260 176.094 0.032 0.000 1.372 134 V CA -0.186 62.115 62.300 0.001 0.000 1.214 134 V CB -0.348 31.474 31.823 -0.002 0.000 1.224 134 V HN 0.499 nan 8.190 nan 0.000 0.507 135 E N 1.186 121.393 120.200 0.012 0.000 2.265 135 E HA -0.043 4.306 4.350 -0.001 0.000 0.196 135 E C 0.928 177.525 176.600 -0.006 0.000 0.996 135 E CA 0.894 57.332 56.400 0.064 0.000 0.832 135 E CB 0.088 29.811 29.700 0.037 0.000 0.756 135 E HN 0.630 nan 8.360 nan 0.000 0.491 136 K N 0.793 121.059 120.400 -0.224 0.000 3.010 136 K HA 0.239 4.558 4.320 -0.001 0.000 0.211 136 K C -1.117 175.306 176.600 -0.294 0.000 1.146 136 K CA -0.125 55.687 56.287 -0.792 0.000 1.070 136 K CB 1.350 33.398 32.500 -0.752 0.000 0.908 136 K HN -0.140 nan 8.250 nan 0.000 0.463 137 V N 1.796 121.776 119.914 0.111 0.000 2.709 137 V HA 0.438 4.557 4.120 -0.001 0.000 0.308 137 V C -0.714 175.626 176.094 0.410 0.000 1.062 137 V CA -0.968 61.483 62.300 0.251 0.000 0.901 137 V CB 2.374 34.278 31.823 0.134 0.000 1.003 137 V HN 0.159 nan 8.190 nan 0.000 0.425 138 I N 5.022 125.843 120.570 0.418 0.000 2.436 138 I HA 0.473 4.642 4.170 -0.001 0.000 0.289 138 I C -0.372 175.932 176.117 0.311 0.000 1.010 138 I CA -0.532 60.996 61.300 0.381 0.000 1.098 138 I CB 1.797 40.034 38.000 0.395 0.000 1.266 138 I HN 0.395 nan 8.210 nan 0.000 0.434 139 L N 5.169 126.555 121.223 0.272 0.000 2.275 139 L HA 0.607 4.946 4.340 -0.001 0.000 0.288 139 L C 0.487 177.511 176.870 0.258 0.000 1.046 139 L CA -0.653 54.327 54.840 0.233 0.000 0.805 139 L CB 1.570 43.741 42.059 0.187 0.000 1.193 139 L HN 0.685 nan 8.230 nan 0.000 0.426 140 A N 2.368 125.361 122.820 0.289 0.000 2.341 140 A HA 0.216 4.535 4.320 -0.001 0.000 0.326 140 A C -0.347 177.387 177.584 0.249 0.000 1.402 140 A CA -0.550 51.673 52.037 0.310 0.000 0.957 140 A CB 0.127 19.395 19.000 0.447 0.000 1.151 140 A HN 0.678 nan 8.150 nan 0.000 0.533 141 D N 3.170 123.683 120.400 0.188 0.000 2.363 141 D HA 0.062 4.701 4.640 -0.001 0.000 0.263 141 D C 1.471 177.843 176.300 0.120 0.000 1.258 141 D CA 0.924 54.996 54.000 0.120 0.000 0.907 141 D CB 0.916 41.760 40.800 0.073 0.000 1.107 141 D HN 0.540 nan 8.370 nan 0.000 0.495 142 T N 0.888 115.505 114.554 0.105 0.000 3.067 142 T HA 0.005 4.354 4.350 -0.001 0.000 0.257 142 T C 1.903 176.636 174.700 0.056 0.000 1.105 142 T CA 0.137 62.305 62.100 0.114 0.000 1.104 142 T CB -0.058 68.871 68.868 0.102 0.000 0.925 142 T HN 0.384 nan 8.240 nan 0.000 0.498 143 M N 1.199 120.808 119.600 0.014 0.000 2.492 143 M HA 0.060 4.539 4.480 -0.001 0.000 0.262 143 M C 2.188 178.450 176.300 -0.064 0.000 1.090 143 M CA 0.846 56.135 55.300 -0.017 0.000 1.110 143 M CB -0.674 31.910 32.600 -0.027 0.000 1.407 143 M HN 0.217 nan 8.290 nan 0.000 0.470 144 T N -0.584 113.897 114.554 -0.122 0.000 2.737 144 T HA -0.112 4.237 4.350 -0.001 0.000 0.265 144 T C 1.551 176.004 174.700 -0.412 0.000 1.038 144 T CA 1.265 63.172 62.100 -0.322 0.000 1.144 144 T CB -0.136 68.448 68.868 -0.474 0.000 0.866 144 T HN 0.447 nan 8.240 nan 0.000 0.434 145 H N -0.752 118.340 119.070 0.036 0.000 3.067 145 H HA 0.356 4.911 4.556 -0.001 0.000 0.241 145 H C 0.785 176.135 175.328 0.038 0.000 0.961 145 H CA 0.021 56.090 56.048 0.034 0.000 1.123 145 H CB 0.132 29.917 29.762 0.038 0.000 1.448 145 H HN 0.222 nan 8.280 nan 0.000 0.457 146 L N 3.855 125.173 121.223 0.158 0.000 2.672 146 L HA 0.084 4.423 4.340 -0.001 0.000 0.238 146 L C 0.106 177.024 176.870 0.081 0.000 1.392 146 L CA -0.013 54.898 54.840 0.119 0.000 1.238 146 L CB -0.603 41.536 42.059 0.135 0.000 1.548 146 L HN 0.278 nan 8.230 nan 0.000 0.423 147 N N -1.188 117.553 118.700 0.068 0.000 2.299 147 N HA 0.093 4.832 4.740 -0.001 0.000 0.246 147 N C 0.471 176.004 175.510 0.038 0.000 1.254 147 N CA -0.342 52.734 53.050 0.044 0.000 0.879 147 N CB 0.520 39.022 38.487 0.025 0.000 1.214 147 N HN 0.156 nan 8.380 nan 0.000 0.510 148 G N 0.517 109.344 108.800 0.044 0.000 2.491 148 G HA2 0.485 4.444 3.960 -0.001 0.000 0.238 148 G HA3 0.485 4.444 3.960 -0.001 0.000 0.238 148 G C -0.507 174.409 174.900 0.027 0.000 1.277 148 G CA -0.258 44.862 45.100 0.034 0.000 0.851 148 G HN 0.328 nan 8.290 nan 0.000 0.573 149 I N 1.090 121.670 120.570 0.017 0.000 2.512 149 I HA 0.374 4.543 4.170 -0.001 0.000 0.287 149 I C -0.303 175.813 176.117 -0.001 0.000 1.069 149 I CA -0.679 60.626 61.300 0.008 0.000 1.056 149 I CB 2.680 40.678 38.000 -0.003 0.000 1.229 149 I HN 0.618 nan 8.210 nan 0.000 0.429 150 T N 2.696 117.244 114.554 -0.009 0.000 2.928 150 T HA 0.615 4.964 4.350 -0.001 0.000 0.296 150 T C -0.685 173.976 174.700 -0.065 0.000 1.000 150 T CA -0.706 61.377 62.100 -0.027 0.000 0.989 150 T CB 1.590 70.449 68.868 -0.016 0.000 1.005 150 T HN 0.136 nan 8.240 nan 0.000 0.442 151 V N 3.922 123.753 119.914 -0.138 0.000 2.465 151 V HA 0.384 4.504 4.120 -0.001 0.000 0.279 151 V C -0.068 175.901 176.094 -0.209 0.000 1.045 151 V CA -0.763 61.392 62.300 -0.241 0.000 0.938 151 V CB 0.687 32.167 31.823 -0.571 0.000 0.986 151 V HN 0.977 nan 8.190 nan 0.000 0.467 152 N N 2.084 120.702 118.700 -0.137 0.000 2.511 152 N HA 0.350 5.089 4.740 -0.001 0.000 0.249 152 N C 0.526 175.984 175.510 -0.087 0.000 0.971 152 N CA -0.409 52.587 53.050 -0.090 0.000 0.938 152 N CB 1.296 39.757 38.487 -0.043 0.000 1.131 152 N HN 0.774 nan 8.380 nan 0.000 0.505 153 T N -2.092 112.407 114.554 -0.091 0.000 3.145 153 T HA 0.192 4.541 4.350 -0.001 0.000 0.255 153 T C 0.869 175.552 174.700 -0.029 0.000 1.039 153 T CA -0.634 61.429 62.100 -0.061 0.000 0.928 153 T CB -0.043 68.791 68.868 -0.056 0.000 1.029 153 T HN 0.402 nan 8.240 nan 0.000 0.554 154 G N 0.028 108.813 108.800 -0.025 0.000 2.800 154 G HA2 0.629 4.588 3.960 -0.001 0.000 0.340 154 G HA3 0.629 4.588 3.960 -0.001 0.000 0.340 154 G C 0.032 174.926 174.900 -0.009 0.000 1.089 154 G CA -0.243 44.849 45.100 -0.013 0.000 1.144 154 G HN 0.732 nan 8.290 nan 0.000 0.461 155 G N 2.554 111.351 108.800 -0.006 0.000 2.317 155 G HA2 0.504 4.463 3.960 -0.001 0.000 0.293 155 G HA3 0.504 4.463 3.960 -0.001 0.000 0.293 155 G C -1.447 173.452 174.900 -0.000 0.000 1.287 155 G CA 0.024 45.123 45.100 -0.002 0.000 0.850 155 G HN 0.208 nan 8.290 nan 0.000 0.515 156 P HA 0.087 nan 4.420 nan 0.000 0.218 156 P C 0.491 177.792 177.300 0.002 0.000 1.148 156 P CA 1.337 64.439 63.100 0.003 0.000 0.822 156 P CB 0.459 32.162 31.700 0.005 0.000 0.784 157 V N -1.092 118.823 119.914 0.002 0.000 2.932 157 V HA 0.650 4.769 4.120 -0.001 0.000 0.307 157 V C -1.079 175.017 176.094 0.003 0.000 1.147 157 V CA -0.956 61.345 62.300 0.002 0.000 0.951 157 V CB 1.945 33.772 31.823 0.006 0.000 1.031 157 V HN 0.264 nan 8.190 nan 0.000 0.426 158 A N 3.925 126.745 122.820 -0.000 0.000 2.445 158 A HA 0.737 5.056 4.320 -0.001 0.000 0.242 158 A C 0.399 177.994 177.584 0.020 0.000 1.075 158 A CA 0.682 52.716 52.037 -0.006 0.000 0.777 158 A CB 0.268 19.257 19.000 -0.018 0.000 1.013 158 A HN 1.600 nan 8.150 nan 0.000 0.493 159 T N -1.860 112.699 114.554 0.009 0.000 2.841 159 T HA 0.650 4.999 4.350 -0.001 0.000 0.296 159 T C -0.882 173.831 174.700 0.020 0.000 1.166 159 T CA -0.408 61.719 62.100 0.045 0.000 1.007 159 T CB 1.228 70.120 68.868 0.040 0.000 1.253 159 T HN 1.744 nan 8.240 nan 0.000 0.511 160 V N 0.670 120.625 119.914 0.068 0.000 2.686 160 V HA 0.686 4.806 4.120 -0.001 0.000 0.306 160 V C -0.989 175.146 176.094 0.069 0.000 1.065 160 V CA -0.253 62.069 62.300 0.036 0.000 0.894 160 V CB 2.166 34.006 31.823 0.027 0.000 1.004 160 V HN 1.227 nan 8.190 nan 0.000 0.424 161 T N 6.225 120.800 114.554 0.035 0.000 2.771 161 T HA 0.844 5.193 4.350 -0.001 0.000 0.281 161 T C -0.259 174.470 174.700 0.047 0.000 0.982 161 T CA 0.136 62.263 62.100 0.046 0.000 0.978 161 T CB 1.331 70.216 68.868 0.027 0.000 0.930 161 T HN 1.275 nan 8.240 nan 0.000 0.447 162 A N 2.295 125.155 122.820 0.065 0.000 2.486 162 A HA 0.835 5.155 4.320 -0.001 0.000 0.300 162 A C 0.330 177.953 177.584 0.063 0.000 1.048 162 A CA -0.802 51.272 52.037 0.062 0.000 0.696 162 A CB 1.267 20.315 19.000 0.080 0.000 1.278 162 A HN 0.970 nan 8.150 nan 0.000 0.405 163 G N 0.115 108.950 108.800 0.057 0.000 2.491 163 G HA2 0.501 4.460 3.960 -0.001 0.000 0.238 163 G HA3 0.501 4.460 3.960 -0.001 0.000 0.238 163 G C 1.081 176.020 174.900 0.064 0.000 1.277 163 G CA 0.277 45.416 45.100 0.065 0.000 0.851 163 G HN 1.744 nan 8.290 nan 0.000 0.573 164 A N 1.247 124.109 122.820 0.070 0.000 2.125 164 A HA 0.092 4.411 4.320 -0.001 0.000 0.219 164 A C 2.327 179.928 177.584 0.029 0.000 1.156 164 A CA 1.884 53.948 52.037 0.046 0.000 0.671 164 A CB -0.201 18.822 19.000 0.039 0.000 0.794 164 A HN 1.037 nan 8.150 nan 0.000 0.459 165 G N -1.162 107.664 108.800 0.044 0.000 3.042 165 G HA2 0.405 4.364 3.960 -0.001 0.000 0.212 165 G HA3 0.405 4.364 3.960 -0.001 0.000 0.212 165 G C 0.619 175.529 174.900 0.016 0.000 1.166 165 G CA 0.524 45.640 45.100 0.027 0.000 0.767 165 G HN 0.737 nan 8.290 nan 0.000 0.546 166 A N 0.963 123.799 122.820 0.026 0.000 2.425 166 A HA 0.555 4.874 4.320 -0.001 0.000 0.249 166 A C 0.979 178.570 177.584 0.012 0.000 1.084 166 A CA 0.207 52.255 52.037 0.018 0.000 0.781 166 A CB 0.297 19.315 19.000 0.030 0.000 1.019 166 A HN 0.742 nan 8.150 nan 0.000 0.490 167 S N 1.883 117.577 115.700 -0.010 0.000 2.592 167 S HA 0.305 4.774 4.470 -0.001 0.000 0.271 167 S C 1.153 175.752 174.600 -0.002 0.000 1.326 167 S CA 0.020 58.203 58.200 -0.030 0.000 1.024 167 S CB 0.369 63.526 63.200 -0.071 0.000 0.921 167 S HN 1.042 nan 8.310 nan 0.000 0.527 168 I N -1.232 119.348 120.570 0.016 0.000 2.493 168 I HA -0.067 4.102 4.170 -0.001 0.000 0.254 168 I C 2.244 178.414 176.117 0.090 0.000 1.160 168 I CA 1.582 62.960 61.300 0.130 0.000 1.445 168 I CB -0.480 37.675 38.000 0.259 0.000 1.086 168 I HN 0.863 nan 8.210 nan 0.000 0.433 169 E N 1.910 122.062 120.200 -0.080 0.000 2.072 169 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 169 E C 2.336 178.931 176.600 -0.009 0.000 0.985 169 E CA 1.298 57.655 56.400 -0.072 0.000 0.801 169 E CB -0.070 29.450 29.700 -0.300 0.000 0.750 169 E HN 0.623 nan 8.360 nan 0.000 0.452 170 A N 1.069 123.863 122.820 -0.043 0.000 1.902 170 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 170 A C 2.142 179.688 177.584 -0.063 0.000 1.181 170 A CA 1.307 53.320 52.037 -0.041 0.000 0.623 170 A CB -0.606 18.375 19.000 -0.033 0.000 0.818 170 A HN 0.319 nan 8.150 nan 0.000 0.443 171 I N 0.283 120.807 120.570 -0.077 0.000 2.142 171 I HA -0.234 3.935 4.170 -0.001 0.000 0.240 171 I C 2.504 178.436 176.117 -0.309 0.000 1.078 171 I CA 1.742 62.945 61.300 -0.161 0.000 1.343 171 I CB -0.421 37.491 38.000 -0.147 0.000 1.046 171 I HN 0.343 nan 8.210 nan 0.000 0.405 172 V N -2.555 117.151 119.914 -0.347 0.000 2.809 172 V HA -0.151 3.968 4.120 -0.001 0.000 0.256 172 V C 2.185 178.130 176.094 -0.250 0.000 1.080 172 V CA 1.943 63.988 62.300 -0.424 0.000 1.102 172 V CB -1.151 30.457 31.823 -0.357 0.000 0.705 172 V HN 0.346 nan 8.190 nan 0.000 0.475 173 T N 0.381 114.854 114.554 -0.136 0.000 2.777 173 T HA -0.084 4.265 4.350 -0.001 0.000 0.266 173 T C 1.889 176.512 174.700 -0.128 0.000 1.040 173 T CA 1.773 63.807 62.100 -0.109 0.000 1.141 173 T CB -0.259 68.576 68.868 -0.054 0.000 0.868 173 T HN 0.548 nan 8.240 nan 0.000 0.444 174 E N 1.188 121.322 120.200 -0.110 0.000 2.106 174 E HA 0.035 4.384 4.350 -0.001 0.000 0.192 174 E C 2.338 178.921 176.600 -0.028 0.000 0.984 174 E CA 0.567 56.935 56.400 -0.055 0.000 0.806 174 E CB -0.459 29.221 29.700 -0.033 0.000 0.750 174 E HN 0.458 nan 8.360 nan 0.000 0.458 175 L N 0.785 121.919 121.223 -0.148 0.000 2.042 175 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 175 L C 2.820 179.589 176.870 -0.169 0.000 1.076 175 L CA 1.381 56.119 54.840 -0.169 0.000 0.749 175 L CB -0.464 41.383 42.059 -0.353 0.000 0.893 175 L HN 0.192 nan 8.230 nan 0.000 0.432 176 Q N 0.653 120.299 119.800 -0.257 0.000 2.135 176 Q HA -0.241 4.098 4.340 -0.001 0.000 0.204 176 Q C 2.040 177.831 176.000 -0.349 0.000 0.981 176 Q CA 1.556 57.133 55.803 -0.376 0.000 0.856 176 Q CB 0.091 28.589 28.738 -0.401 0.000 0.902 176 Q HN 0.426 nan 8.270 nan 0.000 0.425 177 K N -0.729 119.520 120.400 -0.253 0.000 2.360 177 K HA -0.117 4.202 4.320 -0.001 0.000 0.201 177 K C 0.891 177.227 176.600 -0.440 0.000 1.046 177 K CA 0.793 56.887 56.287 -0.321 0.000 0.945 177 K CB 0.065 32.379 32.500 -0.310 0.000 0.750 177 K HN 0.406 nan 8.250 nan 0.000 0.464 178 H N -0.237 118.724 119.070 -0.182 0.000 2.528 178 H HA 0.023 4.579 4.556 -0.001 0.000 0.282 178 H C -0.432 174.800 175.328 -0.160 0.000 1.097 178 H CA -0.038 55.925 56.048 -0.141 0.000 1.121 178 H CB 0.422 30.117 29.762 -0.111 0.000 1.590 178 H HN 0.186 nan 8.280 nan 0.000 0.553 179 D N 0.958 121.255 120.400 -0.172 0.000 2.772 179 D HA -0.170 4.469 4.640 -0.001 0.000 0.233 179 D C -0.840 175.378 176.300 -0.137 0.000 1.143 179 D CA 0.381 54.247 54.000 -0.224 0.000 0.700 179 D CB -1.247 39.475 40.800 -0.130 0.000 1.076 179 D HN 0.361 nan 8.370 nan 0.000 0.430 180 L N -1.065 120.074 121.223 -0.140 0.000 2.279 180 L HA 0.954 5.294 4.340 -0.001 0.000 0.262 180 L C 1.088 177.880 176.870 -0.130 0.000 1.019 180 L CA -0.289 54.505 54.840 -0.077 0.000 0.823 180 L CB 2.295 44.317 42.059 -0.062 0.000 1.358 180 L HN 0.154 nan 8.230 nan 0.000 0.432 181 G N -0.856 107.937 108.800 -0.011 0.000 2.451 181 G HA2 0.422 4.382 3.960 -0.001 0.000 0.292 181 G HA3 0.422 4.382 3.960 -0.001 0.000 0.292 181 G C -2.707 172.329 174.900 0.227 0.000 1.427 181 G CA -0.549 44.501 45.100 -0.083 0.000 0.792 181 G HN 0.280 nan 8.290 nan 0.000 0.498 182 W N -0.070 121.220 121.300 -0.017 0.000 2.606 182 W HA 0.662 5.321 4.660 -0.001 0.000 0.332 182 W C 0.747 177.147 176.519 -0.199 0.000 1.052 182 W CA -0.436 56.874 57.345 -0.058 0.000 1.223 182 W CB 1.883 31.301 29.460 -0.070 0.000 1.383 182 W HN 0.824 nan 8.180 nan 0.000 0.524 183 A N 2.272 124.984 122.820 -0.179 0.000 2.021 183 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 183 A C 0.822 178.324 177.584 -0.137 0.000 1.163 183 A CA 1.070 52.935 52.037 -0.286 0.000 0.676 183 A CB -0.200 18.292 19.000 -0.846 0.000 0.818 183 A HN 0.451 nan 8.150 nan 0.000 0.453 184 N N 0.252 118.876 118.700 -0.127 0.000 2.841 184 N HA 0.400 5.139 4.740 -0.001 0.000 0.257 184 N C -1.193 174.283 175.510 -0.057 0.000 1.396 184 N CA -0.241 52.767 53.050 -0.069 0.000 0.823 184 N CB -0.069 38.407 38.487 -0.019 0.000 1.162 184 N HN 0.220 nan 8.380 nan 0.000 0.503 185 L N 1.727 122.895 121.223 -0.092 0.000 2.371 185 L HA 0.525 4.865 4.340 -0.001 0.000 0.272 185 L C -1.781 175.051 176.870 -0.063 0.000 1.124 185 L CA -1.770 53.033 54.840 -0.062 0.000 0.816 185 L CB 0.786 42.695 42.059 -0.249 0.000 1.129 185 L HN 0.241 nan 8.230 nan 0.000 0.448 186 P HA 0.046 nan 4.420 nan 0.000 0.272 186 P C -0.014 177.278 177.300 -0.013 0.000 1.230 186 P CA -0.123 62.921 63.100 -0.092 0.000 0.788 186 P CB 0.896 32.542 31.700 -0.091 0.000 0.949 187 A N 3.626 126.336 122.820 -0.183 0.000 1.972 187 A HA 0.007 4.326 4.320 -0.001 0.000 0.219 187 A C -1.344 176.118 177.584 -0.204 0.000 1.169 187 A CA 1.494 53.299 52.037 -0.387 0.000 0.635 187 A CB -1.860 16.659 19.000 -0.801 0.000 0.810 187 A HN 0.499 nan 8.150 nan 0.000 0.446 188 P HA 0.305 nan 4.420 nan 0.000 0.304 188 P C 0.405 177.468 177.300 -0.396 0.000 1.360 188 P CA -0.000 62.941 63.100 -0.264 0.000 0.869 188 P CB 1.407 32.835 31.700 -0.453 0.000 0.988 189 G N 2.262 110.674 108.800 -0.647 0.000 2.744 189 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.211 189 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.211 189 G C 1.184 175.795 174.900 -0.482 0.000 1.143 189 G CA 0.120 44.585 45.100 -1.058 0.000 0.788 189 G HN 0.442 nan 8.290 nan 0.000 0.534 190 V N 0.931 120.630 119.914 -0.358 0.000 2.913 190 V HA 0.181 4.300 4.120 -0.001 0.000 0.260 190 V C 1.331 177.306 176.094 -0.199 0.000 1.098 190 V CA 0.222 62.374 62.300 -0.246 0.000 1.121 190 V CB -0.383 31.312 31.823 -0.214 0.000 0.714 190 V HN 0.258 nan 8.190 nan 0.000 0.487 191 L N 2.036 123.112 121.223 -0.244 0.000 2.525 191 L HA 0.125 4.464 4.340 -0.001 0.000 0.278 191 L C 0.923 177.745 176.870 -0.080 0.000 1.218 191 L CA 0.567 55.309 54.840 -0.164 0.000 0.878 191 L CB 0.181 42.138 42.059 -0.170 0.000 1.127 191 L HN 0.409 nan 8.230 nan 0.000 0.492 192 S N 2.146 117.817 115.700 -0.048 0.000 2.585 192 S HA 0.104 4.573 4.470 -0.001 0.000 0.273 192 S C 0.871 175.468 174.600 -0.004 0.000 1.339 192 S CA -0.738 57.448 58.200 -0.022 0.000 1.028 192 S CB 1.355 64.542 63.200 -0.023 0.000 0.906 192 S HN 0.563 nan 8.310 nan 0.000 0.528 193 I N 2.892 123.478 120.570 0.026 0.000 2.394 193 I HA 0.083 4.253 4.170 -0.001 0.000 0.251 193 I C 2.143 178.264 176.117 0.007 0.000 1.136 193 I CA 1.719 63.050 61.300 0.051 0.000 1.425 193 I CB -1.184 36.878 38.000 0.103 0.000 1.079 193 I HN 0.924 nan 8.210 nan 0.000 0.425 194 G N -0.217 108.573 108.800 -0.016 0.000 2.418 194 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.217 194 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.217 194 G C 1.688 176.544 174.900 -0.073 0.000 1.158 194 G CA 0.570 45.635 45.100 -0.058 0.000 0.771 194 G HN 0.541 nan 8.290 nan 0.000 0.545 195 G N 0.749 109.515 108.800 -0.058 0.000 2.421 195 G HA2 0.153 4.112 3.960 -0.001 0.000 0.217 195 G HA3 0.153 4.112 3.960 -0.001 0.000 0.217 195 G C 1.945 176.830 174.900 -0.025 0.000 1.143 195 G CA 1.375 46.448 45.100 -0.045 0.000 0.784 195 G HN 0.607 nan 8.290 nan 0.000 0.541 196 A N 0.650 123.456 122.820 -0.023 0.000 1.897 196 A HA 0.197 4.516 4.320 -0.001 0.000 0.215 196 A C 2.372 179.948 177.584 -0.015 0.000 1.181 196 A CA 0.917 52.944 52.037 -0.017 0.000 0.620 196 A CB -0.359 18.635 19.000 -0.011 0.000 0.821 196 A HN 0.319 nan 8.150 nan 0.000 0.443 197 L N -0.570 120.636 121.223 -0.028 0.000 2.083 197 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 197 L C 3.021 179.871 176.870 -0.034 0.000 1.083 197 L CA 0.888 55.708 54.840 -0.034 0.000 0.752 197 L CB -0.553 41.481 42.059 -0.042 0.000 0.899 197 L HN 0.428 nan 8.230 nan 0.000 0.433 198 A N 0.045 122.833 122.820 -0.054 0.000 2.032 198 A HA -0.147 4.172 4.320 -0.001 0.000 0.221 198 A C 1.810 179.354 177.584 -0.067 0.000 1.165 198 A CA 2.003 53.987 52.037 -0.088 0.000 0.645 198 A CB -0.592 18.347 19.000 -0.101 0.000 0.807 198 A HN 0.384 nan 8.150 nan 0.000 0.453 199 V N -3.062 116.870 119.914 0.029 0.000 3.070 199 V HA 0.211 4.331 4.120 -0.001 0.000 0.345 199 V C 0.183 176.416 176.094 0.232 0.000 1.403 199 V CA 0.022 62.413 62.300 0.151 0.000 1.155 199 V CB -1.488 30.475 31.823 0.234 0.000 1.140 199 V HN 0.848 nan 8.190 nan 0.000 0.505 200 N N 0.187 118.977 118.700 0.150 0.000 2.725 200 N HA -0.233 4.507 4.740 -0.001 0.000 0.251 200 N C 0.224 175.830 175.510 0.160 0.000 1.031 200 N CA 0.665 53.812 53.050 0.162 0.000 0.720 200 N CB -1.579 37.056 38.487 0.246 0.000 0.930 200 N HN 1.301 nan 8.380 nan 0.000 0.543 201 A N 0.750 123.610 122.820 0.066 0.000 2.586 201 A HA 0.303 4.622 4.320 -0.001 0.000 0.231 201 A C 0.561 178.123 177.584 -0.036 0.000 1.055 201 A CA 1.172 53.188 52.037 -0.035 0.000 0.756 201 A CB -0.054 18.907 19.000 -0.064 0.000 0.988 201 A HN 1.026 nan 8.150 nan 0.000 0.509 202 H N -1.405 117.566 119.070 -0.164 0.000 2.960 202 H HA 0.764 5.319 4.556 -0.001 0.000 0.323 202 H C 0.093 175.308 175.328 -0.188 0.000 1.326 202 H CA -0.396 55.553 56.048 -0.165 0.000 1.124 202 H CB 0.632 30.277 29.762 -0.195 0.000 1.853 202 H HN 0.845 nan 8.280 nan 0.000 0.536 203 G N -1.077 107.703 108.800 -0.033 0.000 3.122 203 G HA2 0.534 4.493 3.960 -0.001 0.000 0.180 203 G HA3 0.534 4.493 3.960 -0.001 0.000 0.180 203 G C -0.475 174.477 174.900 0.087 0.000 1.279 203 G CA -0.746 44.309 45.100 -0.075 0.000 0.987 203 G HN 1.069 nan 8.290 nan 0.000 0.589 204 A N -0.900 121.909 122.820 -0.019 0.000 2.637 204 A HA 0.734 5.053 4.320 -0.001 0.000 0.293 204 A C 0.658 178.288 177.584 0.076 0.000 1.216 204 A CA 0.610 52.706 52.037 0.098 0.000 0.956 204 A CB -0.472 18.604 19.000 0.128 0.000 1.174 204 A HN 1.300 nan 8.150 nan 0.000 0.525 205 A N 0.324 123.192 122.820 0.081 0.000 2.301 205 A HA 0.789 5.108 4.320 -0.001 0.000 0.312 205 A C -0.497 177.233 177.584 0.242 0.000 1.182 205 A CA -0.182 51.950 52.037 0.159 0.000 0.826 205 A CB 0.477 19.591 19.000 0.190 0.000 1.134 205 A HN 0.488 nan 8.150 nan 0.000 0.501 206 L N 3.083 124.337 121.223 0.053 0.000 2.424 206 L HA 0.519 4.858 4.340 -0.001 0.000 0.258 206 L C -2.452 174.100 176.870 -0.530 0.000 0.995 206 L CA -2.143 52.547 54.840 -0.250 0.000 0.821 206 L CB 3.408 45.431 42.059 -0.060 0.000 1.383 206 L HN 0.524 nan 8.230 nan 0.000 0.410 207 P HA 0.215 nan 4.420 nan 0.000 0.278 207 P C -0.867 176.304 177.300 -0.215 0.000 1.238 207 P CA -0.319 62.438 63.100 -0.571 0.000 0.794 207 P CB 1.459 32.816 31.700 -0.572 0.000 0.955 208 A N 3.233 125.997 122.820 -0.093 0.000 2.346 208 A HA 0.208 4.527 4.320 -0.001 0.000 0.252 208 A C 0.307 177.876 177.584 -0.025 0.000 1.089 208 A CA -0.477 51.547 52.037 -0.022 0.000 0.797 208 A CB -0.231 18.783 19.000 0.023 0.000 1.047 208 A HN 0.415 nan 8.150 nan 0.000 0.494 209 V N 1.320 121.232 119.914 -0.003 0.000 2.557 209 V HA 0.341 4.460 4.120 -0.001 0.000 0.301 209 V C 1.670 177.766 176.094 0.003 0.000 1.026 209 V CA 1.962 64.262 62.300 -0.001 0.000 1.137 209 V CB -0.191 31.637 31.823 0.008 0.000 0.917 209 V HN 1.964 nan 8.190 nan 0.000 0.484 210 G N 3.383 112.184 108.800 0.002 0.000 2.199 210 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.254 210 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.254 210 G C 0.346 175.253 174.900 0.012 0.000 0.982 210 G CA 0.421 45.527 45.100 0.010 0.000 0.632 210 G HN 0.740 nan 8.290 nan 0.000 0.529 211 Q N 1.858 121.659 119.800 0.002 0.000 2.286 211 Q HA 0.495 4.835 4.340 -0.001 0.000 0.257 211 Q C 0.796 176.807 176.000 0.019 0.000 0.941 211 Q CA 0.407 56.215 55.803 0.009 0.000 0.912 211 Q CB 0.493 29.226 28.738 -0.010 0.000 1.192 211 Q HN 0.515 nan 8.270 nan 0.000 0.410 212 T N 0.573 115.154 114.554 0.045 0.000 2.909 212 T HA 0.291 4.640 4.350 -0.001 0.000 0.289 212 T C 0.025 174.797 174.700 0.120 0.000 1.005 212 T CA -0.755 61.385 62.100 0.067 0.000 1.084 212 T CB 1.348 70.250 68.868 0.058 0.000 0.975 212 T HN 0.447 nan 8.240 nan 0.000 0.509 213 T N 4.131 118.782 114.554 0.163 0.000 2.727 213 T HA 0.307 4.657 4.350 -0.001 0.000 0.295 213 T C 0.558 175.343 174.700 0.142 0.000 0.915 213 T CA -0.501 61.751 62.100 0.253 0.000 1.066 213 T CB -0.257 68.785 68.868 0.290 0.000 0.891 213 T HN 0.445 nan 8.240 nan 0.000 0.516 214 L N 5.465 126.767 121.223 0.132 0.000 2.485 214 L HA 0.175 4.515 4.340 -0.001 0.000 0.275 214 L C -1.857 174.981 176.870 -0.053 0.000 1.207 214 L CA -1.851 53.004 54.840 0.025 0.000 0.855 214 L CB -0.213 41.838 42.059 -0.013 0.000 1.114 214 L HN 0.314 nan 8.230 nan 0.000 0.485 215 P HA 0.012 nan 4.420 nan 0.000 0.258 215 P C 0.691 177.924 177.300 -0.111 0.000 1.187 215 P CA 1.017 64.085 63.100 -0.053 0.000 0.767 215 P CB 0.618 32.299 31.700 -0.031 0.000 0.770 216 G N 1.986 110.749 108.800 -0.061 0.000 2.307 216 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.210 216 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.210 216 G C 0.066 174.984 174.900 0.030 0.000 1.005 216 G CA -0.408 44.668 45.100 -0.040 0.000 0.634 216 G HN 0.601 nan 8.290 nan 0.000 0.496 217 H N 0.423 119.489 119.070 -0.005 0.000 2.505 217 H HA 0.641 5.196 4.556 -0.001 0.000 0.355 217 H C -0.040 175.192 175.328 -0.160 0.000 1.179 217 H CA 0.523 56.519 56.048 -0.087 0.000 1.343 217 H CB 1.778 31.449 29.762 -0.153 0.000 1.501 217 H HN 0.172 nan 8.280 nan 0.000 0.569 218 T N 1.023 115.496 114.554 -0.135 0.000 2.916 218 T HA 0.196 4.545 4.350 -0.001 0.000 0.305 218 T C -0.675 173.818 174.700 -0.345 0.000 1.119 218 T CA -0.534 61.472 62.100 -0.157 0.000 1.008 218 T CB 0.698 69.519 68.868 -0.079 0.000 1.129 218 T HN 0.534 nan 8.240 nan 0.000 0.480 219 Y N 1.804 122.124 120.300 0.034 0.000 2.458 219 Y HA 0.384 4.934 4.550 -0.001 0.000 0.256 219 Y C 1.674 177.607 175.900 0.056 0.000 1.159 219 Y CA -0.282 57.838 58.100 0.034 0.000 1.261 219 Y CB 0.574 39.057 38.460 0.038 0.000 1.119 219 Y HN 0.749 nan 8.280 nan 0.000 0.524 220 G N 0.032 108.905 108.800 0.123 0.000 2.531 220 G HA2 0.290 4.249 3.960 -0.001 0.000 0.253 220 G HA3 0.290 4.249 3.960 -0.001 0.000 0.253 220 G C 0.007 174.959 174.900 0.087 0.000 1.439 220 G CA -0.243 44.928 45.100 0.118 0.000 1.056 220 G HN 0.206 nan 8.290 nan 0.000 0.555 221 S N -1.295 114.458 115.700 0.089 0.000 2.624 221 S HA 0.222 4.691 4.470 -0.001 0.000 0.263 221 S C 1.474 176.044 174.600 -0.051 0.000 1.287 221 S CA -0.617 57.623 58.200 0.068 0.000 0.990 221 S CB 1.038 64.307 63.200 0.115 0.000 0.950 221 S HN 0.372 nan 8.310 nan 0.000 0.561 222 L N 1.070 122.229 121.223 -0.107 0.000 2.191 222 L HA -0.085 4.254 4.340 -0.001 0.000 0.212 222 L C 2.711 179.455 176.870 -0.210 0.000 1.103 222 L CA 0.988 55.668 54.840 -0.267 0.000 0.769 222 L CB -0.792 41.095 42.059 -0.287 0.000 0.908 222 L HN 0.754 nan 8.230 nan 0.000 0.438 223 S N -0.050 115.594 115.700 -0.093 0.000 2.419 223 S HA -0.177 4.292 4.470 -0.001 0.000 0.233 223 S C 1.667 176.234 174.600 -0.055 0.000 1.016 223 S CA 1.337 59.502 58.200 -0.058 0.000 0.974 223 S CB -0.362 62.837 63.200 -0.002 0.000 0.786 223 S HN 0.449 nan 8.310 nan 0.000 0.492 224 N N 1.073 119.739 118.700 -0.056 0.000 2.512 224 N HA 0.098 4.837 4.740 -0.001 0.000 0.183 224 N C 1.117 176.585 175.510 -0.070 0.000 1.073 224 N CA 0.444 53.470 53.050 -0.040 0.000 0.911 224 N CB -0.219 38.259 38.487 -0.016 0.000 0.964 224 N HN 0.369 nan 8.380 nan 0.000 0.447 225 L N -0.459 120.682 121.223 -0.137 0.000 2.558 225 L HA 0.192 4.531 4.340 -0.001 0.000 0.225 225 L C 0.051 176.868 176.870 -0.089 0.000 1.128 225 L CA -0.144 54.604 54.840 -0.154 0.000 0.868 225 L CB 0.155 42.006 42.059 -0.346 0.000 1.006 225 L HN -0.090 nan 8.230 nan 0.000 0.454 226 V N 0.924 120.798 119.914 -0.067 0.000 2.529 226 V HA -0.061 4.058 4.120 -0.001 0.000 0.292 226 V C 1.566 177.663 176.094 0.004 0.000 1.028 226 V CA 0.975 63.262 62.300 -0.022 0.000 1.074 226 V CB 0.919 32.734 31.823 -0.013 0.000 0.958 226 V HN 0.450 nan 8.190 nan 0.000 0.481 227 T N 0.845 115.412 114.554 0.021 0.000 3.015 227 T HA 0.242 4.592 4.350 -0.001 0.000 0.250 227 T C 0.351 175.075 174.700 0.040 0.000 1.057 227 T CA 0.336 62.452 62.100 0.028 0.000 1.066 227 T CB 0.380 69.266 68.868 0.030 0.000 0.959 227 T HN 0.742 nan 8.240 nan 0.000 0.488 228 E N 0.204 120.433 120.200 0.049 0.000 2.389 228 E HA 0.460 4.810 4.350 -0.001 0.000 0.281 228 E C -2.252 174.394 176.600 0.076 0.000 1.072 228 E CA -1.089 55.351 56.400 0.067 0.000 0.845 228 E CB 1.592 31.323 29.700 0.052 0.000 1.239 228 E HN 0.257 nan 8.360 nan 0.000 0.434 229 L N -0.982 120.306 121.223 0.109 0.000 2.540 229 L HA 0.753 5.092 4.340 -0.001 0.000 0.256 229 L C -1.134 175.825 176.870 0.148 0.000 1.001 229 L CA -0.483 54.426 54.840 0.115 0.000 0.843 229 L CB 1.790 43.913 42.059 0.107 0.000 1.436 229 L HN 0.404 nan 8.230 nan 0.000 0.410 230 T N 0.803 115.431 114.554 0.123 0.000 2.824 230 T HA 0.956 5.306 4.350 -0.001 0.000 0.282 230 T C -0.491 174.297 174.700 0.146 0.000 0.993 230 T CA -0.002 62.165 62.100 0.113 0.000 0.967 230 T CB 1.635 70.540 68.868 0.062 0.000 0.960 230 T HN 1.078 nan 8.240 nan 0.000 0.441 231 A N 2.116 125.046 122.820 0.184 0.000 2.532 231 A HA 0.831 5.150 4.320 -0.001 0.000 0.290 231 A C -0.902 176.797 177.584 0.192 0.000 1.143 231 A CA -0.709 51.445 52.037 0.195 0.000 0.728 231 A CB 1.269 20.409 19.000 0.232 0.000 1.317 231 A HN 0.625 nan 8.150 nan 0.000 0.414 232 V N 1.362 121.389 119.914 0.189 0.000 2.389 232 V HA 0.444 4.564 4.120 -0.001 0.000 0.264 232 V C -0.325 176.043 176.094 0.457 0.000 1.049 232 V CA -0.058 62.400 62.300 0.263 0.000 0.932 232 V CB 0.452 32.404 31.823 0.215 0.000 1.011 232 V HN 0.587 nan 8.190 nan 0.000 0.475 233 V N 3.861 124.030 119.914 0.425 0.000 2.823 233 V HA 0.424 4.543 4.120 -0.001 0.000 0.312 233 V C -0.394 175.907 176.094 0.345 0.000 1.072 233 V CA -0.973 61.591 62.300 0.441 0.000 0.937 233 V CB 2.474 34.496 31.823 0.333 0.000 1.013 233 V HN 0.928 nan 8.190 nan 0.000 0.430 234 W N 4.998 126.304 121.300 0.011 0.000 2.304 234 W HA 0.170 4.829 4.660 -0.003 0.000 0.313 234 W C 0.392 176.833 176.519 -0.129 0.000 1.323 234 W CA -0.175 56.973 57.345 -0.328 0.000 1.223 234 W CB 1.045 30.197 29.460 -0.513 0.000 1.237 234 W HN 0.933 nan 8.180 nan 0.000 0.535 235 N N 3.947 122.285 118.700 -0.603 0.000 2.268 235 N HA 0.171 4.910 4.740 -0.001 0.000 0.204 235 N C 1.007 176.235 175.510 -0.470 0.000 1.124 235 N CA 0.539 53.354 53.050 -0.393 0.000 0.838 235 N CB 0.511 38.823 38.487 -0.291 0.000 0.994 235 N HN 0.703 nan 8.380 nan 0.000 0.489 236 G N -0.605 107.693 108.800 -0.836 0.000 2.339 236 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.209 236 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.209 236 G C 0.863 175.566 174.900 -0.328 0.000 1.015 236 G CA 0.545 45.460 45.100 -0.308 0.000 0.635 236 G HN 0.700 nan 8.290 nan 0.000 0.499 237 T N -3.453 110.617 114.554 -0.806 0.000 3.009 237 T HA 0.541 4.890 4.350 -0.001 0.000 0.267 237 T C 0.419 174.578 174.700 -0.901 0.000 0.942 237 T CA 1.621 63.418 62.100 -0.504 0.000 0.883 237 T CB 1.531 70.264 68.868 -0.226 0.000 1.192 237 T HN 1.414 nan 8.240 nan 0.000 0.524 238 T N -0.039 113.614 114.554 -1.501 0.000 2.733 238 T HA 0.519 4.868 4.350 -0.001 0.000 0.312 238 T C -2.114 172.126 174.700 -0.766 0.000 1.590 238 T CA -0.715 60.828 62.100 -0.929 0.000 1.005 238 T CB 0.800 69.496 68.868 -0.287 0.000 1.528 238 T HN 0.149 nan 8.240 nan 0.000 0.496 239 Y N 1.108 121.379 120.300 -0.049 0.000 2.304 239 Y HA 0.658 5.207 4.550 -0.001 0.000 0.327 239 Y C 0.833 176.740 175.900 0.011 0.000 1.209 239 Y CA 0.439 58.600 58.100 0.103 0.000 1.299 239 Y CB 1.332 39.943 38.460 0.252 0.000 1.249 239 Y HN 0.890 nan 8.280 nan 0.000 0.519 240 A N 2.188 125.112 122.820 0.173 0.000 2.599 240 A HA 0.672 4.991 4.320 -0.001 0.000 0.290 240 A C -1.746 175.895 177.584 0.096 0.000 1.101 240 A CA -0.964 51.121 52.037 0.080 0.000 0.674 240 A CB 0.932 19.922 19.000 -0.016 0.000 1.277 240 A HN 0.667 nan 8.150 nan 0.000 0.419 241 L N 0.846 122.097 121.223 0.047 0.000 2.349 241 L HA 0.561 4.900 4.340 -0.001 0.000 0.275 241 L C 0.338 177.204 176.870 -0.006 0.000 1.115 241 L CA 0.119 54.982 54.840 0.038 0.000 0.820 241 L CB 1.033 43.101 42.059 0.016 0.000 1.135 241 L HN 0.845 nan 8.230 nan 0.000 0.445 242 E N 1.098 121.285 120.200 -0.021 0.000 2.308 242 E HA 0.407 4.756 4.350 -0.001 0.000 0.275 242 E C -1.513 174.921 176.600 -0.278 0.000 0.890 242 E CA -0.567 55.727 56.400 -0.177 0.000 0.754 242 E CB 2.082 31.655 29.700 -0.212 0.000 1.207 242 E HN 0.492 nan 8.360 nan 0.000 0.426 243 T N 2.964 117.299 114.554 -0.364 0.000 2.823 243 T HA 0.459 4.808 4.350 -0.001 0.000 0.279 243 T C -1.306 173.138 174.700 -0.426 0.000 0.998 243 T CA -0.348 61.595 62.100 -0.261 0.000 0.994 243 T CB 0.333 69.136 68.868 -0.109 0.000 0.960 243 T HN 0.256 nan 8.240 nan 0.000 0.448 244 Y N 1.299 121.613 120.300 0.023 0.000 2.409 244 Y HA 0.474 5.023 4.550 -0.002 0.000 0.343 244 Y C 0.459 176.367 175.900 0.014 0.000 0.973 244 Y CA -1.321 56.790 58.100 0.018 0.000 1.064 244 Y CB 1.394 39.866 38.460 0.021 0.000 1.207 244 Y HN 0.344 nan 8.280 nan 0.000 0.452 245 Q N 1.157 121.050 119.800 0.155 0.000 2.221 245 Q HA 0.252 4.591 4.340 -0.001 0.000 0.242 245 Q C 1.017 177.069 176.000 0.087 0.000 0.940 245 Q CA -0.731 55.127 55.803 0.092 0.000 0.896 245 Q CB 1.405 30.177 28.738 0.056 0.000 1.226 245 Q HN 0.643 nan 8.270 nan 0.000 0.463 246 R N 1.751 122.285 120.500 0.057 0.000 2.241 246 R HA -0.107 4.232 4.340 -0.001 0.000 0.224 246 R C 0.930 177.249 176.300 0.032 0.000 1.101 246 R CA 1.369 57.492 56.100 0.039 0.000 0.995 246 R CB -0.119 30.197 30.300 0.027 0.000 0.870 246 R HN 0.605 nan 8.270 nan 0.000 0.463 247 N N -0.761 117.960 118.700 0.036 0.000 2.268 247 N HA -0.059 4.680 4.740 -0.001 0.000 0.204 247 N C -0.848 174.683 175.510 0.035 0.000 1.124 247 N CA -0.008 53.059 53.050 0.028 0.000 0.838 247 N CB -0.007 38.494 38.487 0.024 0.000 0.994 247 N HN 0.016 nan 8.380 nan 0.000 0.489 248 D N 1.217 121.648 120.400 0.051 0.000 2.329 248 D HA 0.291 4.930 4.640 -0.001 0.000 0.232 248 D C -1.765 174.555 176.300 0.033 0.000 1.088 248 D CA -2.142 51.899 54.000 0.067 0.000 0.835 248 D CB 2.165 43.052 40.800 0.145 0.000 1.078 248 D HN -0.090 nan 8.370 nan 0.000 0.495 249 P HA -0.109 nan 4.420 nan 0.000 0.218 249 P C 0.889 178.160 177.300 -0.049 0.000 1.146 249 P CA 1.053 64.144 63.100 -0.014 0.000 0.813 249 P CB 0.263 31.957 31.700 -0.009 0.000 0.778 250 R N -1.357 119.114 120.500 -0.048 0.000 2.276 250 R HA 0.098 4.437 4.340 -0.001 0.000 0.203 250 R C 2.173 178.291 176.300 -0.304 0.000 1.017 250 R CA 0.456 56.466 56.100 -0.151 0.000 1.010 250 R CB -0.577 29.666 30.300 -0.095 0.000 0.900 250 R HN 0.284 nan 8.270 nan 0.000 0.469 251 I N 1.121 121.569 120.570 -0.203 0.000 2.716 251 I HA -0.181 3.988 4.170 -0.001 0.000 0.259 251 I C 1.883 177.921 176.117 -0.131 0.000 1.172 251 I CA 1.067 62.244 61.300 -0.204 0.000 1.478 251 I CB -0.047 37.925 38.000 -0.047 0.000 1.104 251 I HN 0.226 nan 8.210 nan 0.000 0.439 252 T N -0.352 114.143 114.554 -0.097 0.000 2.737 252 T HA -0.093 4.256 4.350 -0.001 0.000 0.269 252 T C -0.584 174.069 174.700 -0.080 0.000 1.040 252 T CA 1.116 63.175 62.100 -0.068 0.000 1.142 252 T CB -2.014 66.824 68.868 -0.050 0.000 0.861 252 T HN 0.254 nan 8.240 nan 0.000 0.456 253 P HA 0.191 nan 4.420 nan 0.000 0.225 253 P C 1.413 178.733 177.300 0.033 0.000 1.156 253 P CA 0.562 63.567 63.100 -0.159 0.000 0.787 253 P CB -0.232 31.195 31.700 -0.455 0.000 0.802 254 L N -1.794 119.418 121.223 -0.019 0.000 2.418 254 L HA 0.006 4.345 4.340 -0.001 0.000 0.218 254 L C 2.076 178.937 176.870 -0.015 0.000 1.125 254 L CA 0.589 55.433 54.840 0.006 0.000 0.835 254 L CB -0.806 41.208 42.059 -0.075 0.000 0.953 254 L HN -0.015 nan 8.230 nan 0.000 0.454 255 L N -0.571 120.641 121.223 -0.019 0.000 2.131 255 L HA -0.066 4.274 4.340 -0.001 0.000 0.210 255 L C 0.375 177.234 176.870 -0.019 0.000 1.092 255 L CA 1.032 55.862 54.840 -0.016 0.000 0.759 255 L CB -0.435 41.618 42.059 -0.010 0.000 0.903 255 L HN 0.170 nan 8.230 nan 0.000 0.435 256 T N 0.125 114.668 114.554 -0.018 0.000 3.077 256 T HA 0.183 4.532 4.350 -0.001 0.000 0.359 256 T C 0.123 174.762 174.700 -0.101 0.000 1.108 256 T CA -0.525 61.548 62.100 -0.044 0.000 1.170 256 T CB 0.734 69.608 68.868 0.010 0.000 1.045 256 T HN 0.249 nan 8.240 nan 0.000 0.505 257 N N 2.534 121.139 118.700 -0.159 0.000 2.184 257 N HA 0.171 4.910 4.740 -0.001 0.000 0.206 257 N C 0.845 176.092 175.510 -0.438 0.000 1.151 257 N CA -0.422 52.460 53.050 -0.280 0.000 0.878 257 N CB -0.329 38.009 38.487 -0.248 0.000 1.014 257 N HN 0.523 nan 8.380 nan 0.000 0.512 258 L N -0.717 120.287 121.223 -0.364 0.000 4.137 258 L HA -0.271 4.068 4.340 -0.001 0.000 0.421 258 L C 1.131 177.844 176.870 -0.261 0.000 1.162 258 L CA 0.620 55.260 54.840 -0.333 0.000 0.978 258 L CB -1.954 39.831 42.059 -0.458 0.000 1.957 258 L HN 0.569 nan 8.230 nan 0.000 0.978 259 G N -0.426 108.213 108.800 -0.268 0.000 2.159 259 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.256 259 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.256 259 G C 0.687 175.435 174.900 -0.253 0.000 0.977 259 G CA 0.705 45.656 45.100 -0.249 0.000 0.652 259 G HN 0.449 nan 8.290 nan 0.000 0.531 260 R N -0.139 120.139 120.500 -0.369 0.000 2.236 260 R HA 0.282 4.622 4.340 -0.001 0.000 0.208 260 R C 0.932 177.094 176.300 -0.230 0.000 1.036 260 R CA 1.554 57.427 56.100 -0.379 0.000 1.001 260 R CB -0.418 29.383 30.300 -0.831 0.000 0.896 260 R HN 0.519 nan 8.270 nan 0.000 0.464 261 C N -0.809 118.328 119.300 -0.272 0.000 2.561 261 C HA 0.463 4.922 4.460 -0.001 0.000 0.319 261 C C -0.716 174.085 174.990 -0.315 0.000 1.198 261 C CA -1.245 57.674 59.018 -0.165 0.000 1.665 261 C CB 1.046 28.744 27.740 -0.070 0.000 2.258 261 C HN 0.372 nan 8.230 nan 0.000 0.493 262 F N 3.094 122.648 119.950 -0.660 0.000 2.334 262 F HA 0.573 5.099 4.527 -0.001 0.000 0.367 262 F C -0.233 175.401 175.800 -0.277 0.000 1.115 262 F CA -0.481 57.140 58.000 -0.631 0.000 1.116 262 F CB 0.350 38.667 39.000 -1.137 0.000 1.230 262 F HN 0.410 nan 8.300 nan 0.000 0.484 263 L N 5.442 126.694 121.223 0.048 0.000 2.326 263 L HA 0.298 4.637 4.340 -0.001 0.000 0.278 263 L C 1.085 178.092 176.870 0.228 0.000 1.092 263 L CA -0.263 54.645 54.840 0.113 0.000 0.810 263 L CB 1.674 43.742 42.059 0.014 0.000 1.153 263 L HN 0.680 nan 8.230 nan 0.000 0.439 264 T N -2.866 111.804 114.554 0.194 0.000 3.000 264 T HA 0.110 4.459 4.350 -0.001 0.000 0.248 264 T C 0.588 175.358 174.700 0.117 0.000 1.034 264 T CA -0.032 62.177 62.100 0.181 0.000 1.060 264 T CB 0.532 69.474 68.868 0.124 0.000 0.983 264 T HN 0.461 nan 8.240 nan 0.000 0.482 265 S N -0.634 115.123 115.700 0.095 0.000 2.547 265 S HA 0.662 5.132 4.470 -0.001 0.000 0.270 265 S C -2.015 172.628 174.600 0.071 0.000 1.150 265 S CA -0.444 57.801 58.200 0.075 0.000 0.850 265 S CB 1.955 65.193 63.200 0.064 0.000 1.118 265 S HN 0.550 nan 8.310 nan 0.000 0.461 266 V N 2.255 122.210 119.914 0.068 0.000 3.049 266 V HA 0.850 4.970 4.120 -0.001 0.000 0.309 266 V C -1.194 174.943 176.094 0.072 0.000 1.148 266 V CA -0.129 62.211 62.300 0.066 0.000 0.990 266 V CB 2.396 34.254 31.823 0.058 0.000 1.039 266 V HN 1.005 nan 8.190 nan 0.000 0.430 267 T N 6.934 121.528 114.554 0.067 0.000 2.812 267 T HA 0.695 5.044 4.350 -0.001 0.000 0.282 267 T C -0.623 174.121 174.700 0.074 0.000 0.990 267 T CA -0.276 61.867 62.100 0.071 0.000 0.960 267 T CB 1.231 70.130 68.868 0.052 0.000 0.948 267 T HN 0.643 nan 8.240 nan 0.000 0.438 268 M N 2.723 122.392 119.600 0.116 0.000 2.518 268 M HA 0.399 4.878 4.480 -0.001 0.000 0.300 268 M C -0.109 176.287 176.300 0.159 0.000 1.175 268 M CA -1.034 54.331 55.300 0.108 0.000 0.890 268 M CB 2.556 35.223 32.600 0.110 0.000 1.710 268 M HN 0.600 nan 8.290 nan 0.000 0.453 269 Q N 1.441 121.302 119.800 0.102 0.000 2.368 269 Q HA 0.784 5.123 4.340 -0.001 0.000 0.237 269 Q C -1.012 175.146 176.000 0.264 0.000 0.987 269 Q CA -0.769 55.109 55.803 0.124 0.000 0.896 269 Q CB 1.094 29.867 28.738 0.058 0.000 1.241 269 Q HN 0.720 nan 8.270 nan 0.000 0.485 270 A N 0.700 123.660 122.820 0.234 0.000 2.515 270 A HA 0.787 5.106 4.320 -0.001 0.000 0.298 270 A C -0.500 177.161 177.584 0.130 0.000 1.059 270 A CA -0.243 51.992 52.037 0.328 0.000 0.698 270 A CB 1.814 20.947 19.000 0.221 0.000 1.289 270 A HN 0.873 nan 8.150 nan 0.000 0.404 271 G N 0.275 109.131 108.800 0.094 0.000 2.705 271 G HA2 0.778 4.737 3.960 -0.001 0.000 0.299 271 G HA3 0.778 4.737 3.960 -0.001 0.000 0.299 271 G C -2.821 171.996 174.900 -0.138 0.000 1.315 271 G CA -1.866 43.021 45.100 -0.355 0.000 1.045 271 G HN 0.551 nan 8.290 nan 0.000 0.517 272 P HA 0.063 nan 4.420 nan 0.000 0.271 272 P C -0.418 177.047 177.300 0.276 0.000 1.218 272 P CA -0.452 62.684 63.100 0.059 0.000 0.780 272 P CB 1.077 32.814 31.700 0.061 0.000 0.901 273 N N 1.495 120.288 118.700 0.154 0.000 2.354 273 N HA 0.353 5.093 4.740 -0.001 0.000 0.246 273 N C -0.618 175.120 175.510 0.380 0.000 1.285 273 N CA 0.021 53.137 53.050 0.111 0.000 0.925 273 N CB -0.193 38.132 38.487 -0.271 0.000 1.174 273 N HN 0.387 nan 8.380 nan 0.000 0.478 274 F N -1.772 118.372 119.950 0.323 0.000 2.693 274 F HA 0.573 5.099 4.527 -0.001 0.000 0.309 274 F C -0.408 175.545 175.800 0.254 0.000 1.129 274 F CA -1.265 56.934 58.000 0.331 0.000 0.948 274 F CB 0.828 39.958 39.000 0.217 0.000 1.315 274 F HN 0.037 nan 8.300 nan 0.000 0.447 275 R N 1.826 122.408 120.500 0.137 0.000 2.459 275 R HA 0.486 4.825 4.340 -0.001 0.000 0.281 275 R C -1.081 175.188 176.300 -0.052 0.000 1.050 275 R CA -0.516 55.354 56.100 -0.383 0.000 1.055 275 R CB 1.489 31.456 30.300 -0.554 0.000 1.045 275 R HN 0.991 nan 8.270 nan 0.000 0.495 276 Q N 1.099 120.726 119.800 -0.287 0.000 2.309 276 Q HA 0.316 4.655 4.340 -0.001 0.000 0.273 276 Q C -1.265 174.770 176.000 0.059 0.000 1.040 276 Q CA -0.652 55.199 55.803 0.080 0.000 0.834 276 Q CB 2.601 31.489 28.738 0.250 0.000 1.345 276 Q HN 0.483 nan 8.270 nan 0.000 0.414 277 R N 1.677 122.351 120.500 0.290 0.000 2.486 277 R HA 0.644 4.983 4.340 -0.001 0.000 0.286 277 R C -1.565 174.834 176.300 0.166 0.000 0.999 277 R CA -0.320 55.963 56.100 0.304 0.000 0.993 277 R CB 1.479 31.974 30.300 0.326 0.000 1.084 277 R HN 0.686 nan 8.270 nan 0.000 0.487 278 C N 4.230 123.553 119.300 0.038 0.000 2.478 278 C HA 0.386 4.845 4.460 -0.001 0.000 0.334 278 C C -0.986 173.893 174.990 -0.184 0.000 1.106 278 C CA -0.442 58.436 59.018 -0.232 0.000 1.363 278 C CB 1.025 28.574 27.740 -0.318 0.000 1.941 278 C HN 0.850 nan 8.230 nan 0.000 0.436 279 Q N 3.184 122.836 119.800 -0.248 0.000 2.256 279 Q HA 0.553 4.892 4.340 -0.001 0.000 0.257 279 Q C -0.377 175.376 176.000 -0.411 0.000 0.936 279 Q CA -0.128 55.498 55.803 -0.294 0.000 0.903 279 Q CB 2.055 30.619 28.738 -0.289 0.000 1.263 279 Q HN 0.739 nan 8.270 nan 0.000 0.440 280 S N 1.641 117.117 115.700 -0.374 0.000 2.501 280 S HA 0.599 5.068 4.470 -0.001 0.000 0.301 280 S C -1.364 172.987 174.600 -0.415 0.000 1.096 280 S CA -0.544 57.539 58.200 -0.196 0.000 1.063 280 S CB 0.551 63.838 63.200 0.145 0.000 1.042 280 S HN 0.359 nan 8.310 nan 0.000 0.494 281 Y N 0.371 120.697 120.300 0.043 0.000 2.442 281 Y HA 0.428 4.978 4.550 -0.001 0.000 0.344 281 Y C 1.085 177.049 175.900 0.106 0.000 0.976 281 Y CA -0.878 57.238 58.100 0.028 0.000 1.040 281 Y CB 2.024 40.466 38.460 -0.031 0.000 1.228 281 Y HN 0.722 nan 8.280 nan 0.000 0.451 282 T N -3.859 110.831 114.554 0.227 0.000 3.275 282 T HA 0.073 4.422 4.350 -0.001 0.000 0.298 282 T C -0.027 174.845 174.700 0.286 0.000 0.988 282 T CA -0.215 62.046 62.100 0.268 0.000 0.936 282 T CB -0.109 68.805 68.868 0.076 0.000 1.159 282 T HN 0.613 nan 8.240 nan 0.000 0.519 283 D N 1.052 121.580 120.400 0.213 0.000 2.462 283 D HA 0.222 4.861 4.640 -0.001 0.000 0.221 283 D C 0.164 176.520 176.300 0.093 0.000 1.173 283 D CA -0.519 53.574 54.000 0.153 0.000 0.831 283 D CB -0.122 40.756 40.800 0.130 0.000 1.001 283 D HN 0.506 nan 8.370 nan 0.000 0.499 284 I N 1.176 121.791 120.570 0.076 0.000 2.330 284 I HA 0.300 4.469 4.170 -0.001 0.000 0.289 284 I C -2.388 173.689 176.117 -0.066 0.000 1.001 284 I CA -2.343 58.950 61.300 -0.011 0.000 1.193 284 I CB 1.751 39.730 38.000 -0.036 0.000 1.345 284 I HN -0.387 nan 8.210 nan 0.000 0.461 285 P HA -0.088 nan 4.420 nan 0.000 0.267 285 P C 0.808 177.949 177.300 -0.264 0.000 1.200 285 P CA -0.174 62.831 63.100 -0.157 0.000 0.772 285 P CB 0.345 31.925 31.700 -0.200 0.000 0.855 286 W N 4.819 125.875 121.300 -0.406 0.000 2.374 286 W HA -0.139 4.520 4.660 -0.001 0.000 0.288 286 W C 0.896 177.104 176.519 -0.518 0.000 1.218 286 W CA 0.836 57.744 57.345 -0.729 0.000 1.245 286 W CB -1.078 27.738 29.460 -1.074 0.000 1.126 286 W HN 0.308 nan 8.180 nan 0.000 0.545 287 R N 0.927 120.851 120.500 -0.961 0.000 2.189 287 R HA -0.116 4.223 4.340 -0.001 0.000 0.223 287 R C 2.270 178.355 176.300 -0.358 0.000 1.092 287 R CA 1.704 57.329 56.100 -0.793 0.000 0.989 287 R CB -0.334 29.378 30.300 -0.980 0.000 0.876 287 R HN 0.385 nan 8.270 nan 0.000 0.457 288 E N 0.795 120.801 120.200 -0.325 0.000 2.060 288 E HA -0.142 4.207 4.350 -0.001 0.000 0.189 288 E C 1.863 178.371 176.600 -0.153 0.000 0.974 288 E CA 0.442 56.723 56.400 -0.199 0.000 0.808 288 E CB 0.100 29.694 29.700 -0.177 0.000 0.768 288 E HN 0.106 nan 8.360 nan 0.000 0.453 289 L N 0.237 121.307 121.223 -0.255 0.000 2.083 289 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 289 L C 0.997 177.832 176.870 -0.059 0.000 1.083 289 L CA 1.629 56.321 54.840 -0.248 0.000 0.752 289 L CB -0.153 41.558 42.059 -0.581 0.000 0.899 289 L HN 0.154 nan 8.230 nan 0.000 0.433 290 F N 0.047 120.049 119.950 0.088 0.000 2.983 290 F HA 0.467 4.993 4.527 -0.001 0.000 0.307 290 F C 0.958 176.805 175.800 0.078 0.000 1.218 290 F CA -0.608 57.458 58.000 0.110 0.000 1.323 290 F CB -0.457 38.618 39.000 0.125 0.000 0.989 290 F HN 0.054 nan 8.300 nan 0.000 0.509 291 A N 0.806 123.731 122.820 0.174 0.000 2.296 291 A HA 0.508 4.827 4.320 -0.001 0.000 0.264 291 A C -2.232 175.419 177.584 0.112 0.000 1.097 291 A CA -1.401 50.692 52.037 0.092 0.000 0.811 291 A CB -0.009 19.002 19.000 0.018 0.000 1.072 291 A HN 0.069 nan 8.150 nan 0.000 0.495 292 P HA 0.084 nan 4.420 nan 0.000 0.271 292 P C -0.388 176.953 177.300 0.069 0.000 1.233 292 P CA -0.315 62.834 63.100 0.082 0.000 0.789 292 P CB 0.352 32.088 31.700 0.061 0.000 0.951 293 K N 1.338 121.779 120.400 0.068 0.000 2.511 293 K HA 0.083 4.402 4.320 -0.001 0.000 0.280 293 K C 1.098 177.720 176.600 0.037 0.000 1.008 293 K CA 1.165 57.485 56.287 0.056 0.000 1.050 293 K CB -0.894 31.636 32.500 0.050 0.000 0.889 293 K HN 0.765 nan 8.250 nan 0.000 0.484 294 G N 1.950 110.768 108.800 0.030 0.000 2.179 294 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.260 294 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.260 294 G C 0.227 175.128 174.900 0.002 0.000 0.977 294 G CA 0.233 45.342 45.100 0.014 0.000 0.641 294 G HN 0.983 nan 8.290 nan 0.000 0.533 295 A N -0.128 122.696 122.820 0.006 0.000 2.507 295 A HA 0.499 4.819 4.320 -0.001 0.000 0.235 295 A C 0.521 178.087 177.584 -0.030 0.000 1.070 295 A CA 1.073 53.104 52.037 -0.010 0.000 0.768 295 A CB 0.197 19.194 19.000 -0.006 0.000 1.011 295 A HN 0.640 nan 8.150 nan 0.000 0.502 296 D N -0.613 119.763 120.400 -0.040 0.000 2.411 296 D HA 0.543 5.182 4.640 -0.001 0.000 0.251 296 D C 0.746 177.002 176.300 -0.075 0.000 1.201 296 D CA 1.336 55.302 54.000 -0.056 0.000 0.996 296 D CB 0.736 41.506 40.800 -0.049 0.000 1.101 296 D HN 1.378 nan 8.370 nan 0.000 0.504 297 G N 0.216 108.960 108.800 -0.094 0.000 2.610 297 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.304 297 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.304 297 G C -0.808 173.989 174.900 -0.172 0.000 1.309 297 G CA -0.598 44.433 45.100 -0.114 0.000 0.906 297 G HN 0.605 nan 8.290 nan 0.000 0.521 298 R N 1.386 121.777 120.500 -0.182 0.000 3.266 298 R HA 0.417 4.756 4.340 -0.001 0.000 0.224 298 R C 0.945 177.134 176.300 -0.186 0.000 1.525 298 R CA 0.455 56.382 56.100 -0.287 0.000 1.364 298 R CB -0.161 30.036 30.300 -0.170 0.000 1.276 298 R HN 0.775 nan 8.270 nan 0.000 0.660 299 T N -2.636 111.792 114.554 -0.210 0.000 2.922 299 T HA 0.139 4.488 4.350 -0.001 0.000 0.285 299 T C 0.996 175.779 174.700 0.138 0.000 1.005 299 T CA -0.775 61.320 62.100 -0.007 0.000 1.061 299 T CB 0.942 69.819 68.868 0.014 0.000 1.007 299 T HN 0.341 nan 8.240 nan 0.000 0.502 300 F N 1.745 121.813 119.950 0.197 0.000 2.095 300 F HA -0.109 4.417 4.527 -0.001 0.000 0.298 300 F C 2.637 178.574 175.800 0.228 0.000 1.104 300 F CA 2.209 60.397 58.000 0.314 0.000 1.232 300 F CB -0.137 39.067 39.000 0.340 0.000 0.987 300 F HN 0.919 nan 8.300 nan 0.000 0.475 301 E N 0.077 120.521 120.200 0.408 0.000 2.110 301 E HA -0.260 4.089 4.350 -0.001 0.000 0.193 301 E C 1.988 178.654 176.600 0.111 0.000 0.988 301 E CA 1.526 58.079 56.400 0.255 0.000 0.804 301 E CB -0.550 29.252 29.700 0.169 0.000 0.745 301 E HN 0.417 nan 8.360 nan 0.000 0.458 302 K N -0.007 120.391 120.400 -0.005 0.000 2.097 302 K HA -0.051 4.268 4.320 -0.001 0.000 0.205 302 K C 1.876 178.386 176.600 -0.149 0.000 1.050 302 K CA 1.442 57.649 56.287 -0.133 0.000 0.938 302 K CB -0.213 32.121 32.500 -0.276 0.000 0.718 302 K HN 0.139 nan 8.250 nan 0.000 0.442 303 F N 0.324 120.238 119.950 -0.061 0.000 2.146 303 F HA -0.214 4.312 4.527 -0.001 0.000 0.298 303 F C 2.241 178.012 175.800 -0.048 0.000 1.096 303 F CA 0.658 58.600 58.000 -0.095 0.000 1.275 303 F CB -0.222 38.648 39.000 -0.216 0.000 1.008 303 F HN -0.212 nan 8.300 nan 0.000 0.480 304 V N -0.200 119.808 119.914 0.157 0.000 2.427 304 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 304 V C 2.470 178.622 176.094 0.098 0.000 1.051 304 V CA 1.733 64.117 62.300 0.139 0.000 1.048 304 V CB -1.136 30.809 31.823 0.202 0.000 0.666 304 V HN 0.361 nan 8.190 nan 0.000 0.456 305 A N -0.451 122.414 122.820 0.074 0.000 1.898 305 A HA -0.237 4.082 4.320 -0.001 0.000 0.216 305 A C 2.289 179.895 177.584 0.037 0.000 1.181 305 A CA 1.883 53.945 52.037 0.041 0.000 0.620 305 A CB -0.386 18.627 19.000 0.022 0.000 0.819 305 A HN 0.614 nan 8.150 nan 0.000 0.442 306 E N -0.871 119.355 120.200 0.043 0.000 2.112 306 E HA -0.049 4.300 4.350 -0.001 0.000 0.190 306 E C 1.515 178.169 176.600 0.089 0.000 0.979 306 E CA 1.235 57.666 56.400 0.052 0.000 0.814 306 E CB 0.141 29.862 29.700 0.035 0.000 0.762 306 E HN 0.526 nan 8.360 nan 0.000 0.460 307 S N -1.863 113.911 115.700 0.124 0.000 2.593 307 S HA 0.307 4.777 4.470 -0.001 0.000 0.235 307 S C 1.044 175.723 174.600 0.131 0.000 1.059 307 S CA 0.239 58.526 58.200 0.146 0.000 0.953 307 S CB 1.469 64.788 63.200 0.199 0.000 0.897 307 S HN 0.536 nan 8.310 nan 0.000 0.507 308 G N 1.488 110.354 108.800 0.110 0.000 3.757 308 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.215 308 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.215 308 G C 0.364 175.346 174.900 0.137 0.000 1.411 308 G CA -0.233 44.911 45.100 0.072 0.000 0.896 308 G HN 0.901 nan 8.290 nan 0.000 0.581 309 G N 0.604 109.538 108.800 0.224 0.000 2.353 309 G HA2 0.813 4.773 3.960 -0.001 0.000 0.284 309 G HA3 0.813 4.773 3.960 -0.001 0.000 0.284 309 G C -0.213 174.964 174.900 0.462 0.000 1.172 309 G CA 0.936 46.237 45.100 0.335 0.000 0.854 309 G HN 1.891 nan 8.290 nan 0.000 0.485 310 A N 2.151 125.232 122.820 0.435 0.000 2.577 310 A HA 0.795 5.114 4.320 -0.001 0.000 0.297 310 A C -0.963 176.849 177.584 0.380 0.000 1.060 310 A CA -0.671 51.511 52.037 0.242 0.000 0.697 310 A CB 1.888 20.743 19.000 -0.242 0.000 1.281 310 A HN 0.776 nan 8.150 nan 0.000 0.402 311 E N 0.971 121.326 120.200 0.260 0.000 2.321 311 E HA 0.640 4.989 4.350 -0.001 0.000 0.281 311 E C -1.023 175.681 176.600 0.174 0.000 0.910 311 E CA -0.563 56.040 56.400 0.338 0.000 0.770 311 E CB 1.943 31.865 29.700 0.370 0.000 1.225 311 E HN 1.344 nan 8.360 nan 0.000 0.417 312 A N 5.020 128.070 122.820 0.382 0.000 2.330 312 A HA 0.713 5.033 4.320 -0.001 0.000 0.327 312 A C -0.826 176.913 177.584 0.258 0.000 1.155 312 A CA -0.642 51.606 52.037 0.352 0.000 0.803 312 A CB 0.688 20.121 19.000 0.721 0.000 1.208 312 A HN 0.613 nan 8.150 nan 0.000 0.477 313 I N 2.015 122.692 120.570 0.178 0.000 2.411 313 I HA 0.235 4.404 4.170 -0.001 0.000 0.284 313 I C -1.361 174.867 176.117 0.185 0.000 1.012 313 I CA -0.128 61.226 61.300 0.090 0.000 1.119 313 I CB 1.442 39.423 38.000 -0.032 0.000 1.261 313 I HN 0.787 nan 8.210 nan 0.000 0.448 314 W N 9.042 130.309 121.300 -0.054 0.000 2.299 314 W HA 0.440 5.099 4.660 -0.001 0.000 0.319 314 W C -1.077 175.376 176.519 -0.110 0.000 1.008 314 W CA -1.401 55.949 57.345 0.009 0.000 1.384 314 W CB 0.278 29.824 29.460 0.144 0.000 1.220 314 W HN 0.300 nan 8.180 nan 0.000 0.402 315 Y N 7.290 127.735 120.300 0.240 0.000 2.480 315 Y HA 0.138 4.687 4.550 -0.001 0.000 0.338 315 Y C -1.058 174.715 175.900 -0.211 0.000 1.220 315 Y CA -1.467 56.655 58.100 0.037 0.000 1.430 315 Y CB 0.060 38.595 38.460 0.125 0.000 1.311 315 Y HN 0.263 nan 8.280 nan 0.000 0.575 316 P HA -0.077 nan 4.420 nan 0.000 0.268 316 P C -0.565 176.717 177.300 -0.031 0.000 1.204 316 P CA 0.271 63.233 63.100 -0.231 0.000 0.768 316 P CB 0.166 31.831 31.700 -0.059 0.000 0.842 317 F N -1.076 118.822 119.950 -0.087 0.000 3.091 317 F HA -0.221 4.305 4.527 -0.001 0.000 0.288 317 F C 0.870 176.717 175.800 0.078 0.000 0.907 317 F CA 1.190 59.201 58.000 0.018 0.000 1.028 317 F CB -2.605 36.423 39.000 0.047 0.000 1.022 317 F HN 0.415 nan 8.300 nan 0.000 0.665 318 T N -4.213 110.464 114.554 0.206 0.000 2.924 318 T HA 0.563 4.912 4.350 -0.001 0.000 0.291 318 T C 0.767 175.710 174.700 0.405 0.000 1.045 318 T CA -0.862 61.383 62.100 0.243 0.000 1.015 318 T CB 2.552 71.549 68.868 0.216 0.000 1.103 318 T HN 0.015 nan 8.240 nan 0.000 0.496 319 E N 0.648 120.988 120.200 0.234 0.000 2.250 319 E HA 0.153 4.502 4.350 -0.001 0.000 0.192 319 E C -0.050 176.702 176.600 0.253 0.000 0.986 319 E CA 0.765 57.355 56.400 0.317 0.000 0.849 319 E CB 0.239 30.014 29.700 0.126 0.000 0.797 319 E HN 0.620 nan 8.360 nan 0.000 0.482 320 K N 0.978 121.398 120.400 0.033 0.000 2.471 320 K HA 0.387 4.706 4.320 -0.001 0.000 0.252 320 K C -2.708 174.009 176.600 0.195 0.000 0.938 320 K CA -1.952 54.356 56.287 0.035 0.000 0.796 320 K CB 2.444 34.944 32.500 0.001 0.000 1.161 320 K HN -0.177 nan 8.250 nan 0.000 0.425 321 P HA 0.088 nan 4.420 nan 0.000 0.277 321 P C -1.209 176.368 177.300 0.461 0.000 1.271 321 P CA -0.521 62.794 63.100 0.359 0.000 0.795 321 P CB 0.408 32.221 31.700 0.188 0.000 1.101 322 W N 3.001 124.454 121.300 0.256 0.000 2.283 322 W HA 0.571 5.231 4.660 -0.001 0.000 0.317 322 W C -1.440 175.127 176.519 0.080 0.000 1.042 322 W CA -1.217 56.226 57.345 0.163 0.000 1.348 322 W CB -0.111 29.446 29.460 0.162 0.000 1.216 322 W HN 0.136 nan 8.180 nan 0.000 0.404 323 M N 6.530 126.310 119.600 0.301 0.000 2.180 323 M HA 0.419 4.898 4.480 -0.001 0.000 0.350 323 M C -1.023 175.195 176.300 -0.136 0.000 1.125 323 M CA 0.014 55.317 55.300 0.005 0.000 1.031 323 M CB 0.986 33.547 32.600 -0.064 0.000 1.623 323 M HN 0.344 nan 8.290 nan 0.000 0.451 324 K N 3.818 123.981 120.400 -0.396 0.000 2.221 324 K HA 0.761 5.080 4.320 -0.001 0.000 0.258 324 K C -1.570 174.661 176.600 -0.615 0.000 0.944 324 K CA -0.898 55.019 56.287 -0.618 0.000 0.823 324 K CB 2.123 34.017 32.500 -1.009 0.000 1.113 324 K HN 0.540 nan 8.250 nan 0.000 0.431 325 V N 2.917 122.485 119.914 -0.576 0.000 2.525 325 V HA 0.357 4.477 4.120 -0.001 0.000 0.299 325 V C -0.893 175.061 176.094 -0.234 0.000 1.034 325 V CA -1.019 61.100 62.300 -0.302 0.000 0.863 325 V CB 1.467 33.182 31.823 -0.182 0.000 0.999 325 V HN 0.722 nan 8.190 nan 0.000 0.423 326 W N 2.370 123.691 121.300 0.036 0.000 2.433 326 W HA 0.612 5.271 4.660 -0.001 0.000 0.315 326 W C -0.210 176.375 176.519 0.110 0.000 1.087 326 W CA -0.432 56.962 57.345 0.082 0.000 1.205 326 W CB 2.236 31.753 29.460 0.096 0.000 1.288 326 W HN 0.401 nan 8.180 nan 0.000 0.504 327 T N 2.035 116.787 114.554 0.329 0.000 2.841 327 T HA 0.283 4.632 4.350 -0.001 0.000 0.285 327 T C -0.266 174.597 174.700 0.272 0.000 0.991 327 T CA -0.584 61.670 62.100 0.257 0.000 0.966 327 T CB 2.075 71.067 68.868 0.207 0.000 0.962 327 T HN -0.004 nan 8.240 nan 0.000 0.438 328 V N 3.191 123.242 119.914 0.228 0.000 2.614 328 V HA 0.242 4.361 4.120 -0.001 0.000 0.291 328 V C 0.783 177.016 176.094 0.231 0.000 1.049 328 V CA -0.321 62.121 62.300 0.236 0.000 1.038 328 V CB 1.307 33.188 31.823 0.097 0.000 0.980 328 V HN 0.992 nan 8.190 nan 0.000 0.481 329 S N 6.186 122.061 115.700 0.292 0.000 2.565 329 S HA 0.351 4.820 4.470 -0.001 0.000 0.276 329 S C -1.469 173.257 174.600 0.210 0.000 1.326 329 S CA -0.643 57.730 58.200 0.289 0.000 1.045 329 S CB 0.730 64.198 63.200 0.446 0.000 0.918 329 S HN 0.816 nan 8.310 nan 0.000 0.505 348 L N 1.394 122.672 121.223 0.091 0.000 2.653 348 L HA 0.352 4.692 4.340 -0.001 0.000 0.231 348 L C 0.243 177.084 176.870 -0.050 0.000 1.153 348 L CA -0.210 54.644 54.840 0.024 0.000 0.933 348 L CB 0.441 42.450 42.059 -0.082 0.000 1.175 348 L HN 0.317 nan 8.230 nan 0.000 0.473 349 V N 1.662 121.607 119.914 0.051 0.000 2.475 349 V HA 0.127 4.246 4.120 -0.001 0.000 0.292 349 V C 1.387 177.525 176.094 0.073 0.000 1.003 349 V CA 1.281 63.606 62.300 0.042 0.000 1.120 349 V CB -0.078 31.792 31.823 0.079 0.000 0.937 349 V HN 0.711 nan 8.190 nan 0.000 0.476 350 G N 3.846 112.633 108.800 -0.021 0.000 2.195 350 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.224 350 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.224 350 G C 0.366 175.129 174.900 -0.228 0.000 0.990 350 G CA 0.159 45.264 45.100 0.009 0.000 0.639 350 G HN 0.711 nan 8.290 nan 0.000 0.514 351 K N 1.754 121.737 120.400 -0.696 0.000 2.379 351 K HA 0.437 4.756 4.320 -0.001 0.000 0.284 351 K C -2.223 173.941 176.600 -0.727 0.000 1.044 351 K CA -1.415 53.983 56.287 -1.482 0.000 0.974 351 K CB 0.570 31.949 32.500 -1.868 0.000 0.962 351 K HN 0.041 nan 8.250 nan 0.000 0.474 352 P HA 0.044 nan 4.420 nan 0.000 0.267 352 P C -2.301 174.848 177.300 -0.252 0.000 1.205 352 P CA -1.157 61.777 63.100 -0.278 0.000 0.765 352 P CB 0.688 32.289 31.700 -0.165 0.000 0.828 353 P HA -0.226 nan 4.420 nan 0.000 0.217 353 P C 0.934 178.170 177.300 -0.107 0.000 1.151 353 P CA 1.660 64.680 63.100 -0.133 0.000 0.849 353 P CB -0.042 31.605 31.700 -0.089 0.000 0.787 354 Q N -1.160 118.589 119.800 -0.086 0.000 2.432 354 Q HA 0.181 4.520 4.340 -0.001 0.000 0.205 354 Q C 0.822 176.789 176.000 -0.055 0.000 0.945 354 Q CA 0.324 56.092 55.803 -0.058 0.000 0.924 354 Q CB -0.388 28.328 28.738 -0.038 0.000 1.016 354 Q HN 0.154 nan 8.270 nan 0.000 0.503 355 A N 1.265 124.036 122.820 -0.081 0.000 2.327 355 A HA 0.447 4.766 4.320 -0.001 0.000 0.283 355 A C -0.411 177.160 177.584 -0.022 0.000 1.127 355 A CA -0.559 51.455 52.037 -0.040 0.000 0.810 355 A CB 0.439 19.421 19.000 -0.031 0.000 1.066 355 A HN 0.233 nan 8.150 nan 0.000 0.492 356 R N 1.941 122.461 120.500 0.033 0.000 2.221 356 R HA 0.236 4.575 4.340 -0.001 0.000 0.327 356 R C -0.116 176.252 176.300 0.114 0.000 1.033 356 R CA -0.253 55.875 56.100 0.047 0.000 0.887 356 R CB 0.529 30.855 30.300 0.042 0.000 1.057 356 R HN 0.843 nan 8.270 nan 0.000 0.455 357 E N 4.223 124.501 120.200 0.129 0.000 2.316 357 E HA 0.138 4.487 4.350 -0.001 0.000 0.275 357 E C -0.696 175.976 176.600 0.120 0.000 1.029 357 E CA -0.575 55.961 56.400 0.227 0.000 0.871 357 E CB 0.956 30.802 29.700 0.242 0.000 1.022 357 E HN 0.457 nan 8.360 nan 0.000 0.418 358 V N 1.307 121.270 119.914 0.082 0.000 2.815 358 V HA 0.502 4.621 4.120 -0.001 0.000 0.314 358 V C 0.071 176.166 176.094 0.002 0.000 1.064 358 V CA -0.622 61.694 62.300 0.027 0.000 0.952 358 V CB 1.984 33.806 31.823 -0.001 0.000 1.020 358 V HN 0.597 nan 8.190 nan 0.000 0.439 359 S N 1.553 117.264 115.700 0.018 0.000 2.749 359 S HA 0.678 5.147 4.470 -0.001 0.000 0.246 359 S C 0.359 174.980 174.600 0.036 0.000 1.023 359 S CA 0.263 58.485 58.200 0.036 0.000 1.012 359 S CB 0.349 63.581 63.200 0.054 0.000 0.942 359 S HN 1.498 nan 8.310 nan 0.000 0.531 360 G N 2.212 111.020 108.800 0.012 0.000 2.677 360 G HA2 0.612 4.571 3.960 -0.001 0.000 0.291 360 G HA3 0.612 4.571 3.960 -0.001 0.000 0.291 360 G C -3.475 171.403 174.900 -0.038 0.000 1.435 360 G CA -1.218 43.887 45.100 0.008 0.000 0.826 360 G HN -0.077 nan 8.290 nan 0.000 0.491 361 P HA 0.315 nan 4.420 nan 0.000 0.293 361 P C -0.866 176.291 177.300 -0.239 0.000 1.304 361 P CA -0.305 62.616 63.100 -0.299 0.000 0.767 361 P CB 0.526 31.873 31.700 -0.589 0.000 1.247 362 Y N -2.062 118.277 120.300 0.065 0.000 3.018 362 Y HA -0.161 4.388 4.550 -0.001 0.000 0.181 362 Y C 1.048 176.905 175.900 -0.073 0.000 1.542 362 Y CA -0.060 58.054 58.100 0.024 0.000 0.975 362 Y CB -2.989 35.485 38.460 0.023 0.000 1.379 362 Y HN 0.346 nan 8.280 nan 0.000 0.423 363 N N 0.034 118.632 118.700 -0.169 0.000 2.314 363 N HA 0.038 4.778 4.740 -0.001 0.000 0.200 363 N C -0.459 174.837 175.510 -0.356 0.000 1.135 363 N CA 0.415 53.300 53.050 -0.275 0.000 0.835 363 N CB 0.172 38.462 38.487 -0.329 0.000 0.989 363 N HN 0.581 nan 8.380 nan 0.000 0.478 364 Y N 0.860 121.172 120.300 0.021 0.000 2.902 364 Y HA 0.290 4.839 4.550 -0.001 0.000 0.353 364 Y C 1.375 176.969 175.900 -0.510 0.000 1.116 364 Y CA -0.800 57.086 58.100 -0.358 0.000 1.222 364 Y CB 0.382 38.697 38.460 -0.242 0.000 1.302 364 Y HN -0.128 nan 8.280 nan 0.000 0.590 365 I N 0.445 120.918 120.570 -0.162 0.000 2.335 365 I HA -0.327 3.842 4.170 -0.001 0.000 0.251 365 I C 2.163 178.245 176.117 -0.058 0.000 1.129 365 I CA 1.526 62.795 61.300 -0.052 0.000 1.402 365 I CB -1.163 36.868 38.000 0.051 0.000 1.069 365 I HN 0.537 nan 8.210 nan 0.000 0.424 366 F N 1.705 121.737 119.950 0.137 0.000 2.365 366 F HA -0.079 4.447 4.527 -0.001 0.000 0.300 366 F C 2.439 178.309 175.800 0.117 0.000 1.090 366 F CA 0.924 58.974 58.000 0.082 0.000 1.408 366 F CB -1.556 37.447 39.000 0.006 0.000 1.060 366 F HN 0.096 nan 8.300 nan 0.000 0.534 367 S N -0.915 114.668 115.700 -0.195 0.000 2.456 367 S HA -0.036 4.433 4.470 -0.001 0.000 0.224 367 S C 1.242 175.939 174.600 0.162 0.000 1.035 367 S CA 0.488 58.767 58.200 0.131 0.000 0.940 367 S CB -0.540 62.782 63.200 0.203 0.000 0.799 367 S HN 0.383 nan 8.310 nan 0.000 0.508 368 D N 2.461 122.916 120.400 0.092 0.000 2.340 368 D HA 0.180 4.819 4.640 -0.001 0.000 0.220 368 D C -0.405 175.953 176.300 0.098 0.000 1.039 368 D CA 0.251 54.316 54.000 0.108 0.000 0.866 368 D CB -0.072 40.767 40.800 0.064 0.000 0.913 368 D HN 0.445 nan 8.370 nan 0.000 0.523 369 N N 0.883 119.647 118.700 0.106 0.000 2.599 369 N HA 0.206 4.945 4.740 -0.001 0.000 0.283 369 N C -0.881 174.701 175.510 0.120 0.000 1.160 369 N CA -0.270 52.840 53.050 0.099 0.000 0.869 369 N CB 2.062 40.596 38.487 0.078 0.000 1.448 369 N HN -0.056 nan 8.380 nan 0.000 0.535 370 L N 2.322 123.616 121.223 0.117 0.000 2.334 370 L HA 0.609 4.948 4.340 -0.001 0.000 0.275 370 L C -1.514 175.409 176.870 0.087 0.000 1.036 370 L CA -1.509 53.402 54.840 0.118 0.000 0.807 370 L CB 1.083 43.226 42.059 0.140 0.000 1.231 370 L HN 0.268 nan 8.230 nan 0.000 0.438 371 P HA 0.075 nan 4.420 nan 0.000 0.275 371 P C 0.199 177.529 177.300 0.050 0.000 1.266 371 P CA -0.449 62.684 63.100 0.055 0.000 0.793 371 P CB 1.089 32.815 31.700 0.044 0.000 1.074 372 E N 0.304 120.526 120.200 0.035 0.000 2.058 372 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 372 E C -0.824 175.793 176.600 0.029 0.000 0.997 372 E CA 1.591 58.008 56.400 0.027 0.000 0.801 372 E CB -1.362 28.348 29.700 0.017 0.000 0.746 372 E HN 0.324 nan 8.360 nan 0.000 0.450 373 P HA -0.180 nan 4.420 nan 0.000 0.217 373 P C 1.118 178.451 177.300 0.055 0.000 1.148 373 P CA 1.147 64.265 63.100 0.031 0.000 0.828 373 P CB 0.034 31.749 31.700 0.026 0.000 0.783 374 I N -0.758 119.860 120.570 0.079 0.000 2.277 374 I HA -0.127 4.042 4.170 -0.001 0.000 0.243 374 I C 2.183 178.373 176.117 0.121 0.000 1.094 374 I CA 2.170 63.557 61.300 0.145 0.000 1.393 374 I CB -2.122 35.972 38.000 0.156 0.000 1.078 374 I HN 0.113 nan 8.210 nan 0.000 0.417 375 T N -1.477 113.124 114.554 0.077 0.000 2.833 375 T HA -0.144 4.205 4.350 -0.001 0.000 0.269 375 T C 1.486 176.188 174.700 0.003 0.000 1.054 375 T CA 1.209 63.335 62.100 0.043 0.000 1.135 375 T CB -0.328 68.561 68.868 0.035 0.000 0.869 375 T HN 0.170 nan 8.240 nan 0.000 0.466 376 D N 1.061 121.463 120.400 0.004 0.000 2.149 376 D HA 0.071 4.710 4.640 -0.001 0.000 0.201 376 D C 2.113 178.384 176.300 -0.048 0.000 0.972 376 D CA 0.907 54.895 54.000 -0.019 0.000 0.835 376 D CB -0.285 40.508 40.800 -0.011 0.000 0.966 376 D HN 0.423 nan 8.370 nan 0.000 0.476 377 M N 0.040 119.614 119.600 -0.042 0.000 2.132 377 M HA -0.089 4.390 4.480 -0.001 0.000 0.263 377 M C 2.289 178.444 176.300 -0.241 0.000 1.065 377 M CA 1.058 56.293 55.300 -0.109 0.000 1.122 377 M CB -0.149 32.432 32.600 -0.032 0.000 1.365 377 M HN -0.025 nan 8.290 nan 0.000 0.411 378 I N -0.120 120.307 120.570 -0.239 0.000 2.226 378 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 378 I C 2.597 178.609 176.117 -0.175 0.000 1.100 378 I CA 1.456 62.588 61.300 -0.280 0.000 1.374 378 I CB -0.972 36.945 38.000 -0.137 0.000 1.057 378 I HN 0.374 nan 8.210 nan 0.000 0.413 379 G N 0.441 109.175 108.800 -0.111 0.000 2.418 379 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 379 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 379 G C 1.845 176.689 174.900 -0.093 0.000 1.158 379 G CA 0.830 45.879 45.100 -0.085 0.000 0.771 379 G HN 0.498 nan 8.290 nan 0.000 0.545 380 A N 0.554 123.311 122.820 -0.104 0.000 1.930 380 A HA 0.140 4.459 4.320 -0.001 0.000 0.217 380 A C 2.382 179.895 177.584 -0.119 0.000 1.175 380 A CA 1.020 52.998 52.037 -0.099 0.000 0.627 380 A CB -0.280 18.663 19.000 -0.095 0.000 0.815 380 A HN 0.373 nan 8.150 nan 0.000 0.443 381 I N 0.177 120.648 120.570 -0.165 0.000 2.179 381 I HA -0.260 3.909 4.170 -0.001 0.000 0.242 381 I C 1.915 177.956 176.117 -0.127 0.000 1.088 381 I CA 1.184 62.381 61.300 -0.172 0.000 1.357 381 I CB -0.444 37.399 38.000 -0.262 0.000 1.051 381 I HN 0.304 nan 8.210 nan 0.000 0.409 382 N N 1.138 119.765 118.700 -0.121 0.000 2.289 382 N HA -0.099 4.641 4.740 -0.001 0.000 0.184 382 N C 1.580 177.047 175.510 -0.073 0.000 1.016 382 N CA 1.337 54.333 53.050 -0.091 0.000 0.872 382 N CB -0.202 38.236 38.487 -0.083 0.000 0.973 382 N HN 0.331 nan 8.380 nan 0.000 0.433 383 A N -0.215 122.561 122.820 -0.073 0.000 2.238 383 A HA 0.411 4.730 4.320 -0.001 0.000 0.208 383 A C 1.278 178.830 177.584 -0.055 0.000 1.177 383 A CA 0.688 52.690 52.037 -0.058 0.000 0.804 383 A CB -0.231 18.735 19.000 -0.056 0.000 0.823 383 A HN 0.293 nan 8.150 nan 0.000 0.482 384 G N -0.494 108.269 108.800 -0.061 0.000 2.145 384 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.176 384 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.176 384 G C -0.355 174.512 174.900 -0.056 0.000 1.013 384 G CA -0.084 44.984 45.100 -0.053 0.000 0.689 384 G HN 0.400 nan 8.290 nan 0.000 0.506 385 N N 1.005 119.660 118.700 -0.074 0.000 2.990 385 N HA 0.237 4.976 4.740 -0.001 0.000 0.288 385 N C -1.640 173.805 175.510 -0.108 0.000 1.624 385 N CA -0.887 52.112 53.050 -0.086 0.000 0.961 385 N CB 1.815 40.244 38.487 -0.096 0.000 1.259 385 N HN 0.238 nan 8.380 nan 0.000 0.489 386 P HA -0.069 nan 4.420 nan 0.000 0.225 386 P C 1.354 178.555 177.300 -0.166 0.000 1.148 386 P CA 0.738 63.802 63.100 -0.059 0.000 0.779 386 P CB 0.220 31.938 31.700 0.030 0.000 0.780 387 G N 0.252 108.906 108.800 -0.243 0.000 2.625 387 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.214 387 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.214 387 G C 1.423 175.944 174.900 -0.632 0.000 1.132 387 G CA -0.044 44.675 45.100 -0.634 0.000 0.782 387 G HN 0.281 nan 8.290 nan 0.000 0.538 388 I N 0.869 121.221 120.570 -0.362 0.000 3.111 388 I HA -0.048 4.121 4.170 -0.001 0.000 0.272 388 I C 3.040 179.041 176.117 -0.193 0.000 1.268 388 I CA 0.333 61.483 61.300 -0.250 0.000 1.467 388 I CB -0.013 37.881 38.000 -0.176 0.000 1.087 388 I HN 0.223 nan 8.210 nan 0.000 0.467 389 A N 2.192 124.871 122.820 -0.235 0.000 1.915 389 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 389 A C -0.109 177.494 177.584 0.033 0.000 1.198 389 A CA 2.042 54.098 52.037 0.031 0.000 0.647 389 A CB -2.030 17.076 19.000 0.176 0.000 0.825 389 A HN 0.282 nan 8.150 nan 0.000 0.456 390 P HA -0.042 nan 4.420 nan 0.000 0.228 390 P C 1.058 178.286 177.300 -0.121 0.000 1.151 390 P CA 0.780 63.593 63.100 -0.478 0.000 0.770 390 P CB -0.016 31.235 31.700 -0.749 0.000 0.786 391 L N -3.571 117.613 121.223 -0.065 0.000 2.425 391 L HA 0.110 4.449 4.340 -0.001 0.000 0.215 391 L C 2.125 179.067 176.870 0.119 0.000 1.065 391 L CA 0.314 55.161 54.840 0.012 0.000 0.842 391 L CB -0.631 41.416 42.059 -0.020 0.000 1.033 391 L HN -0.114 nan 8.230 nan 0.000 0.474 392 F N 1.575 121.516 119.950 -0.015 0.000 2.102 392 F HA -0.056 4.471 4.527 -0.001 0.000 0.298 392 F C 2.179 178.011 175.800 0.055 0.000 1.105 392 F CA 1.439 59.450 58.000 0.018 0.000 1.239 392 F CB -0.728 38.289 39.000 0.028 0.000 0.991 392 F HN -0.029 nan 8.300 nan 0.000 0.474 393 G N 0.508 109.348 108.800 0.067 0.000 2.459 393 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.217 393 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.217 393 G C -0.632 174.264 174.900 -0.006 0.000 1.183 393 G CA 0.972 46.085 45.100 0.023 0.000 0.776 393 G HN 0.287 nan 8.290 nan 0.000 0.552 394 P HA -0.026 nan 4.420 nan 0.000 0.216 394 P C 2.202 179.532 177.300 0.050 0.000 1.150 394 P CA 1.926 65.089 63.100 0.106 0.000 0.837 394 P CB -0.125 31.634 31.700 0.098 0.000 0.786 395 A N -0.972 121.831 122.820 -0.027 0.000 1.902 395 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 395 A C 2.116 179.585 177.584 -0.191 0.000 1.181 395 A CA 1.785 53.786 52.037 -0.061 0.000 0.623 395 A CB -1.386 17.617 19.000 0.005 0.000 0.818 395 A HN 0.041 nan 8.150 nan 0.000 0.443 396 M N -1.896 117.456 119.600 -0.413 0.000 2.175 396 M HA -0.096 4.383 4.480 -0.001 0.000 0.264 396 M C 2.186 178.115 176.300 -0.619 0.000 1.063 396 M CA 1.440 56.337 55.300 -0.671 0.000 1.119 396 M CB -1.359 30.478 32.600 -1.272 0.000 1.377 396 M HN 0.669 nan 8.290 nan 0.000 0.415 397 Y N 1.822 121.813 120.300 -0.515 0.000 2.145 397 Y HA -0.203 4.346 4.550 -0.001 0.000 0.286 397 Y C 2.201 177.997 175.900 -0.174 0.000 1.145 397 Y CA 1.727 59.722 58.100 -0.175 0.000 1.148 397 Y CB -0.157 38.334 38.460 0.051 0.000 0.981 397 Y HN 0.189 nan 8.280 nan 0.000 0.507 398 E N 0.303 120.372 120.200 -0.219 0.000 2.077 398 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 398 E C 2.307 178.689 176.600 -0.363 0.000 0.989 398 E CA 1.132 57.365 56.400 -0.279 0.000 0.800 398 E CB -0.340 29.315 29.700 -0.075 0.000 0.746 398 E HN 0.483 nan 8.360 nan 0.000 0.452 399 I N 1.287 121.674 120.570 -0.306 0.000 2.226 399 I HA -0.212 3.957 4.170 -0.001 0.000 0.245 399 I C 2.154 177.946 176.117 -0.542 0.000 1.100 399 I CA 1.284 62.410 61.300 -0.290 0.000 1.374 399 I CB -1.351 36.561 38.000 -0.147 0.000 1.057 399 I HN 0.083 nan 8.210 nan 0.000 0.413 400 T N 0.503 114.673 114.554 -0.640 0.000 2.701 400 T HA -0.206 4.143 4.350 -0.001 0.000 0.263 400 T C 1.984 175.997 174.700 -1.146 0.000 1.040 400 T CA 1.517 62.992 62.100 -1.043 0.000 1.147 400 T CB -0.109 68.342 68.868 -0.694 0.000 0.865 400 T HN 0.285 nan 8.240 nan 0.000 0.426 401 K N 0.532 120.391 120.400 -0.902 0.000 2.032 401 K HA -0.100 4.219 4.320 -0.001 0.000 0.209 401 K C 2.322 178.596 176.600 -0.545 0.000 1.048 401 K CA 1.235 57.093 56.287 -0.717 0.000 0.927 401 K CB -0.339 31.729 32.500 -0.720 0.000 0.712 401 K HN 0.175 nan 8.250 nan 0.000 0.441 402 L N 0.769 121.703 121.223 -0.481 0.000 2.056 402 L HA 0.011 4.350 4.340 -0.001 0.000 0.207 402 L C 2.137 178.787 176.870 -0.365 0.000 1.078 402 L CA 2.231 56.870 54.840 -0.334 0.000 0.749 402 L CB -0.912 41.000 42.059 -0.244 0.000 0.901 402 L HN 0.296 nan 8.230 nan 0.000 0.433 403 G N -0.400 108.047 108.800 -0.588 0.000 2.402 403 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 403 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 403 G C 1.610 176.244 174.900 -0.445 0.000 1.162 403 G CA 0.994 45.755 45.100 -0.566 0.000 0.777 403 G HN 0.424 nan 8.290 nan 0.000 0.539 404 L N 0.651 121.431 121.223 -0.738 0.000 2.042 404 L HA -0.093 4.246 4.340 -0.001 0.000 0.210 404 L C 3.388 180.178 176.870 -0.133 0.000 1.076 404 L CA 1.119 55.792 54.840 -0.278 0.000 0.749 404 L CB -0.329 41.485 42.059 -0.408 0.000 0.893 404 L HN 0.322 nan 8.230 nan 0.000 0.432 405 A N -0.196 122.507 122.820 -0.194 0.000 1.854 405 A HA -0.108 4.212 4.320 -0.001 0.000 0.214 405 A C 2.526 180.071 177.584 -0.065 0.000 1.192 405 A CA 1.499 53.467 52.037 -0.115 0.000 0.611 405 A CB -0.820 18.102 19.000 -0.130 0.000 0.832 405 A HN 0.368 nan 8.150 nan 0.000 0.442 406 A N -0.336 122.441 122.820 -0.071 0.000 1.940 406 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 406 A C 2.242 179.834 177.584 0.015 0.000 1.176 406 A CA 2.468 54.489 52.037 -0.027 0.000 0.631 406 A CB -1.196 17.787 19.000 -0.028 0.000 0.814 406 A HN 0.849 nan 8.150 nan 0.000 0.446 407 T N -3.802 110.781 114.554 0.048 0.000 3.122 407 T HA 0.162 4.511 4.350 -0.001 0.000 0.250 407 T C 0.354 175.100 174.700 0.076 0.000 1.067 407 T CA 0.373 62.526 62.100 0.088 0.000 0.966 407 T CB -0.929 68.041 68.868 0.170 0.000 1.002 407 T HN 0.608 nan 8.240 nan 0.000 0.542 408 N N 0.744 119.471 118.700 0.046 0.000 2.725 408 N HA -0.175 4.565 4.740 -0.001 0.000 0.251 408 N C 0.431 175.980 175.510 0.066 0.000 1.031 408 N CA 0.136 53.207 53.050 0.035 0.000 0.720 408 N CB -0.933 37.569 38.487 0.025 0.000 0.930 408 N HN 0.666 nan 8.380 nan 0.000 0.543 409 A N -0.609 122.278 122.820 0.113 0.000 2.503 409 A HA 0.197 4.516 4.320 -0.001 0.000 0.263 409 A C 1.462 179.165 177.584 0.199 0.000 1.258 409 A CA -0.308 51.843 52.037 0.191 0.000 0.936 409 A CB 0.242 19.453 19.000 0.352 0.000 1.070 409 A HN 0.329 nan 8.150 nan 0.000 0.522 410 N N 0.662 119.403 118.700 0.067 0.000 2.409 410 N HA -0.059 4.680 4.740 -0.001 0.000 0.179 410 N C -0.605 174.872 175.510 -0.054 0.000 1.032 410 N CA 0.897 53.938 53.050 -0.016 0.000 0.898 410 N CB 0.262 38.693 38.487 -0.094 0.000 0.971 410 N HN 0.441 nan 8.380 nan 0.000 0.441 411 D N 0.540 120.933 120.400 -0.011 0.000 2.330 411 D HA 0.224 4.863 4.640 -0.001 0.000 0.249 411 D C -0.652 175.671 176.300 0.039 0.000 1.306 411 D CA -0.406 53.584 54.000 -0.017 0.000 0.956 411 D CB 0.434 41.211 40.800 -0.039 0.000 1.261 411 D HN 0.098 nan 8.370 nan 0.000 0.544 412 I N -0.990 119.620 120.570 0.067 0.000 2.910 412 I HA 0.915 5.085 4.170 -0.001 0.000 0.310 412 I C -1.163 175.075 176.117 0.202 0.000 1.043 412 I CA -1.023 60.341 61.300 0.107 0.000 1.053 412 I CB 2.423 40.459 38.000 0.060 0.000 1.242 412 I HN 0.296 nan 8.210 nan 0.000 0.452 413 W N 2.913 124.191 121.300 -0.038 0.000 3.372 413 W HA 0.723 5.382 4.660 -0.001 0.000 0.315 413 W C -0.832 175.630 176.519 -0.094 0.000 1.223 413 W CA 0.063 57.379 57.345 -0.048 0.000 1.202 413 W CB 1.853 31.279 29.460 -0.056 0.000 1.367 413 W HN 1.038 nan 8.180 nan 0.000 0.531 414 G N 1.929 110.266 108.800 -0.772 0.000 2.341 414 G HA2 0.241 4.200 3.960 -0.001 0.000 0.299 414 G HA3 0.241 4.200 3.960 -0.001 0.000 0.299 414 G C -1.846 172.516 174.900 -0.897 0.000 1.274 414 G CA -1.154 43.413 45.100 -0.888 0.000 0.853 414 G HN 0.553 nan 8.290 nan 0.000 0.493 415 W N 1.223 122.225 121.300 -0.496 0.000 2.137 415 W HA 0.345 5.005 4.660 -0.001 0.000 0.344 415 W C 2.176 178.411 176.519 -0.473 0.000 1.286 415 W CA 0.386 57.450 57.345 -0.468 0.000 1.240 415 W CB 1.112 30.358 29.460 -0.356 0.000 1.141 415 W HN 0.815 nan 8.180 nan 0.000 0.579 416 S N 1.175 116.663 115.700 -0.352 0.000 2.390 416 S HA -0.433 4.036 4.470 -0.001 0.000 0.234 416 S C 1.718 176.083 174.600 -0.390 0.000 1.063 416 S CA 2.062 59.937 58.200 -0.543 0.000 1.108 416 S CB -0.709 61.870 63.200 -1.035 0.000 0.975 416 S HN 0.685 nan 8.310 nan 0.000 0.442 417 K N 1.466 121.624 120.400 -0.403 0.000 2.147 417 K HA -0.145 4.174 4.320 -0.001 0.000 0.205 417 K C 1.327 177.737 176.600 -0.316 0.000 1.049 417 K CA 1.732 57.699 56.287 -0.534 0.000 0.936 417 K CB -0.450 31.815 32.500 -0.391 0.000 0.722 417 K HN 0.304 nan 8.250 nan 0.000 0.446 418 D N 1.107 121.410 120.400 -0.161 0.000 2.224 418 D HA -0.099 4.540 4.640 -0.001 0.000 0.205 418 D C 1.949 178.206 176.300 -0.073 0.000 0.965 418 D CA 1.590 55.529 54.000 -0.101 0.000 0.852 418 D CB 0.333 41.093 40.800 -0.066 0.000 0.947 418 D HN 0.370 nan 8.370 nan 0.000 0.494 419 V N -2.606 117.290 119.914 -0.031 0.000 3.565 419 V HA 0.151 4.270 4.120 -0.001 0.000 0.260 419 V C 1.757 178.076 176.094 0.375 0.000 1.231 419 V CA 0.243 62.631 62.300 0.147 0.000 1.100 419 V CB 0.021 31.965 31.823 0.201 0.000 0.807 419 V HN -0.085 nan 8.190 nan 0.000 0.454 420 Q N -0.134 119.724 119.800 0.097 0.000 2.376 420 Q HA 0.333 4.672 4.340 -0.001 0.000 0.206 420 Q C 0.070 176.173 176.000 0.171 0.000 0.921 420 Q CA 0.347 56.178 55.803 0.048 0.000 0.911 420 Q CB 0.337 28.881 28.738 -0.324 0.000 1.032 420 Q HN 0.673 nan 8.270 nan 0.000 0.510 421 F N 1.072 121.022 119.950 -0.001 0.000 2.390 421 F HA 0.107 4.634 4.527 -0.001 0.000 0.361 421 F C 0.088 175.803 175.800 -0.143 0.000 1.124 421 F CA -0.813 57.065 58.000 -0.204 0.000 1.149 421 F CB 0.571 39.285 39.000 -0.477 0.000 1.160 421 F HN 0.137 nan 8.300 nan 0.000 0.501 422 Y N 1.942 122.405 120.300 0.272 0.000 2.791 422 Y HA 0.464 5.013 4.550 -0.001 0.000 0.263 422 Y C -0.746 175.430 175.900 0.461 0.000 1.089 422 Y CA -0.733 57.576 58.100 0.348 0.000 1.253 422 Y CB -0.018 38.692 38.460 0.417 0.000 1.360 422 Y HN 0.097 nan 8.280 nan 0.000 0.569 423 I N 2.993 123.664 120.570 0.168 0.000 2.389 423 I HA 0.382 4.551 4.170 -0.001 0.000 0.288 423 I C -0.470 175.618 176.117 -0.047 0.000 0.999 423 I CA -1.198 60.141 61.300 0.064 0.000 1.129 423 I CB 1.772 39.678 38.000 -0.155 0.000 1.288 423 I HN 0.187 nan 8.210 nan 0.000 0.444 424 K N 3.507 123.848 120.400 -0.099 0.000 2.123 424 K HA 0.556 4.875 4.320 -0.001 0.000 0.259 424 K C 0.860 177.419 176.600 -0.069 0.000 0.960 424 K CA -0.504 55.620 56.287 -0.271 0.000 0.872 424 K CB 2.256 34.590 32.500 -0.277 0.000 1.079 424 K HN 0.650 nan 8.250 nan 0.000 0.440 425 A N 1.141 123.935 122.820 -0.043 0.000 2.131 425 A HA -0.138 4.182 4.320 -0.001 0.000 0.220 425 A C 1.732 179.545 177.584 0.382 0.000 1.158 425 A CA 2.040 54.197 52.037 0.200 0.000 0.665 425 A CB -0.858 18.264 19.000 0.204 0.000 0.795 425 A HN 0.861 nan 8.150 nan 0.000 0.460 426 T N -3.324 111.341 114.554 0.184 0.000 3.160 426 T HA 0.076 4.425 4.350 -0.001 0.000 0.257 426 T C 0.935 175.772 174.700 0.227 0.000 1.147 426 T CA 0.874 63.075 62.100 0.168 0.000 1.064 426 T CB -0.742 68.172 68.868 0.077 0.000 0.949 426 T HN 0.317 nan 8.240 nan 0.000 0.526 427 T N 1.831 116.575 114.554 0.317 0.000 2.802 427 T HA 0.336 4.685 4.350 -0.001 0.000 0.305 427 T C 0.133 175.095 174.700 0.436 0.000 1.053 427 T CA -0.822 61.495 62.100 0.362 0.000 1.058 427 T CB 0.010 69.105 68.868 0.378 0.000 0.988 427 T HN 0.314 nan 8.240 nan 0.000 0.539 428 L N 4.393 125.841 121.223 0.375 0.000 2.578 428 L HA 0.188 4.527 4.340 -0.001 0.000 0.279 428 L C 0.477 177.528 176.870 0.302 0.000 1.227 428 L CA 0.396 55.418 54.840 0.303 0.000 0.900 428 L CB 0.145 42.409 42.059 0.342 0.000 1.144 428 L HN 0.567 nan 8.230 nan 0.000 0.496 429 R N 6.879 127.356 120.500 -0.038 0.000 2.370 429 R HA 0.409 4.748 4.340 -0.001 0.000 0.309 429 R C -0.825 175.487 176.300 0.020 0.000 1.059 429 R CA -0.087 55.744 56.100 -0.448 0.000 0.981 429 R CB -0.208 29.735 30.300 -0.594 0.000 0.972 429 R HN 0.659 nan 8.270 nan 0.000 0.437 430 L N 0.539 121.954 121.223 0.320 0.000 2.359 430 L HA 0.501 4.840 4.340 -0.001 0.000 0.256 430 L C 0.222 177.488 176.870 0.659 0.000 1.026 430 L CA -0.874 54.244 54.840 0.463 0.000 0.828 430 L CB 2.465 44.824 42.059 0.500 0.000 1.406 430 L HN 0.430 nan 8.230 nan 0.000 0.413 431 T N 0.103 114.945 114.554 0.480 0.000 2.885 431 T HA 0.548 4.898 4.350 -0.001 0.000 0.285 431 T C -1.017 173.857 174.700 0.289 0.000 1.019 431 T CA -0.405 61.947 62.100 0.420 0.000 1.010 431 T CB 1.326 70.500 68.868 0.510 0.000 1.022 431 T HN 0.634 nan 8.240 nan 0.000 0.466 432 E N 1.223 121.406 120.200 -0.029 0.000 2.299 432 E HA 0.676 5.025 4.350 -0.001 0.000 0.265 432 E C -0.228 176.309 176.600 -0.105 0.000 0.911 432 E CA -1.340 55.020 56.400 -0.067 0.000 0.789 432 E CB 2.143 31.685 29.700 -0.262 0.000 1.246 432 E HN 0.737 nan 8.360 nan 0.000 0.427 433 G N -0.653 107.862 108.800 -0.475 0.000 3.015 433 G HA2 0.729 4.688 3.960 -0.001 0.000 0.281 433 G HA3 0.729 4.688 3.960 -0.001 0.000 0.281 433 G C -0.065 174.739 174.900 -0.162 0.000 1.386 433 G CA -0.180 44.628 45.100 -0.487 0.000 0.959 433 G HN 0.785 nan 8.290 nan 0.000 0.522 434 G N -1.805 106.997 108.800 0.004 0.000 2.445 434 G HA2 0.558 4.518 3.960 -0.001 0.000 0.212 434 G HA3 0.558 4.518 3.960 -0.001 0.000 0.212 434 G C 0.396 175.446 174.900 0.251 0.000 1.217 434 G CA 0.683 45.834 45.100 0.085 0.000 1.002 434 G HN 2.646 nan 8.290 nan 0.000 0.574 435 G N -1.858 107.044 108.800 0.169 0.000 2.344 435 G HA2 0.726 4.685 3.960 -0.001 0.000 0.282 435 G HA3 0.726 4.685 3.960 -0.001 0.000 0.282 435 G C -0.579 174.227 174.900 -0.157 0.000 1.281 435 G CA 1.040 46.156 45.100 0.027 0.000 0.877 435 G HN 2.452 nan 8.290 nan 0.000 0.494 436 A N -0.852 121.629 122.820 -0.566 0.000 2.317 436 A HA 0.764 5.084 4.320 -0.001 0.000 0.327 436 A C -0.585 176.560 177.584 -0.731 0.000 1.178 436 A CA -0.549 50.976 52.037 -0.853 0.000 0.817 436 A CB 1.755 19.925 19.000 -1.383 0.000 1.189 436 A HN 1.498 nan 8.150 nan 0.000 0.489 437 V N 3.583 123.080 119.914 -0.696 0.000 2.313 437 V HA 0.257 4.377 4.120 -0.001 0.000 0.278 437 V C -0.208 175.508 176.094 -0.629 0.000 1.017 437 V CA -0.454 61.475 62.300 -0.619 0.000 0.823 437 V CB 1.209 32.558 31.823 -0.791 0.000 1.010 437 V HN 0.624 nan 8.190 nan 0.000 0.443 438 V N 5.123 124.684 119.914 -0.589 0.000 2.432 438 V HA 0.638 4.758 4.120 -0.001 0.000 0.271 438 V C 0.394 176.036 176.094 -0.754 0.000 1.046 438 V CA 0.456 62.444 62.300 -0.519 0.000 0.945 438 V CB 1.185 32.808 31.823 -0.334 0.000 0.992 438 V HN 1.005 nan 8.190 nan 0.000 0.471 439 T N 2.644 116.820 114.554 -0.630 0.000 2.653 439 T HA 0.389 4.738 4.350 -0.001 0.000 0.306 439 T C -0.384 174.109 174.700 -0.346 0.000 1.426 439 T CA 0.081 61.665 62.100 -0.860 0.000 1.008 439 T CB 1.690 70.143 68.868 -0.691 0.000 1.692 439 T HN 0.815 nan 8.240 nan 0.000 0.483 440 S N 0.762 116.337 115.700 -0.208 0.000 2.580 440 S HA 0.333 4.802 4.470 -0.001 0.000 0.274 440 S C 1.224 175.805 174.600 -0.032 0.000 1.329 440 S CA -0.348 57.860 58.200 0.014 0.000 1.036 440 S CB 1.064 64.322 63.200 0.096 0.000 0.919 440 S HN 0.865 nan 8.310 nan 0.000 0.515 441 R N 1.784 122.287 120.500 0.005 0.000 2.127 441 R HA -0.131 4.208 4.340 -0.001 0.000 0.238 441 R C 2.049 178.356 176.300 0.013 0.000 1.134 441 R CA 1.510 57.613 56.100 0.005 0.000 0.975 441 R CB -0.924 29.388 30.300 0.020 0.000 0.865 441 R HN 0.874 nan 8.270 nan 0.000 0.447 442 A N -0.019 122.812 122.820 0.018 0.000 2.209 442 A HA -0.097 4.222 4.320 -0.001 0.000 0.212 442 A C 1.583 179.176 177.584 0.015 0.000 1.158 442 A CA 1.093 53.145 52.037 0.023 0.000 0.742 442 A CB -0.562 18.455 19.000 0.028 0.000 0.790 442 A HN 0.567 nan 8.150 nan 0.000 0.472 443 N N -0.442 118.251 118.700 -0.011 0.000 2.280 443 N HA 0.142 4.881 4.740 -0.001 0.000 0.192 443 N C 1.220 176.715 175.510 -0.026 0.000 1.109 443 N CA -0.059 52.975 53.050 -0.027 0.000 0.855 443 N CB -0.037 38.401 38.487 -0.082 0.000 0.974 443 N HN 0.475 nan 8.380 nan 0.000 0.482 444 I N 1.155 121.718 120.570 -0.010 0.000 2.127 444 I HA -0.298 3.872 4.170 -0.001 0.000 0.241 444 I C 2.512 178.642 176.117 0.023 0.000 1.075 444 I CA 1.316 62.613 61.300 -0.005 0.000 1.334 444 I CB -0.334 37.703 38.000 0.062 0.000 1.040 444 I HN 0.167 nan 8.210 nan 0.000 0.405 445 A N 0.215 123.079 122.820 0.073 0.000 1.883 445 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 445 A C 2.378 180.024 177.584 0.103 0.000 1.186 445 A CA 2.592 54.692 52.037 0.105 0.000 0.624 445 A CB -1.155 17.911 19.000 0.110 0.000 0.822 445 A HN 0.412 nan 8.150 nan 0.000 0.444 446 T N -0.404 114.203 114.554 0.089 0.000 2.746 446 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 446 T C 1.886 176.690 174.700 0.174 0.000 1.039 446 T CA 1.537 63.708 62.100 0.119 0.000 1.142 446 T CB -0.446 68.474 68.868 0.088 0.000 0.866 446 T HN 0.150 nan 8.240 nan 0.000 0.444 447 V N 1.333 121.327 119.914 0.133 0.000 2.287 447 V HA -0.146 3.973 4.120 -0.001 0.000 0.248 447 V C 2.368 178.589 176.094 0.212 0.000 1.053 447 V CA 1.536 63.952 62.300 0.193 0.000 1.027 447 V CB -0.545 31.233 31.823 -0.076 0.000 0.646 447 V HN 0.488 nan 8.190 nan 0.000 0.447 448 I N 0.200 120.815 120.570 0.076 0.000 2.286 448 I HA -0.218 3.951 4.170 -0.001 0.000 0.245 448 I C 2.508 178.710 176.117 0.142 0.000 1.104 448 I CA 1.653 62.972 61.300 0.031 0.000 1.397 448 I CB -0.543 37.364 38.000 -0.155 0.000 1.072 448 I HN 0.443 nan 8.210 nan 0.000 0.417 449 N N 1.072 119.888 118.700 0.192 0.000 2.120 449 N HA -0.218 4.521 4.740 -0.001 0.000 0.188 449 N C 1.372 177.046 175.510 0.273 0.000 1.024 449 N CA 1.767 54.959 53.050 0.237 0.000 0.852 449 N CB -0.014 38.594 38.487 0.202 0.000 1.003 449 N HN 0.228 nan 8.380 nan 0.000 0.424 450 D N 0.248 120.839 120.400 0.318 0.000 2.084 450 D HA -0.141 4.498 4.640 -0.001 0.000 0.194 450 D C 1.616 178.175 176.300 0.432 0.000 0.990 450 D CA 0.747 54.969 54.000 0.370 0.000 0.826 450 D CB -0.675 40.391 40.800 0.444 0.000 0.971 450 D HN 0.292 nan 8.370 nan 0.000 0.453 451 F N 1.738 121.923 119.950 0.391 0.000 2.075 451 F HA -0.217 4.309 4.527 -0.001 0.000 0.297 451 F C 2.473 178.431 175.800 0.263 0.000 1.113 451 F CA 2.260 60.468 58.000 0.345 0.000 1.218 451 F CB -0.950 38.239 39.000 0.316 0.000 0.984 451 F HN 0.020 nan 8.300 nan 0.000 0.472 452 T N -2.103 112.428 114.554 -0.039 0.000 2.788 452 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 452 T C 1.779 176.584 174.700 0.174 0.000 1.044 452 T CA 1.402 63.468 62.100 -0.058 0.000 1.139 452 T CB -0.557 68.288 68.868 -0.039 0.000 0.867 452 T HN 0.307 nan 8.240 nan 0.000 0.454 453 E N 0.163 120.525 120.200 0.269 0.000 2.072 453 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 453 E C 1.703 178.404 176.600 0.167 0.000 0.985 453 E CA 0.944 57.543 56.400 0.331 0.000 0.801 453 E CB -0.430 29.449 29.700 0.298 0.000 0.750 453 E HN 0.794 nan 8.360 nan 0.000 0.452 454 W N 0.943 122.139 121.300 -0.174 0.000 2.355 454 W HA -0.231 4.428 4.660 -0.001 0.000 0.309 454 W C 2.154 178.448 176.519 -0.375 0.000 1.206 454 W CA 1.569 58.655 57.345 -0.431 0.000 1.284 454 W CB -0.655 28.184 29.460 -1.035 0.000 1.145 454 W HN 0.037 nan 8.180 nan 0.000 0.502 455 F N 0.697 120.428 119.950 -0.365 0.000 2.095 455 F HA -0.263 4.263 4.527 -0.001 0.000 0.298 455 F C 2.724 178.239 175.800 -0.475 0.000 1.104 455 F CA 2.642 60.351 58.000 -0.484 0.000 1.232 455 F CB -1.209 37.454 39.000 -0.562 0.000 0.987 455 F HN 0.054 nan 8.300 nan 0.000 0.475 456 H N 0.118 119.017 119.070 -0.287 0.000 2.319 456 H HA -0.175 4.381 4.556 -0.001 0.000 0.297 456 H C 2.069 177.185 175.328 -0.354 0.000 1.097 456 H CA 2.533 58.396 56.048 -0.307 0.000 1.285 456 H CB -0.444 29.297 29.762 -0.035 0.000 1.368 456 H HN 0.469 nan 8.280 nan 0.000 0.495 457 E N -0.289 119.639 120.200 -0.454 0.000 2.051 457 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 457 E C 2.449 178.702 176.600 -0.578 0.000 0.991 457 E CA 0.889 56.989 56.400 -0.499 0.000 0.799 457 E CB 0.097 29.562 29.700 -0.391 0.000 0.748 457 E HN 0.332 nan 8.360 nan 0.000 0.449 458 R N 0.528 120.553 120.500 -0.792 0.000 2.081 458 R HA -0.080 4.259 4.340 -0.001 0.000 0.235 458 R C 2.414 178.417 176.300 -0.496 0.000 1.131 458 R CA 0.807 56.499 56.100 -0.679 0.000 0.960 458 R CB -0.710 29.079 30.300 -0.851 0.000 0.856 458 R HN 0.309 nan 8.270 nan 0.000 0.436 459 I N 1.332 121.417 120.570 -0.808 0.000 2.315 459 I HA -0.221 3.948 4.170 -0.001 0.000 0.248 459 I C 1.605 177.495 176.117 -0.378 0.000 1.117 459 I CA 1.443 62.308 61.300 -0.724 0.000 1.404 459 I CB 0.053 37.384 38.000 -1.115 0.000 1.071 459 I HN 0.195 nan 8.210 nan 0.000 0.419 460 E N 0.096 120.065 120.200 -0.384 0.000 2.152 460 E HA -0.222 4.127 4.350 -0.001 0.000 0.192 460 E C 1.981 178.449 176.600 -0.219 0.000 0.983 460 E CA 1.026 57.292 56.400 -0.224 0.000 0.818 460 E CB -0.201 29.331 29.700 -0.280 0.000 0.758 460 E HN 0.524 nan 8.360 nan 0.000 0.467 461 F N 0.913 120.603 119.950 -0.433 0.000 2.095 461 F HA -0.261 4.265 4.527 -0.001 0.000 0.298 461 F C 1.772 177.240 175.800 -0.553 0.000 1.104 461 F CA 1.577 59.275 58.000 -0.503 0.000 1.232 461 F CB -0.358 38.247 39.000 -0.659 0.000 0.987 461 F HN -0.035 nan 8.300 nan 0.000 0.475 462 Y N -0.106 120.004 120.300 -0.317 0.000 2.263 462 Y HA -0.104 4.445 4.550 -0.001 0.000 0.292 462 Y C 2.737 178.319 175.900 -0.529 0.000 1.130 462 Y CA 1.497 59.334 58.100 -0.438 0.000 1.179 462 Y CB -0.561 37.713 38.460 -0.310 0.000 0.998 462 Y HN -0.011 nan 8.280 nan 0.000 0.532 463 R N 0.726 121.016 120.500 -0.350 0.000 2.120 463 R HA -0.158 4.181 4.340 -0.001 0.000 0.234 463 R C 2.189 178.272 176.300 -0.362 0.000 1.123 463 R CA 1.127 56.943 56.100 -0.474 0.000 0.975 463 R CB -0.376 29.851 30.300 -0.122 0.000 0.866 463 R HN 0.293 nan 8.270 nan 0.000 0.446 464 A N 0.737 123.358 122.820 -0.331 0.000 2.125 464 A HA -0.098 4.221 4.320 -0.001 0.000 0.219 464 A C 1.406 178.797 177.584 -0.321 0.000 1.156 464 A CA 1.165 53.027 52.037 -0.292 0.000 0.671 464 A CB -0.060 18.757 19.000 -0.304 0.000 0.794 464 A HN 0.337 nan 8.150 nan 0.000 0.459 465 K N -1.535 118.627 120.400 -0.397 0.000 2.373 465 K HA 0.299 4.619 4.320 -0.001 0.000 0.202 465 K C 0.808 177.259 176.600 -0.250 0.000 1.025 465 K CA 0.365 56.458 56.287 -0.324 0.000 1.115 465 K CB 0.338 32.611 32.500 -0.379 0.000 0.858 465 K HN 0.539 nan 8.250 nan 0.000 0.525 466 G N 2.259 110.880 108.800 -0.297 0.000 2.147 466 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.244 466 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.244 466 G C -0.502 174.186 174.900 -0.353 0.000 1.005 466 G CA 0.075 45.025 45.100 -0.250 0.000 0.713 466 G HN 0.392 nan 8.290 nan 0.000 0.515 467 E N -1.047 118.821 120.200 -0.554 0.000 2.195 467 E HA 0.644 4.993 4.350 -0.001 0.000 0.271 467 E C -0.916 175.221 176.600 -0.771 0.000 0.923 467 E CA -0.876 55.263 56.400 -0.436 0.000 0.790 467 E CB 1.100 30.694 29.700 -0.177 0.000 1.155 467 E HN 0.156 nan 8.360 nan 0.000 0.402 468 F N 2.691 122.614 119.950 -0.045 0.000 2.531 468 F HA 0.237 4.763 4.527 -0.001 0.000 0.333 468 F C -1.621 174.123 175.800 -0.093 0.000 1.292 468 F CA -1.489 56.497 58.000 -0.025 0.000 1.184 468 F CB 1.320 40.319 39.000 -0.001 0.000 1.426 468 F HN 0.342 nan 8.300 nan 0.000 0.559 469 P HA 0.022 nan 4.420 nan 0.000 0.241 469 P C -0.114 177.072 177.300 -0.190 0.000 1.191 469 P CA 0.850 63.824 63.100 -0.211 0.000 0.771 469 P CB 0.798 32.266 31.700 -0.386 0.000 0.929 470 L N 1.454 122.608 121.223 -0.116 0.000 2.377 470 L HA 0.335 4.674 4.340 -0.001 0.000 0.270 470 L C 0.350 177.293 176.870 0.122 0.000 0.991 470 L CA -0.510 54.298 54.840 -0.055 0.000 0.851 470 L CB 1.380 43.292 42.059 -0.245 0.000 1.218 470 L HN -0.167 nan 8.230 nan 0.000 0.420 471 N N 0.427 119.235 118.700 0.180 0.000 2.170 471 N HA 0.207 4.946 4.740 -0.001 0.000 0.222 471 N C 0.169 175.922 175.510 0.405 0.000 1.218 471 N CA -0.258 52.981 53.050 0.315 0.000 0.889 471 N CB 1.131 39.775 38.487 0.262 0.000 1.083 471 N HN 0.471 nan 8.380 nan 0.000 0.520 472 G N 0.290 109.271 108.800 0.301 0.000 2.537 472 G HA2 0.651 4.610 3.960 -0.001 0.000 0.323 472 G HA3 0.651 4.610 3.960 -0.001 0.000 0.323 472 G C -3.007 172.009 174.900 0.193 0.000 1.207 472 G CA -1.766 43.524 45.100 0.316 0.000 0.976 472 G HN -0.017 nan 8.290 nan 0.000 0.487 473 P HA 0.352 nan 4.420 nan 0.000 0.278 473 P C -0.479 176.766 177.300 -0.092 0.000 1.258 473 P CA -0.409 62.648 63.100 -0.072 0.000 0.811 473 P CB 1.869 33.377 31.700 -0.320 0.000 1.063 474 V N 1.378 121.172 119.914 -0.200 0.000 2.498 474 V HA 0.232 4.352 4.120 -0.001 0.000 0.279 474 V C 0.602 176.715 176.094 0.032 0.000 1.048 474 V CA 0.036 62.231 62.300 -0.175 0.000 0.967 474 V CB 0.559 32.190 31.823 -0.320 0.000 0.988 474 V HN 0.625 nan 8.190 nan 0.000 0.473 475 E N 5.006 125.250 120.200 0.074 0.000 2.224 475 E HA 0.645 4.994 4.350 -0.001 0.000 0.265 475 E C -1.565 175.119 176.600 0.141 0.000 0.878 475 E CA -0.591 55.883 56.400 0.123 0.000 0.759 475 E CB 1.624 31.396 29.700 0.119 0.000 1.164 475 E HN 0.636 nan 8.360 nan 0.000 0.414 476 I N 4.915 125.596 120.570 0.185 0.000 2.533 476 I HA 0.529 4.699 4.170 -0.001 0.000 0.290 476 I C -0.539 175.762 176.117 0.307 0.000 1.056 476 I CA -0.765 60.623 61.300 0.146 0.000 1.057 476 I CB 1.792 39.766 38.000 -0.045 0.000 1.240 476 I HN 0.568 nan 8.210 nan 0.000 0.423 477 R N 4.057 124.754 120.500 0.328 0.000 2.692 477 R HA 0.831 5.170 4.340 -0.001 0.000 0.269 477 R C -1.876 174.703 176.300 0.464 0.000 1.030 477 R CA -0.729 55.655 56.100 0.474 0.000 0.882 477 R CB 1.523 32.076 30.300 0.421 0.000 1.250 477 R HN 0.537 nan 8.270 nan 0.000 0.465 478 C N 0.512 120.081 119.300 0.448 0.000 2.719 478 C HA 0.920 5.379 4.460 -0.001 0.000 0.327 478 C C 0.225 175.428 174.990 0.354 0.000 1.238 478 C CA -0.372 58.852 59.018 0.343 0.000 1.727 478 C CB 1.078 28.951 27.740 0.223 0.000 2.256 478 C HN 1.104 nan 8.230 nan 0.000 0.489 479 C N -0.203 119.283 119.300 0.311 0.000 3.314 479 C HA 0.958 5.417 4.460 -0.001 0.000 0.344 479 C C 0.364 175.471 174.990 0.195 0.000 1.461 479 C CA -0.031 59.155 59.018 0.280 0.000 1.249 479 C CB 0.819 28.765 27.740 0.343 0.000 1.632 479 C HN 1.249 nan 8.230 nan 0.000 0.452 480 G N -0.173 108.755 108.800 0.214 0.000 2.525 480 G HA2 0.628 4.587 3.960 -0.001 0.000 0.287 480 G HA3 0.628 4.587 3.960 -0.001 0.000 0.287 480 G C -0.743 174.242 174.900 0.141 0.000 1.350 480 G CA -0.851 44.347 45.100 0.164 0.000 1.039 480 G HN 0.930 nan 8.290 nan 0.000 0.513 481 L N -1.022 120.269 121.223 0.113 0.000 2.335 481 L HA 0.340 4.679 4.340 -0.001 0.000 0.268 481 L C -0.344 176.587 176.870 0.102 0.000 1.016 481 L CA -0.988 53.910 54.840 0.097 0.000 0.805 481 L CB 1.235 43.339 42.059 0.076 0.000 1.311 481 L HN 0.319 nan 8.230 nan 0.000 0.456 482 D N 1.791 122.246 120.400 0.091 0.000 2.600 482 D HA 0.040 4.680 4.640 -0.001 0.000 0.226 482 D C -0.069 176.270 176.300 0.064 0.000 1.119 482 D CA 0.040 54.084 54.000 0.073 0.000 1.051 482 D CB 0.169 41.011 40.800 0.071 0.000 1.106 482 D HN 0.259 nan 8.370 nan 0.000 0.491 483 Q N 0.455 120.297 119.800 0.070 0.000 2.311 483 Q HA 0.137 4.476 4.340 -0.001 0.000 0.272 483 Q C 1.100 177.129 176.000 0.048 0.000 1.012 483 Q CA -0.124 55.717 55.803 0.064 0.000 0.891 483 Q CB 1.263 30.049 28.738 0.079 0.000 1.201 483 Q HN 0.336 nan 8.270 nan 0.000 0.391 484 A N 3.045 125.889 122.820 0.040 0.000 1.972 484 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 484 A C 1.920 179.522 177.584 0.030 0.000 1.169 484 A CA 1.700 53.755 52.037 0.030 0.000 0.635 484 A CB -0.378 18.636 19.000 0.024 0.000 0.810 484 A HN 0.788 nan 8.150 nan 0.000 0.446 485 A N -0.001 122.841 122.820 0.037 0.000 2.070 485 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 485 A C 1.549 179.157 177.584 0.041 0.000 1.159 485 A CA 1.721 53.780 52.037 0.037 0.000 0.656 485 A CB -0.427 18.599 19.000 0.043 0.000 0.800 485 A HN 0.465 nan 8.150 nan 0.000 0.453 486 D N -0.382 120.045 120.400 0.045 0.000 2.234 486 D HA 0.024 4.663 4.640 -0.001 0.000 0.205 486 D C 0.496 176.810 176.300 0.024 0.000 0.962 486 D CA 0.504 54.529 54.000 0.042 0.000 0.855 486 D CB -0.236 40.590 40.800 0.043 0.000 0.951 486 D HN 0.200 nan 8.370 nan 0.000 0.500 487 V N 2.433 122.358 119.914 0.020 0.000 2.439 487 V HA 0.038 4.157 4.120 -0.001 0.000 0.271 487 V C 1.176 177.279 176.094 0.014 0.000 1.040 487 V CA -0.019 62.289 62.300 0.013 0.000 1.002 487 V CB 1.257 33.087 31.823 0.012 0.000 1.000 487 V HN -0.077 nan 8.190 nan 0.000 0.477 488 K N 3.416 123.823 120.400 0.012 0.000 2.410 488 K HA 0.212 4.531 4.320 -0.001 0.000 0.200 488 K C -0.003 176.604 176.600 0.011 0.000 1.023 488 K CA 0.231 56.525 56.287 0.011 0.000 1.149 488 K CB 0.529 33.034 32.500 0.008 0.000 0.859 488 K HN 0.674 nan 8.250 nan 0.000 0.514 489 V N -1.825 118.096 119.914 0.013 0.000 2.960 489 V HA 0.605 4.725 4.120 -0.001 0.000 0.315 489 V C -2.819 173.284 176.094 0.014 0.000 1.087 489 V CA -2.988 59.320 62.300 0.013 0.000 0.982 489 V CB 1.685 33.517 31.823 0.016 0.000 1.039 489 V HN -0.185 nan 8.190 nan 0.000 0.437 490 P HA 0.284 nan 4.420 nan 0.000 0.262 490 P C -0.534 176.775 177.300 0.015 0.000 1.182 490 P CA 0.727 63.835 63.100 0.014 0.000 0.761 490 P CB 0.568 32.276 31.700 0.013 0.000 0.795 491 S N 1.614 117.323 115.700 0.014 0.000 2.540 491 S HA 0.342 4.811 4.470 -0.001 0.000 0.275 491 S C 0.570 175.177 174.600 0.011 0.000 1.123 491 S CA -0.724 57.485 58.200 0.014 0.000 0.907 491 S CB 1.102 64.309 63.200 0.013 0.000 1.081 491 S HN 0.164 nan 8.310 nan 0.000 0.476 492 V N 1.474 121.394 119.914 0.010 0.000 3.541 492 V HA 0.690 4.809 4.120 -0.001 0.000 0.267 492 V C 1.072 177.169 176.094 0.005 0.000 1.213 492 V CA 0.897 63.200 62.300 0.006 0.000 1.149 492 V CB -0.943 30.882 31.823 0.003 0.000 0.822 492 V HN 1.357 nan 8.190 nan 0.000 0.462 493 G N 0.288 109.093 108.800 0.008 0.000 2.362 493 G HA2 0.258 4.218 3.960 -0.001 0.000 0.288 493 G HA3 0.258 4.218 3.960 -0.001 0.000 0.288 493 G C -3.418 171.491 174.900 0.015 0.000 1.305 493 G CA -0.227 44.880 45.100 0.012 0.000 0.910 493 G HN 0.242 nan 8.290 nan 0.000 0.518 494 P HA 0.474 nan 4.420 nan 0.000 0.279 494 P C -2.823 174.498 177.300 0.035 0.000 1.276 494 P CA -1.399 61.722 63.100 0.035 0.000 0.801 494 P CB 0.474 32.205 31.700 0.051 0.000 1.127 495 P HA 0.038 nan 4.420 nan 0.000 0.265 495 P C 1.010 178.347 177.300 0.062 0.000 1.193 495 P CA 0.552 63.677 63.100 0.042 0.000 0.765 495 P CB -0.119 31.616 31.700 0.059 0.000 0.823 496 T N 3.048 117.620 114.554 0.031 0.000 2.708 496 T HA -0.140 4.209 4.350 -0.001 0.000 0.266 496 T C 1.321 176.097 174.700 0.126 0.000 1.037 496 T CA 1.597 63.725 62.100 0.046 0.000 1.146 496 T CB -0.580 68.265 68.868 -0.038 0.000 0.865 496 T HN 0.576 nan 8.240 nan 0.000 0.435 497 I N 0.327 120.952 120.570 0.093 0.000 3.816 497 I HA 0.388 4.557 4.170 -0.001 0.000 0.334 497 I C 0.265 176.515 176.117 0.222 0.000 1.551 497 I CA -0.878 60.478 61.300 0.093 0.000 1.153 497 I CB 0.046 38.021 38.000 -0.042 0.000 1.197 497 I HN -0.009 nan 8.210 nan 0.000 0.439 498 S N 0.833 116.698 115.700 0.275 0.000 2.580 498 S HA 0.557 5.026 4.470 -0.001 0.000 0.274 498 S C 1.343 176.194 174.600 0.418 0.000 1.329 498 S CA -0.085 58.328 58.200 0.354 0.000 1.036 498 S CB 2.026 65.364 63.200 0.230 0.000 0.919 498 S HN 0.418 nan 8.310 nan 0.000 0.515 499 A N 2.126 125.179 122.820 0.388 0.000 2.121 499 A HA 0.033 4.352 4.320 -0.001 0.000 0.218 499 A C 2.020 179.668 177.584 0.106 0.000 1.154 499 A CA 1.326 53.481 52.037 0.197 0.000 0.679 499 A CB -1.275 17.756 19.000 0.052 0.000 0.795 499 A HN 1.066 nan 8.150 nan 0.000 0.458 500 T N -2.401 112.266 114.554 0.188 0.000 3.144 500 T HA 0.175 4.524 4.350 -0.001 0.000 0.249 500 T C 0.740 175.509 174.700 0.115 0.000 1.089 500 T CA -0.259 61.919 62.100 0.131 0.000 0.989 500 T CB -0.348 68.633 68.868 0.189 0.000 0.992 500 T HN 0.446 nan 8.240 nan 0.000 0.540 501 R N 2.474 123.060 120.500 0.143 0.000 2.442 501 R HA 0.249 4.588 4.340 -0.001 0.000 0.291 501 R C -2.701 173.660 176.300 0.102 0.000 1.069 501 R CA -1.563 54.614 56.100 0.128 0.000 1.022 501 R CB 0.028 30.428 30.300 0.167 0.000 0.976 501 R HN 0.097 nan 8.270 nan 0.000 0.443 502 P HA 0.031 nan 4.420 nan 0.000 0.269 502 P C -0.946 176.401 177.300 0.079 0.000 1.215 502 P CA -0.000 63.152 63.100 0.086 0.000 0.780 502 P CB 0.550 32.290 31.700 0.067 0.000 0.898 503 R N 3.813 124.368 120.500 0.091 0.000 2.198 503 R HA 0.206 4.546 4.340 -0.001 0.000 0.339 503 R C -1.844 174.422 176.300 -0.056 0.000 1.020 503 R CA -1.914 54.210 56.100 0.041 0.000 0.864 503 R CB 0.425 30.786 30.300 0.101 0.000 1.105 503 R HN 0.361 nan 8.270 nan 0.000 0.463 504 P HA -0.169 nan 4.420 nan 0.000 0.216 504 P C 0.602 177.781 177.300 -0.202 0.000 1.150 504 P CA 1.214 64.252 63.100 -0.103 0.000 0.837 504 P CB 0.259 31.915 31.700 -0.074 0.000 0.786 505 D N -2.629 117.591 120.400 -0.300 0.000 2.363 505 D HA -0.128 4.511 4.640 -0.001 0.000 0.226 505 D C 0.143 175.875 176.300 -0.945 0.000 1.020 505 D CA 0.899 54.577 54.000 -0.537 0.000 0.892 505 D CB -0.671 39.798 40.800 -0.551 0.000 0.900 505 D HN 0.291 nan 8.370 nan 0.000 0.531 506 H N 0.234 119.001 119.070 -0.505 0.000 2.562 506 H HA 0.171 4.726 4.556 -0.001 0.000 0.230 506 H C -1.839 173.227 175.328 -0.437 0.000 1.415 506 H CA -1.052 54.535 56.048 -0.768 0.000 1.454 506 H CB 1.678 30.297 29.762 -1.905 0.000 1.716 506 H HN 0.036 nan 8.280 nan 0.000 0.538 507 P HA -0.141 nan 4.420 nan 0.000 0.222 507 P C 0.969 178.274 177.300 0.008 0.000 1.147 507 P CA 1.084 64.148 63.100 -0.060 0.000 0.790 507 P CB 0.413 32.077 31.700 -0.061 0.000 0.780 508 D N -2.387 118.021 120.400 0.014 0.000 2.347 508 D HA -0.112 4.527 4.640 -0.001 0.000 0.213 508 D C 0.139 176.604 176.300 0.274 0.000 0.985 508 D CA 0.056 54.126 54.000 0.116 0.000 0.879 508 D CB -0.672 40.200 40.800 0.120 0.000 0.919 508 D HN 0.091 nan 8.370 nan 0.000 0.526 509 W N 2.870 124.175 121.300 0.008 0.000 2.437 509 W HA 0.269 4.928 4.660 -0.001 0.000 0.312 509 W C 0.210 176.712 176.519 -0.028 0.000 1.242 509 W CA -1.031 56.293 57.345 -0.035 0.000 1.340 509 W CB 0.467 29.893 29.460 -0.057 0.000 1.327 509 W HN 0.050 nan 8.180 nan 0.000 0.476 510 D N 0.993 121.486 120.400 0.155 0.000 2.582 510 D HA 0.168 4.808 4.640 -0.001 0.000 0.246 510 D C -0.356 175.966 176.300 0.036 0.000 1.334 510 D CA -0.070 53.983 54.000 0.088 0.000 0.805 510 D CB -0.604 40.242 40.800 0.076 0.000 1.087 510 D HN 0.005 nan 8.370 nan 0.000 0.499 511 V N -3.212 116.691 119.914 -0.018 0.000 3.114 511 V HA 0.972 5.091 4.120 -0.001 0.000 0.308 511 V C -1.266 174.719 176.094 -0.182 0.000 1.168 511 V CA -1.221 61.042 62.300 -0.062 0.000 1.015 511 V CB 1.734 33.523 31.823 -0.056 0.000 1.050 511 V HN 0.215 nan 8.190 nan 0.000 0.433 512 A N 3.784 126.463 122.820 -0.235 0.000 2.304 512 A HA 0.880 5.199 4.320 -0.001 0.000 0.314 512 A C -0.636 176.549 177.584 -0.664 0.000 1.187 512 A CA -0.588 51.113 52.037 -0.561 0.000 0.810 512 A CB 0.629 19.236 19.000 -0.655 0.000 1.183 512 A HN 0.931 nan 8.150 nan 0.000 0.487 513 I N 2.282 122.431 120.570 -0.702 0.000 2.307 513 I HA 0.215 4.385 4.170 -0.001 0.000 0.289 513 I C -1.014 174.720 176.117 -0.639 0.000 1.021 513 I CA -0.247 60.748 61.300 -0.509 0.000 1.224 513 I CB 0.885 38.644 38.000 -0.402 0.000 1.376 513 I HN 0.694 nan 8.210 nan 0.000 0.470 514 W N 7.589 128.790 121.300 -0.165 0.000 2.342 514 W HA 0.480 5.140 4.660 -0.001 0.000 0.310 514 W C -0.594 175.824 176.519 -0.169 0.000 1.128 514 W CA -0.431 56.829 57.345 -0.142 0.000 1.322 514 W CB 0.340 29.790 29.460 -0.018 0.000 1.251 514 W HN 0.240 nan 8.180 nan 0.000 0.439 515 L N 5.153 126.301 121.223 -0.125 0.000 2.277 515 L HA 0.393 4.732 4.340 -0.001 0.000 0.284 515 L C -0.439 176.308 176.870 -0.206 0.000 1.028 515 L CA -0.449 54.185 54.840 -0.342 0.000 0.835 515 L CB 0.192 41.734 42.059 -0.862 0.000 1.215 515 L HN 0.452 nan 8.230 nan 0.000 0.425 516 N N 1.781 120.454 118.700 -0.045 0.000 2.292 516 N HA 0.733 5.473 4.740 -0.001 0.000 0.303 516 N C -1.300 174.235 175.510 0.040 0.000 1.140 516 N CA -0.693 52.363 53.050 0.009 0.000 0.788 516 N CB 3.044 41.563 38.487 0.053 0.000 1.361 516 N HN 0.094 nan 8.380 nan 0.000 0.489 517 V N 1.805 121.726 119.914 0.011 0.000 2.638 517 V HA 0.492 4.611 4.120 -0.001 0.000 0.306 517 V C -1.036 175.115 176.094 0.096 0.000 1.052 517 V CA -0.698 61.639 62.300 0.062 0.000 0.885 517 V CB 1.521 33.472 31.823 0.214 0.000 0.999 517 V HN 0.406 nan 8.190 nan 0.000 0.424 518 L N 3.238 124.576 121.223 0.191 0.000 2.330 518 L HA 1.034 5.373 4.340 -0.001 0.000 0.271 518 L C 0.522 177.605 176.870 0.355 0.000 1.013 518 L CA 0.074 55.081 54.840 0.278 0.000 0.816 518 L CB 1.906 44.119 42.059 0.257 0.000 1.287 518 L HN 0.848 nan 8.230 nan 0.000 0.435 519 G N -0.054 108.966 108.800 0.367 0.000 2.677 519 G HA2 0.539 4.498 3.960 -0.001 0.000 0.291 519 G HA3 0.539 4.498 3.960 -0.001 0.000 0.291 519 G C -1.777 173.247 174.900 0.206 0.000 1.435 519 G CA -0.633 44.627 45.100 0.267 0.000 0.826 519 G HN 0.283 nan 8.290 nan 0.000 0.491 520 V N 2.104 122.096 119.914 0.131 0.000 2.521 520 V HA 0.209 4.328 4.120 -0.001 0.000 0.286 520 V C -1.731 174.359 176.094 -0.006 0.000 1.034 520 V CA -0.803 61.540 62.300 0.071 0.000 1.045 520 V CB 1.155 32.982 31.823 0.008 0.000 0.974 520 V HN 0.518 nan 8.190 nan 0.000 0.480 521 P HA 0.182 nan 4.420 nan 0.000 0.264 521 P C 0.951 178.199 177.300 -0.088 0.000 1.183 521 P CA 1.438 64.528 63.100 -0.017 0.000 0.763 521 P CB 0.536 32.271 31.700 0.058 0.000 0.807 522 G N 1.488 110.187 108.800 -0.168 0.000 2.195 522 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.246 522 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.246 522 G C 0.289 175.084 174.900 -0.174 0.000 0.984 522 G CA -0.006 45.007 45.100 -0.144 0.000 0.633 522 G HN 0.583 nan 8.290 nan 0.000 0.525 523 T N 3.691 118.114 114.554 -0.218 0.000 2.793 523 T HA 0.423 4.772 4.350 -0.001 0.000 0.289 523 T C -1.940 172.632 174.700 -0.214 0.000 0.956 523 T CA -0.072 61.917 62.100 -0.186 0.000 1.177 523 T CB 1.150 69.914 68.868 -0.172 0.000 0.897 523 T HN 0.151 nan 8.240 nan 0.000 0.533 524 P HA 0.186 nan 4.420 nan 0.000 0.264 524 P C 1.118 178.331 177.300 -0.145 0.000 1.193 524 P CA 0.763 63.792 63.100 -0.118 0.000 0.763 524 P CB 0.305 31.964 31.700 -0.069 0.000 0.810 525 G N 2.953 111.669 108.800 -0.139 0.000 2.212 525 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.266 525 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.266 525 G C 0.968 175.742 174.900 -0.210 0.000 0.978 525 G CA 0.516 45.521 45.100 -0.159 0.000 0.632 525 G HN 0.546 nan 8.290 nan 0.000 0.537 526 M N -0.268 119.148 119.600 -0.307 0.000 2.086 526 M HA 0.126 4.606 4.480 -0.001 0.000 0.261 526 M C 2.333 178.336 176.300 -0.496 0.000 1.067 526 M CA 2.252 57.268 55.300 -0.473 0.000 1.116 526 M CB -0.221 31.991 32.600 -0.648 0.000 1.348 526 M HN 0.343 nan 8.290 nan 0.000 0.407 527 F N 0.295 120.046 119.950 -0.333 0.000 2.234 527 F HA -0.187 4.340 4.527 -0.001 0.000 0.299 527 F C 2.087 177.816 175.800 -0.120 0.000 1.087 527 F CA 0.537 58.406 58.000 -0.219 0.000 1.340 527 F CB -0.160 38.858 39.000 0.029 0.000 1.031 527 F HN 0.209 nan 8.300 nan 0.000 0.500 528 E N 0.233 120.495 120.200 0.103 0.000 2.110 528 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 528 E C 1.747 178.373 176.600 0.043 0.000 0.988 528 E CA 1.152 57.597 56.400 0.074 0.000 0.804 528 E CB -0.479 29.243 29.700 0.037 0.000 0.745 528 E HN 0.389 nan 8.360 nan 0.000 0.458 529 F N -0.288 119.589 119.950 -0.122 0.000 2.146 529 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 529 F C 1.647 177.529 175.800 0.137 0.000 1.096 529 F CA 1.136 59.103 58.000 -0.056 0.000 1.275 529 F CB -0.110 38.790 39.000 -0.166 0.000 1.008 529 F HN 0.031 nan 8.300 nan 0.000 0.480 530 Y N 0.814 120.985 120.300 -0.214 0.000 2.274 530 Y HA -0.168 4.382 4.550 -0.001 0.000 0.290 530 Y C 2.710 178.285 175.900 -0.542 0.000 1.145 530 Y CA 1.361 59.115 58.100 -0.576 0.000 1.203 530 Y CB -1.279 36.417 38.460 -1.274 0.000 0.984 530 Y HN 0.168 nan 8.280 nan 0.000 0.533 531 R N 0.757 121.180 120.500 -0.127 0.000 2.075 531 R HA -0.174 4.165 4.340 -0.001 0.000 0.232 531 R C 2.201 178.517 176.300 0.026 0.000 1.126 531 R CA 1.631 57.775 56.100 0.073 0.000 0.963 531 R CB -0.265 30.123 30.300 0.147 0.000 0.858 531 R HN 0.404 nan 8.270 nan 0.000 0.435 532 E N 0.324 120.498 120.200 -0.042 0.000 2.077 532 E HA -0.262 4.087 4.350 -0.001 0.000 0.193 532 E C 2.038 178.641 176.600 0.004 0.000 0.989 532 E CA 1.542 57.940 56.400 -0.003 0.000 0.800 532 E CB -0.101 29.589 29.700 -0.017 0.000 0.746 532 E HN 0.400 nan 8.360 nan 0.000 0.452 533 M N 0.548 120.060 119.600 -0.147 0.000 2.132 533 M HA -0.169 4.310 4.480 -0.001 0.000 0.263 533 M C 2.216 178.470 176.300 -0.075 0.000 1.065 533 M CA 1.781 57.033 55.300 -0.079 0.000 1.122 533 M CB -0.039 32.547 32.600 -0.022 0.000 1.365 533 M HN 0.088 nan 8.290 nan 0.000 0.411 534 E N -0.092 120.096 120.200 -0.019 0.000 2.085 534 E HA -0.270 4.079 4.350 -0.001 0.000 0.194 534 E C 1.903 178.459 176.600 -0.074 0.000 0.994 534 E CA 1.738 58.155 56.400 0.027 0.000 0.801 534 E CB -0.062 29.789 29.700 0.251 0.000 0.743 534 E HN 0.674 nan 8.360 nan 0.000 0.453 535 Q N -0.729 119.059 119.800 -0.019 0.000 2.119 535 Q HA -0.176 4.164 4.340 -0.001 0.000 0.201 535 Q C 1.758 177.684 176.000 -0.123 0.000 0.972 535 Q CA 1.497 57.277 55.803 -0.039 0.000 0.847 535 Q CB -0.283 28.470 28.738 0.026 0.000 0.903 535 Q HN 0.462 nan 8.270 nan 0.000 0.433 536 W N 1.121 122.219 121.300 -0.336 0.000 2.379 536 W HA -0.131 4.528 4.660 -0.001 0.000 0.307 536 W C 1.825 178.008 176.519 -0.560 0.000 1.200 536 W CA 1.377 58.419 57.345 -0.505 0.000 1.297 536 W CB -0.060 28.838 29.460 -0.937 0.000 1.140 536 W HN 0.017 nan 8.180 nan 0.000 0.507 537 M N 0.208 119.467 119.600 -0.569 0.000 2.117 537 M HA -0.190 4.289 4.480 -0.001 0.000 0.262 537 M C 2.146 177.903 176.300 -0.906 0.000 1.065 537 M CA 1.853 56.631 55.300 -0.869 0.000 1.114 537 M CB -0.642 31.277 32.600 -1.134 0.000 1.361 537 M HN -0.044 nan 8.290 nan 0.000 0.408 538 R N -0.427 119.649 120.500 -0.706 0.000 2.096 538 R HA -0.077 4.262 4.340 -0.001 0.000 0.235 538 R C 2.348 178.453 176.300 -0.326 0.000 1.127 538 R CA 1.635 57.518 56.100 -0.362 0.000 0.968 538 R CB -0.378 29.830 30.300 -0.153 0.000 0.861 538 R HN 0.288 nan 8.270 nan 0.000 0.440 539 S N -0.547 114.916 115.700 -0.396 0.000 2.395 539 S HA -0.112 4.357 4.470 -0.001 0.000 0.225 539 S C 1.662 175.966 174.600 -0.492 0.000 1.027 539 S CA 0.977 58.960 58.200 -0.362 0.000 0.965 539 S CB -0.179 62.840 63.200 -0.301 0.000 0.812 539 S HN 0.418 nan 8.310 nan 0.000 0.482 540 H N -0.188 118.316 119.070 -0.944 0.000 2.403 540 H HA 0.104 4.659 4.556 -0.001 0.000 0.298 540 H C 0.566 175.314 175.328 -0.967 0.000 1.059 540 H CA 1.288 56.634 56.048 -1.170 0.000 1.363 540 H CB 0.019 28.488 29.762 -2.155 0.000 1.410 540 H HN 0.448 nan 8.280 nan 0.000 0.528 541 Y N -0.529 119.444 120.300 -0.545 0.000 2.625 541 Y HA 0.262 4.811 4.550 -0.001 0.000 0.285 541 Y C 0.003 175.709 175.900 -0.323 0.000 1.168 541 Y CA -0.538 57.309 58.100 -0.423 0.000 1.250 541 Y CB 0.393 38.651 38.460 -0.337 0.000 1.130 541 Y HN 0.095 nan 8.280 nan 0.000 0.526 542 N N 2.350 120.935 118.700 -0.191 0.000 2.800 542 N HA 0.155 4.894 4.740 -0.001 0.000 0.240 542 N C -1.199 174.232 175.510 -0.132 0.000 1.096 542 N CA -0.084 52.889 53.050 -0.128 0.000 0.877 542 N CB 0.636 39.063 38.487 -0.100 0.000 1.138 542 N HN 0.534 nan 8.380 nan 0.000 0.509 543 N N -1.146 117.486 118.700 -0.113 0.000 3.418 543 N HA 0.283 5.022 4.740 -0.001 0.000 0.316 543 N C -0.216 175.311 175.510 0.028 0.000 1.601 543 N CA -0.615 52.391 53.050 -0.074 0.000 0.805 543 N CB 0.342 38.742 38.487 -0.145 0.000 1.873 543 N HN -0.218 nan 8.380 nan 0.000 0.615 544 D N -1.170 119.256 120.400 0.044 0.000 2.309 544 D HA -0.045 4.594 4.640 -0.001 0.000 0.212 544 D C -0.086 176.342 176.300 0.212 0.000 0.968 544 D CA 1.096 55.173 54.000 0.128 0.000 0.882 544 D CB -0.104 40.748 40.800 0.086 0.000 0.918 544 D HN 0.457 nan 8.370 nan 0.000 0.503 545 D N -0.562 119.902 120.400 0.106 0.000 2.433 545 D HA 0.412 5.051 4.640 -0.001 0.000 0.211 545 D C 0.285 176.341 176.300 -0.407 0.000 1.114 545 D CA 0.144 54.188 54.000 0.073 0.000 0.837 545 D CB 0.916 41.704 40.800 -0.020 0.000 0.984 545 D HN 0.155 nan 8.370 nan 0.000 0.505 546 A N -0.275 122.170 122.820 -0.626 0.000 2.567 546 A HA 0.546 4.865 4.320 -0.001 0.000 0.291 546 A C -1.208 175.909 177.584 -0.778 0.000 1.048 546 A CA -0.565 50.754 52.037 -1.198 0.000 0.661 546 A CB 1.783 20.394 19.000 -0.648 0.000 1.288 546 A HN -0.112 nan 8.150 nan 0.000 0.424 547 T N -0.040 114.068 114.554 -0.744 0.000 2.893 547 T HA 0.637 4.986 4.350 -0.001 0.000 0.293 547 T C -1.683 172.860 174.700 -0.261 0.000 1.027 547 T CA -0.288 61.633 62.100 -0.298 0.000 0.988 547 T CB 0.756 69.570 68.868 -0.090 0.000 1.043 547 T HN 1.274 nan 8.240 nan 0.000 0.461 548 F N 4.344 124.110 119.950 -0.307 0.000 2.436 548 F HA 0.755 5.281 4.527 -0.001 0.000 0.340 548 F C -0.137 175.457 175.800 -0.343 0.000 1.113 548 F CA -0.836 56.971 58.000 -0.322 0.000 1.022 548 F CB 0.898 39.764 39.000 -0.223 0.000 1.128 548 F HN 0.518 nan 8.300 nan 0.000 0.466 549 R N 6.307 126.074 120.500 -1.221 0.000 2.532 549 R HA 0.391 4.730 4.340 -0.001 0.000 0.297 549 R C -2.757 172.811 176.300 -1.221 0.000 0.984 549 R CA -1.959 53.509 56.100 -1.054 0.000 0.884 549 R CB 1.912 31.789 30.300 -0.705 0.000 1.182 549 R HN 0.404 nan 8.270 nan 0.000 0.442 550 P HA -0.083 nan 4.420 nan 0.000 0.269 550 P C -0.882 176.082 177.300 -0.561 0.000 1.215 550 P CA -0.130 62.545 63.100 -0.708 0.000 0.780 550 P CB 0.592 31.882 31.700 -0.683 0.000 0.898 551 E N 1.980 122.102 120.200 -0.129 0.000 2.129 551 E HA 0.015 4.364 4.350 -0.001 0.000 0.283 551 E C 0.264 177.002 176.600 0.230 0.000 1.080 551 E CA -0.235 56.253 56.400 0.147 0.000 0.867 551 E CB 0.014 29.927 29.700 0.355 0.000 1.056 551 E HN 0.416 nan 8.360 nan 0.000 0.404 552 W N 2.523 123.949 121.300 0.210 0.000 2.290 552 W HA -0.335 4.324 4.660 -0.001 0.000 0.318 552 W C 2.544 179.401 176.519 0.563 0.000 1.248 552 W CA 1.253 58.787 57.345 0.316 0.000 1.263 552 W CB -0.202 29.381 29.460 0.205 0.000 1.147 552 W HN 0.615 nan 8.180 nan 0.000 0.494 553 S N -0.625 115.464 115.700 0.649 0.000 2.481 553 S HA -0.023 4.446 4.470 -0.001 0.000 0.231 553 S C 0.928 175.885 174.600 0.594 0.000 0.996 553 S CA 0.514 59.057 58.200 0.572 0.000 0.942 553 S CB -0.155 63.315 63.200 0.450 0.000 0.768 553 S HN -0.058 nan 8.310 nan 0.000 0.520 554 K N 1.017 121.711 120.400 0.489 0.000 2.583 554 K HA 0.585 4.905 4.320 -0.001 0.000 0.263 554 K C 0.644 177.452 176.600 0.345 0.000 1.038 554 K CA -0.335 56.095 56.287 0.238 0.000 1.031 554 K CB -0.440 32.115 32.500 0.091 0.000 1.399 554 K HN 0.193 nan 8.250 nan 0.000 0.531 555 G N 0.352 109.221 108.800 0.115 0.000 2.444 555 G HA2 0.467 4.426 3.960 -0.001 0.000 0.268 555 G HA3 0.467 4.426 3.960 -0.001 0.000 0.268 555 G C -0.658 174.126 174.900 -0.193 0.000 1.203 555 G CA -0.536 44.379 45.100 -0.308 0.000 0.835 555 G HN 0.534 nan 8.290 nan 0.000 0.543 556 W N -2.080 118.721 121.300 -0.831 0.000 2.926 556 W HA 0.492 5.151 4.660 -0.002 0.000 0.361 556 W C 0.254 176.416 176.519 -0.595 0.000 1.195 556 W CA -0.982 56.112 57.345 -0.418 0.000 1.177 556 W CB 0.861 30.319 29.460 -0.004 0.000 1.453 556 W HN 1.776 nan 8.180 nan 0.000 0.571 557 A N 0.181 123.109 122.820 0.181 0.000 2.739 557 A HA -0.200 4.119 4.320 -0.001 0.000 0.296 557 A C -0.663 176.828 177.584 -0.156 0.000 1.488 557 A CA 0.893 53.007 52.037 0.129 0.000 0.746 557 A CB -2.627 16.555 19.000 0.304 0.000 1.047 557 A HN 0.577 nan 8.150 nan 0.000 0.477 558 F N -0.513 119.428 119.950 -0.014 0.000 2.502 558 F HA 0.434 4.960 4.527 -0.001 0.000 0.371 558 F C 1.493 177.285 175.800 -0.013 0.000 1.083 558 F CA 1.198 59.146 58.000 -0.086 0.000 1.174 558 F CB 1.118 40.114 39.000 -0.007 0.000 1.096 558 F HN 0.404 nan 8.300 nan 0.000 0.545 559 G N 4.200 113.058 108.800 0.096 0.000 4.432 559 G HA2 0.168 4.128 3.960 -0.001 0.000 0.294 559 G HA3 0.168 4.128 3.960 -0.001 0.000 0.294 559 G C -1.573 173.382 174.900 0.092 0.000 1.141 559 G CA -0.380 44.779 45.100 0.099 0.000 0.895 559 G HN 0.470 nan 8.290 nan 0.000 0.548 560 P HA 0.083 nan 4.420 nan 0.000 0.230 560 P C -0.394 177.002 177.300 0.161 0.000 1.168 560 P CA 0.112 63.319 63.100 0.180 0.000 0.793 560 P CB 0.683 32.493 31.700 0.185 0.000 0.851 561 D N 2.995 123.411 120.400 0.028 0.000 2.443 561 D HA 0.086 4.725 4.640 -0.001 0.000 0.239 561 D C -1.934 174.083 176.300 -0.472 0.000 1.136 561 D CA -1.233 52.617 54.000 -0.250 0.000 0.879 561 D CB -0.033 40.703 40.800 -0.107 0.000 1.195 561 D HN 0.235 nan 8.370 nan 0.000 0.443 562 P HA -0.081 nan 4.420 nan 0.000 0.269 562 P C -0.315 176.309 177.300 -1.126 0.000 1.209 562 P CA 0.060 62.253 63.100 -1.511 0.000 0.776 562 P CB 0.193 30.742 31.700 -1.918 0.000 0.876 563 Y N -0.894 118.976 120.300 -0.717 0.000 4.668 563 Y HA -0.258 4.291 4.550 -0.001 0.000 0.234 563 Y C 1.348 177.124 175.900 -0.208 0.000 1.056 563 Y CA 0.917 58.680 58.100 -0.562 0.000 2.025 563 Y CB -3.046 34.819 38.460 -0.992 0.000 1.613 563 Y HN 0.518 nan 8.280 nan 0.000 0.653 564 T N -4.603 109.901 114.554 -0.082 0.000 3.003 564 T HA 0.065 4.415 4.350 -0.001 0.000 0.261 564 T C 0.268 175.009 174.700 0.069 0.000 1.003 564 T CA 0.271 62.385 62.100 0.022 0.000 0.917 564 T CB 0.387 69.248 68.868 -0.012 0.000 1.084 564 T HN 0.323 nan 8.240 nan 0.000 0.522 565 D N 2.100 122.544 120.400 0.073 0.000 2.359 565 D HA 0.117 4.756 4.640 -0.001 0.000 0.250 565 D C 0.876 177.261 176.300 0.142 0.000 1.264 565 D CA -0.038 54.026 54.000 0.107 0.000 0.911 565 D CB 0.613 41.486 40.800 0.122 0.000 1.056 565 D HN 0.208 nan 8.370 nan 0.000 0.499 566 N N 3.539 122.314 118.700 0.124 0.000 2.149 566 N HA -0.233 4.506 4.740 -0.001 0.000 0.188 566 N C 1.281 176.865 175.510 0.123 0.000 1.019 566 N CA 1.546 54.675 53.050 0.130 0.000 0.857 566 N CB 0.126 38.675 38.487 0.103 0.000 0.997 566 N HN 0.448 nan 8.380 nan 0.000 0.426 567 D N -0.587 119.876 120.400 0.105 0.000 2.117 567 D HA -0.049 4.591 4.640 -0.001 0.000 0.198 567 D C 1.892 178.251 176.300 0.099 0.000 0.982 567 D CA 0.958 55.011 54.000 0.088 0.000 0.828 567 D CB -0.027 40.815 40.800 0.071 0.000 0.967 567 D HN 0.360 nan 8.370 nan 0.000 0.464 568 I N -0.376 120.273 120.570 0.130 0.000 2.202 568 I HA -0.207 3.963 4.170 -0.001 0.000 0.242 568 I C 2.307 178.543 176.117 0.198 0.000 1.091 568 I CA 0.494 61.886 61.300 0.152 0.000 1.368 568 I CB -0.147 37.977 38.000 0.206 0.000 1.058 568 I HN -0.002 nan 8.210 nan 0.000 0.410 569 V N 0.788 120.867 119.914 0.276 0.000 2.295 569 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 569 V C 2.505 178.724 176.094 0.208 0.000 1.049 569 V CA 2.575 65.080 62.300 0.341 0.000 1.024 569 V CB -1.109 30.930 31.823 0.361 0.000 0.648 569 V HN 0.644 nan 8.190 nan 0.000 0.447 570 T N -3.450 111.194 114.554 0.151 0.000 3.065 570 T HA 0.046 4.395 4.350 -0.001 0.000 0.252 570 T C 1.446 176.197 174.700 0.084 0.000 1.099 570 T CA 0.914 63.086 62.100 0.120 0.000 1.063 570 T CB 0.024 68.955 68.868 0.104 0.000 0.948 570 T HN 0.476 nan 8.240 nan 0.000 0.506 571 N N 0.208 118.940 118.700 0.053 0.000 2.631 571 N HA 0.077 4.816 4.740 -0.001 0.000 0.255 571 N C 1.321 176.804 175.510 -0.044 0.000 1.037 571 N CA 0.052 53.110 53.050 0.013 0.000 0.919 571 N CB 0.416 38.919 38.487 0.027 0.000 1.708 571 N HN -0.012 nan 8.380 nan 0.000 0.530 572 K N 0.984 121.366 120.400 -0.029 0.000 2.148 572 K HA 0.057 4.376 4.320 -0.001 0.000 0.204 572 K C 1.930 178.433 176.600 -0.162 0.000 1.050 572 K CA 0.729 56.976 56.287 -0.068 0.000 0.942 572 K CB -0.181 32.311 32.500 -0.014 0.000 0.724 572 K HN 0.296 nan 8.250 nan 0.000 0.446 573 M N 0.422 119.908 119.600 -0.189 0.000 2.117 573 M HA -0.107 4.372 4.480 -0.001 0.000 0.262 573 M C 2.218 178.117 176.300 -0.668 0.000 1.065 573 M CA 1.376 56.462 55.300 -0.356 0.000 1.114 573 M CB -0.943 31.484 32.600 -0.290 0.000 1.361 573 M HN 0.146 nan 8.290 nan 0.000 0.408 574 R N 0.464 120.498 120.500 -0.776 0.000 2.073 574 R HA -0.112 4.227 4.340 -0.001 0.000 0.234 574 R C 2.178 178.237 176.300 -0.402 0.000 1.134 574 R CA 1.871 57.389 56.100 -0.971 0.000 0.952 574 R CB -0.316 29.734 30.300 -0.416 0.000 0.850 574 R HN 0.282 nan 8.270 nan 0.000 0.433 575 A N 0.195 122.869 122.820 -0.243 0.000 1.908 575 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 575 A C 2.232 179.709 177.584 -0.179 0.000 1.181 575 A CA 2.170 54.119 52.037 -0.146 0.000 0.627 575 A CB -1.089 17.847 19.000 -0.106 0.000 0.818 575 A HN 0.520 nan 8.150 nan 0.000 0.445 576 T N -1.480 112.913 114.554 -0.268 0.000 2.759 576 T HA -0.150 4.199 4.350 -0.001 0.000 0.269 576 T C 1.088 175.478 174.700 -0.516 0.000 1.042 576 T CA 1.671 63.529 62.100 -0.404 0.000 1.140 576 T CB -0.390 68.149 68.868 -0.548 0.000 0.864 576 T HN 0.591 nan 8.240 nan 0.000 0.455 577 Y N 0.829 121.023 120.300 -0.176 0.000 2.583 577 Y HA 0.370 4.919 4.550 -0.001 0.000 0.294 577 Y C 1.571 177.525 175.900 0.091 0.000 1.170 577 Y CA -0.419 57.688 58.100 0.010 0.000 1.265 577 Y CB -0.370 38.210 38.460 0.201 0.000 1.119 577 Y HN 0.335 nan 8.280 nan 0.000 0.522 578 I N -4.526 116.093 120.570 0.081 0.000 4.439 578 I HA 0.260 4.430 4.170 -0.001 0.000 0.331 578 I C 0.451 176.585 176.117 0.028 0.000 1.345 578 I CA -0.226 61.130 61.300 0.093 0.000 1.193 578 I CB 0.331 38.382 38.000 0.084 0.000 1.221 578 I HN -0.148 nan 8.210 nan 0.000 0.429 579 E N 2.573 122.762 120.200 -0.019 0.000 2.324 579 E HA 0.305 4.655 4.350 -0.001 0.000 0.271 579 E C 1.247 177.837 176.600 -0.015 0.000 1.028 579 E CA 0.783 57.166 56.400 -0.029 0.000 0.890 579 E CB 0.554 30.220 29.700 -0.057 0.000 1.004 579 E HN 0.522 nan 8.360 nan 0.000 0.431 580 G N 2.664 111.450 108.800 -0.023 0.000 2.189 580 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.267 580 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.267 580 G C 0.175 175.051 174.900 -0.041 0.000 0.975 580 G CA 0.578 45.649 45.100 -0.048 0.000 0.644 580 G HN 0.739 nan 8.290 nan 0.000 0.537 581 V N -3.309 116.600 119.914 -0.008 0.000 2.960 581 V HA 0.906 5.025 4.120 -0.001 0.000 0.315 581 V C -2.020 174.079 176.094 0.007 0.000 1.087 581 V CA -2.819 59.486 62.300 0.008 0.000 0.982 581 V CB 1.580 33.433 31.823 0.050 0.000 1.039 581 V HN 0.032 nan 8.190 nan 0.000 0.437 582 P HA 0.217 nan 4.420 nan 0.000 0.269 582 P C 1.005 178.314 177.300 0.014 0.000 1.209 582 P CA 0.224 63.325 63.100 0.001 0.000 0.776 582 P CB 0.525 32.222 31.700 -0.004 0.000 0.876 583 T N -3.251 111.308 114.554 0.009 0.000 3.113 583 T HA -0.091 4.258 4.350 -0.001 0.000 0.263 583 T C 1.150 175.855 174.700 0.009 0.000 1.143 583 T CA 1.291 63.400 62.100 0.016 0.000 1.090 583 T CB -1.074 67.800 68.868 0.010 0.000 0.922 583 T HN 0.507 nan 8.240 nan 0.000 0.521 584 T N -1.640 112.915 114.554 0.001 0.000 3.086 584 T HA 0.302 4.651 4.350 -0.001 0.000 0.250 584 T C 0.406 175.098 174.700 -0.013 0.000 1.074 584 T CA -0.081 62.014 62.100 -0.009 0.000 0.988 584 T CB -0.027 68.835 68.868 -0.011 0.000 0.988 584 T HN 0.393 nan 8.240 nan 0.000 0.530 585 E N 1.682 121.882 120.200 -0.000 0.000 3.079 585 E HA 0.288 4.637 4.350 -0.001 0.000 0.329 585 E C -0.884 175.737 176.600 0.036 0.000 1.166 585 E CA -0.514 55.886 56.400 0.000 0.000 0.876 585 E CB 0.000 29.701 29.700 0.001 0.000 1.479 585 E HN 0.552 nan 8.360 nan 0.000 0.384 586 N N -0.208 118.521 118.700 0.049 0.000 3.387 586 N HA 0.184 4.923 4.740 -0.001 0.000 0.322 586 N C 0.620 176.229 175.510 0.165 0.000 1.588 586 N CA -0.794 52.337 53.050 0.135 0.000 0.778 586 N CB -0.322 38.254 38.487 0.149 0.000 1.883 586 N HN 0.175 nan 8.380 nan 0.000 0.628 587 W N 0.583 121.925 121.300 0.070 0.000 2.305 587 W HA -0.215 4.444 4.660 -0.001 0.000 0.308 587 W C 0.045 176.560 176.519 -0.008 0.000 1.226 587 W CA 2.448 59.827 57.345 0.057 0.000 1.253 587 W CB -0.216 29.325 29.460 0.136 0.000 1.146 587 W HN 0.491 nan 8.180 nan 0.000 0.507 588 D N -0.511 119.983 120.400 0.158 0.000 2.144 588 D HA -0.135 4.505 4.640 -0.001 0.000 0.200 588 D C 2.113 178.350 176.300 -0.105 0.000 0.978 588 D CA 2.035 56.045 54.000 0.017 0.000 0.833 588 D CB -0.749 40.100 40.800 0.082 0.000 0.961 588 D HN 0.113 nan 8.370 nan 0.000 0.470 589 T N 0.856 115.355 114.554 -0.091 0.000 2.746 589 T HA -0.111 4.238 4.350 -0.001 0.000 0.267 589 T C 2.052 176.580 174.700 -0.287 0.000 1.039 589 T CA 1.453 63.468 62.100 -0.142 0.000 1.142 589 T CB -0.218 68.591 68.868 -0.097 0.000 0.866 589 T HN 0.197 nan 8.240 nan 0.000 0.444 590 A N 1.892 124.478 122.820 -0.390 0.000 1.858 590 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 590 A C 2.381 179.367 177.584 -0.998 0.000 1.190 590 A CA 1.502 53.085 52.037 -0.757 0.000 0.617 590 A CB -0.540 18.039 19.000 -0.701 0.000 0.827 590 A HN 0.410 nan 8.150 nan 0.000 0.443 591 R N -0.398 119.719 120.500 -0.639 0.000 2.091 591 R HA -0.117 4.222 4.340 -0.001 0.000 0.238 591 R C 2.446 178.593 176.300 -0.255 0.000 1.136 591 R CA 1.334 57.211 56.100 -0.372 0.000 0.959 591 R CB -0.527 29.601 30.300 -0.286 0.000 0.856 591 R HN 0.522 nan 8.270 nan 0.000 0.437 592 A N 1.074 123.749 122.820 -0.243 0.000 1.902 592 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 592 A C 2.130 179.614 177.584 -0.166 0.000 1.181 592 A CA 1.615 53.557 52.037 -0.159 0.000 0.623 592 A CB -0.384 18.540 19.000 -0.127 0.000 0.818 592 A HN 0.114 nan 8.150 nan 0.000 0.443 593 R N -0.764 119.571 120.500 -0.275 0.000 2.066 593 R HA -0.100 4.240 4.340 -0.001 0.000 0.232 593 R C 1.826 178.056 176.300 -0.116 0.000 1.131 593 R CA 1.948 57.906 56.100 -0.237 0.000 0.955 593 R CB -1.082 29.002 30.300 -0.359 0.000 0.851 593 R HN 0.693 nan 8.270 nan 0.000 0.432 594 Y N 0.118 120.349 120.300 -0.114 0.000 2.181 594 Y HA -0.198 4.351 4.550 -0.002 0.000 0.288 594 Y C 1.936 177.808 175.900 -0.047 0.000 1.146 594 Y CA 0.811 58.861 58.100 -0.083 0.000 1.164 594 Y CB -0.188 38.191 38.460 -0.135 0.000 0.982 594 Y HN 0.180 nan 8.280 nan 0.000 0.515 595 N N -0.104 118.637 118.700 0.069 0.000 2.270 595 N HA -0.166 4.573 4.740 -0.001 0.000 0.181 595 N C 1.828 177.314 175.510 -0.040 0.000 1.016 595 N CA 0.804 53.850 53.050 -0.006 0.000 0.870 595 N CB -0.408 38.052 38.487 -0.045 0.000 0.979 595 N HN 0.405 nan 8.380 nan 0.000 0.431 596 Q N 1.084 120.873 119.800 -0.018 0.000 2.079 596 Q HA -0.008 4.331 4.340 -0.001 0.000 0.200 596 Q C 1.933 177.968 176.000 0.059 0.000 0.974 596 Q CA 0.908 56.709 55.803 -0.004 0.000 0.840 596 Q CB -0.140 28.600 28.738 0.004 0.000 0.898 596 Q HN 0.385 nan 8.270 nan 0.000 0.430 597 I N 0.621 121.260 120.570 0.115 0.000 2.439 597 I HA -0.160 4.010 4.170 -0.001 0.000 0.251 597 I C 0.465 176.754 176.117 0.287 0.000 1.139 597 I CA 1.070 62.504 61.300 0.224 0.000 1.438 597 I CB 0.120 38.270 38.000 0.250 0.000 1.085 597 I HN 0.111 nan 8.210 nan 0.000 0.427 598 D N 0.178 120.686 120.400 0.179 0.000 2.621 598 D HA 0.128 4.767 4.640 -0.001 0.000 0.274 598 D C -1.730 174.496 176.300 -0.123 0.000 1.215 598 D CA -1.825 52.271 54.000 0.160 0.000 0.810 598 D CB 0.754 41.724 40.800 0.283 0.000 1.248 598 D HN -0.041 nan 8.370 nan 0.000 0.517 599 P HA -0.111 nan 4.420 nan 0.000 0.225 599 P C 0.489 177.414 177.300 -0.625 0.000 1.148 599 P CA 0.930 63.683 63.100 -0.579 0.000 0.779 599 P CB 0.089 31.288 31.700 -0.836 0.000 0.780 600 H N -0.526 118.326 119.070 -0.362 0.000 2.539 600 H HA 0.299 4.854 4.556 -0.001 0.000 0.269 600 H C 0.317 175.537 175.328 -0.180 0.000 0.980 600 H CA -0.363 55.491 56.048 -0.323 0.000 1.152 600 H CB -0.171 29.248 29.762 -0.572 0.000 1.407 600 H HN -0.080 nan 8.280 nan 0.000 0.564 601 R N 0.021 120.471 120.500 -0.084 0.000 3.416 601 R HA -0.175 4.165 4.340 -0.001 0.000 0.263 601 R C 0.409 176.658 176.300 -0.085 0.000 1.053 601 R CA 0.306 56.372 56.100 -0.057 0.000 0.705 601 R CB -2.178 28.101 30.300 -0.035 0.000 1.124 601 R HN 0.243 nan 8.270 nan 0.000 0.444 602 V N -0.562 119.216 119.914 -0.227 0.000 2.427 602 V HA -0.157 3.963 4.120 -0.001 0.000 0.248 602 V C 1.243 177.168 176.094 -0.282 0.000 1.051 602 V CA 1.812 63.895 62.300 -0.361 0.000 1.048 602 V CB -0.226 31.137 31.823 -0.767 0.000 0.666 602 V HN 0.335 nan 8.190 nan 0.000 0.456 603 F N 1.437 121.412 119.950 0.040 0.000 2.640 603 F HA 0.399 4.926 4.527 -0.000 0.000 0.331 603 F C 0.678 176.474 175.800 -0.007 0.000 1.200 603 F CA -0.276 57.751 58.000 0.044 0.000 1.278 603 F CB -0.122 38.913 39.000 0.058 0.000 1.571 603 F HN 0.178 nan 8.300 nan 0.000 0.576 604 T N -2.083 112.547 114.554 0.126 0.000 2.762 604 T HA 0.662 5.011 4.350 -0.001 0.000 0.301 604 T C -1.037 173.695 174.700 0.053 0.000 1.299 604 T CA -0.951 61.184 62.100 0.058 0.000 1.005 604 T CB 2.580 71.459 68.868 0.020 0.000 1.377 604 T HN 0.238 nan 8.240 nan 0.000 0.504 605 N N -1.522 117.203 118.700 0.040 0.000 2.972 605 N HA 0.513 5.252 4.740 -0.001 0.000 0.262 605 N C 1.330 176.874 175.510 0.055 0.000 1.478 605 N CA -0.368 52.710 53.050 0.046 0.000 0.841 605 N CB 0.324 38.840 38.487 0.047 0.000 1.512 605 N HN 0.889 nan 8.380 nan 0.000 0.548 606 G N -0.186 108.655 108.800 0.067 0.000 2.469 606 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.219 606 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.219 606 G C 0.891 175.866 174.900 0.125 0.000 1.150 606 G CA 0.986 46.135 45.100 0.081 0.000 0.763 606 G HN 0.470 nan 8.290 nan 0.000 0.561 607 F N 1.123 121.074 119.950 0.001 0.000 2.146 607 F HA 0.102 4.629 4.527 -0.001 0.000 0.298 607 F C 2.750 178.575 175.800 0.041 0.000 1.096 607 F CA 1.338 59.345 58.000 0.012 0.000 1.275 607 F CB -0.202 38.773 39.000 -0.041 0.000 1.008 607 F HN 0.072 nan 8.300 nan 0.000 0.480 608 M N -0.091 119.466 119.600 -0.072 0.000 2.213 608 M HA -0.206 4.273 4.480 -0.001 0.000 0.263 608 M C 1.448 177.671 176.300 -0.129 0.000 1.062 608 M CA 1.578 56.782 55.300 -0.160 0.000 1.105 608 M CB -0.544 32.020 32.600 -0.060 0.000 1.385 608 M HN 0.015 nan 8.290 nan 0.000 0.417 609 D N 0.456 120.819 120.400 -0.061 0.000 2.224 609 D HA -0.080 4.559 4.640 -0.001 0.000 0.205 609 D C 1.831 178.116 176.300 -0.026 0.000 0.965 609 D CA 1.069 55.051 54.000 -0.030 0.000 0.852 609 D CB -0.050 40.751 40.800 0.000 0.000 0.947 609 D HN 0.378 nan 8.370 nan 0.000 0.494 610 K N -0.209 120.157 120.400 -0.057 0.000 2.137 610 K HA 0.011 4.330 4.320 -0.001 0.000 0.202 610 K C 1.924 178.512 176.600 -0.019 0.000 1.052 610 K CA 0.168 56.443 56.287 -0.021 0.000 0.961 610 K CB 0.152 32.657 32.500 0.008 0.000 0.741 610 K HN 0.023 nan 8.250 nan 0.000 0.452 611 L N 0.603 121.740 121.223 -0.144 0.000 2.068 611 L HA 0.035 4.375 4.340 -0.001 0.000 0.204 611 L C 0.725 177.704 176.870 0.182 0.000 1.076 611 L CA 1.566 56.415 54.840 0.015 0.000 0.753 611 L CB 0.226 42.185 42.059 -0.166 0.000 0.910 611 L HN 0.005 nan 8.230 nan 0.000 0.439 612 L N 1.990 123.220 121.223 0.011 0.000 2.784 612 L HA 0.356 4.695 4.340 -0.001 0.000 0.241 612 L C -2.120 174.738 176.870 -0.020 0.000 1.352 612 L CA -1.620 53.200 54.840 -0.033 0.000 0.911 612 L CB 0.250 42.219 42.059 -0.150 0.000 1.227 612 L HN 0.110 nan 8.230 nan 0.000 0.501 613 P HA 0.000 nan 4.420 nan 0.000 0.216 613 P CA 0.000 63.109 63.100 0.015 0.000 0.800 613 P CB 0.000 31.725 31.700 0.042 0.000 0.726