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 2h2e_1_B DATA FIRST_RESID 49 DATA SEQUENCE SLSPAVQTFW KWLQEEGVIT AKTPVKASVV TEGLGLVALK DISRNDVILQ DATA SEQUENCE VPKRLWINPD AVAASEIGRV CSELKPWLSV ILFLIRERSR EDSVWKHYFG DATA SEQUENCE ILPQETDSTI YWSEEELQEL QGSQLLKTTV SVKEYVKNEC LKLEQEIILP DATA SEQUENCE NKRLFPDPVT LDDFFWAFGI LRSRAFSRLR NENLVVVPMA DLINHSAGVT DATA SEQUENCE TEDHAYEVKG AAGLFSWDYL FSLKSPLSVK AGEQVYIQYD LNKSNAELAL DATA SEQUENCE DYGFIEPNEN RHAYTLTLEI SESDPFFDDK LDVAESNGFA QTAYFDIFYN DATA SEQUENCE RTLPPGLLPY LRLVALGGTD AFLLESLFRD TIWGHLELSV SRDNEELLCK DATA SEQUENCE AVREACKSAL AGYHTTIEQD RELKEGNLDS RLAIAVGIRE GEKMVLQQID DATA SEQUENCE GIFEQKELEL DQLEYYQERR LKDLGLCGEN GDILENLYFQ 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.615 174.600 0.025 0.000 1.055 49 S CA 0.000 58.211 58.200 0.018 0.000 1.107 49 S CB 0.000 63.209 63.200 0.016 0.000 0.593 50 L N 1.599 122.836 121.223 0.022 0.000 2.022 50 L HA 0.069 4.408 4.340 -0.000 0.000 0.204 50 L C 2.152 179.042 176.870 0.033 0.000 1.076 50 L CA 1.668 56.524 54.840 0.027 0.000 0.749 50 L CB -0.454 41.616 42.059 0.019 0.000 0.903 50 L HN 0.274 nan 8.230 nan 0.000 0.439 51 S N 0.548 116.261 115.700 0.021 0.000 2.400 51 S HA -0.152 4.318 4.470 -0.000 0.000 0.234 51 S C -0.776 173.847 174.600 0.038 0.000 1.049 51 S CA 2.027 60.237 58.200 0.018 0.000 1.039 51 S CB -1.403 61.800 63.200 0.005 0.000 0.856 51 S HN 0.532 nan 8.310 nan 0.000 0.465 52 P HA 0.067 nan 4.420 nan 0.000 0.217 52 P C 1.338 178.687 177.300 0.082 0.000 1.154 52 P CA 1.352 64.484 63.100 0.055 0.000 0.841 52 P CB -0.105 31.620 31.700 0.043 0.000 0.788 53 A N 0.074 122.944 122.820 0.083 0.000 1.972 53 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 53 A C 2.459 180.145 177.584 0.171 0.000 1.169 53 A CA 1.605 53.709 52.037 0.112 0.000 0.635 53 A CB -1.601 17.447 19.000 0.080 0.000 0.810 53 A HN 0.057 nan 8.150 nan 0.000 0.446 54 V N 0.354 120.360 119.914 0.154 0.000 2.379 54 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 54 V C 2.754 179.041 176.094 0.321 0.000 1.044 54 V CA 2.108 64.547 62.300 0.232 0.000 1.036 54 V CB -0.754 31.139 31.823 0.116 0.000 0.664 54 V HN 0.839 nan 8.190 nan 0.000 0.453 55 Q N 0.031 119.947 119.800 0.193 0.000 2.124 55 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 55 Q C 2.067 178.206 176.000 0.233 0.000 0.977 55 Q CA 2.313 58.230 55.803 0.190 0.000 0.850 55 Q CB -0.328 28.469 28.738 0.098 0.000 0.901 55 Q HN 0.597 nan 8.270 nan 0.000 0.429 56 T N 0.901 115.567 114.554 0.187 0.000 2.833 56 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 56 T C 1.219 176.018 174.700 0.164 0.000 1.054 56 T CA 1.212 63.365 62.100 0.088 0.000 1.135 56 T CB -0.357 68.530 68.868 0.031 0.000 0.869 56 T HN 0.362 nan 8.240 nan 0.000 0.466 57 F N 0.491 120.572 119.950 0.218 0.000 2.098 57 F HA 0.061 4.588 4.527 -0.000 0.000 0.294 57 F C 2.200 178.292 175.800 0.487 0.000 1.107 57 F CA 0.654 58.898 58.000 0.407 0.000 1.234 57 F CB -0.550 38.710 39.000 0.434 0.000 1.002 57 F HN 0.215 nan 8.300 nan 0.000 0.472 58 W N 1.620 122.991 121.300 0.119 0.000 2.335 58 W HA -0.275 4.385 4.660 -0.000 0.000 0.311 58 W C 2.536 179.023 176.519 -0.053 0.000 1.213 58 W CA 2.015 59.328 57.345 -0.053 0.000 1.274 58 W CB -0.419 29.070 29.460 0.049 0.000 1.148 58 W HN 0.099 nan 8.180 nan 0.000 0.498 59 K N -0.264 120.263 120.400 0.212 0.000 2.009 59 K HA -0.285 4.035 4.320 -0.000 0.000 0.210 59 K C 1.912 178.531 176.600 0.031 0.000 1.049 59 K CA 2.244 58.586 56.287 0.091 0.000 0.929 59 K CB -1.090 31.464 32.500 0.091 0.000 0.714 59 K HN 0.106 nan 8.250 nan 0.000 0.440 60 W N 1.709 122.946 121.300 -0.105 0.000 2.304 60 W HA -0.245 4.415 4.660 -0.000 0.000 0.315 60 W C 1.391 177.820 176.519 -0.150 0.000 1.233 60 W CA 1.639 58.939 57.345 -0.076 0.000 1.261 60 W CB -0.447 29.060 29.460 0.077 0.000 1.150 60 W HN 0.071 nan 8.180 nan 0.000 0.494 61 L N 0.269 121.194 121.223 -0.496 0.000 2.141 61 L HA -0.224 4.115 4.340 -0.000 0.000 0.209 61 L C 2.684 179.203 176.870 -0.586 0.000 1.094 61 L CA 1.469 55.819 54.840 -0.817 0.000 0.763 61 L CB -0.899 40.624 42.059 -0.893 0.000 0.908 61 L HN 0.143 nan 8.230 nan 0.000 0.437 62 Q N -0.137 119.416 119.800 -0.411 0.000 2.079 62 Q HA -0.211 4.129 4.340 -0.000 0.000 0.200 62 Q C 2.017 177.879 176.000 -0.229 0.000 0.974 62 Q CA 1.397 57.033 55.803 -0.278 0.000 0.840 62 Q CB -0.046 28.601 28.738 -0.151 0.000 0.898 62 Q HN 0.565 nan 8.270 nan 0.000 0.430 63 E N 0.789 120.859 120.200 -0.216 0.000 2.028 63 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 63 E C 1.795 178.253 176.600 -0.236 0.000 0.988 63 E CA 0.686 56.986 56.400 -0.166 0.000 0.799 63 E CB 0.078 29.729 29.700 -0.081 0.000 0.755 63 E HN 0.229 nan 8.360 nan 0.000 0.447 64 E N -0.361 119.587 120.200 -0.421 0.000 2.463 64 E HA -0.116 4.234 4.350 -0.000 0.000 0.201 64 E C 1.215 177.625 176.600 -0.316 0.000 1.045 64 E CA 0.862 57.002 56.400 -0.433 0.000 0.872 64 E CB 0.104 29.335 29.700 -0.781 0.000 0.797 64 E HN 0.486 nan 8.360 nan 0.000 0.538 65 G N 0.233 108.862 108.800 -0.285 0.000 2.179 65 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 65 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 65 G C 1.205 175.974 174.900 -0.217 0.000 0.977 65 G CA 0.504 45.481 45.100 -0.206 0.000 0.641 65 G HN 0.276 nan 8.290 nan 0.000 0.533 66 V N 0.619 120.350 119.914 -0.305 0.000 2.453 66 V HA 0.122 4.242 4.120 -0.000 0.000 0.247 66 V C 1.509 177.434 176.094 -0.281 0.000 1.048 66 V CA 1.247 63.382 62.300 -0.276 0.000 1.049 66 V CB -0.194 31.422 31.823 -0.346 0.000 0.672 66 V HN 0.422 nan 8.190 nan 0.000 0.457 67 I N 2.060 122.412 120.570 -0.363 0.000 2.307 67 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 67 I C 0.396 176.392 176.117 -0.202 0.000 1.021 67 I CA 0.419 61.510 61.300 -0.349 0.000 1.224 67 I CB 0.626 38.265 38.000 -0.602 0.000 1.376 67 I HN 0.304 nan 8.210 nan 0.000 0.470 68 T N 2.131 116.612 114.554 -0.122 0.000 2.942 68 T HA 0.626 4.976 4.350 -0.000 0.000 0.289 68 T C 1.126 175.811 174.700 -0.025 0.000 1.044 68 T CA -0.280 61.780 62.100 -0.067 0.000 1.023 68 T CB 2.060 70.896 68.868 -0.053 0.000 1.123 68 T HN 0.513 nan 8.240 nan 0.000 0.512 69 A N 0.611 123.427 122.820 -0.007 0.000 2.131 69 A HA -0.010 4.309 4.320 -0.000 0.000 0.220 69 A C 2.110 179.707 177.584 0.021 0.000 1.158 69 A CA 1.199 53.246 52.037 0.017 0.000 0.665 69 A CB -0.788 18.220 19.000 0.013 0.000 0.795 69 A HN 0.862 nan 8.150 nan 0.000 0.460 70 K N -0.352 120.054 120.400 0.009 0.000 2.418 70 K HA 0.006 4.326 4.320 -0.000 0.000 0.195 70 K C -0.104 176.510 176.600 0.024 0.000 1.035 70 K CA 0.364 56.659 56.287 0.014 0.000 1.003 70 K CB -0.039 32.464 32.500 0.005 0.000 0.793 70 K HN 0.356 nan 8.250 nan 0.000 0.494 71 T N 4.096 118.665 114.554 0.025 0.000 2.793 71 T HA 0.011 4.361 4.350 -0.000 0.000 0.289 71 T C -1.491 173.258 174.700 0.081 0.000 0.956 71 T CA -0.848 61.279 62.100 0.044 0.000 1.177 71 T CB 0.908 69.795 68.868 0.032 0.000 0.897 71 T HN 0.163 nan 8.240 nan 0.000 0.533 72 P HA 0.133 nan 4.420 nan 0.000 0.242 72 P C 0.136 177.489 177.300 0.088 0.000 1.197 72 P CA 0.325 63.467 63.100 0.070 0.000 0.765 72 P CB 0.442 32.174 31.700 0.053 0.000 0.936 73 V N 0.128 120.124 119.914 0.137 0.000 3.007 73 V HA 0.524 4.644 4.120 -0.000 0.000 0.311 73 V C -0.956 175.302 176.094 0.273 0.000 1.120 73 V CA -0.964 61.432 62.300 0.160 0.000 0.980 73 V CB 2.945 34.862 31.823 0.157 0.000 1.033 73 V HN 0.086 nan 8.190 nan 0.000 0.429 74 K N 4.118 124.603 120.400 0.142 0.000 2.400 74 K HA 0.932 5.252 4.320 -0.000 0.000 0.246 74 K C -0.806 175.648 176.600 -0.242 0.000 0.995 74 K CA -0.626 55.627 56.287 -0.057 0.000 0.840 74 K CB 2.243 34.638 32.500 -0.174 0.000 1.293 74 K HN 0.874 nan 8.250 nan 0.000 0.445 75 A N 1.032 123.406 122.820 -0.743 0.000 2.309 75 A HA 0.438 4.758 4.320 -0.000 0.000 0.290 75 A C -0.504 176.922 177.584 -0.263 0.000 1.206 75 A CA -0.336 51.462 52.037 -0.397 0.000 0.850 75 A CB 0.370 19.108 19.000 -0.436 0.000 1.118 75 A HN 0.608 nan 8.150 nan 0.000 0.523 76 S N 1.476 117.103 115.700 -0.121 0.000 2.599 76 S HA 0.594 5.064 4.470 -0.000 0.000 0.287 76 S C -0.741 173.833 174.600 -0.043 0.000 1.105 76 S CA -0.497 57.649 58.200 -0.090 0.000 0.899 76 S CB 1.416 64.568 63.200 -0.080 0.000 1.100 76 S HN 0.766 nan 8.310 nan 0.000 0.482 77 V N 3.698 123.593 119.914 -0.032 0.000 2.432 77 V HA 0.473 4.593 4.120 -0.000 0.000 0.271 77 V C -0.039 176.052 176.094 -0.005 0.000 1.046 77 V CA -0.223 62.072 62.300 -0.009 0.000 0.945 77 V CB 0.697 32.517 31.823 -0.005 0.000 0.992 77 V HN 0.670 nan 8.190 nan 0.000 0.471 78 V N 3.615 123.533 119.914 0.007 0.000 3.158 78 V HA 0.303 4.423 4.120 -0.000 0.000 0.315 78 V C 1.381 177.492 176.094 0.028 0.000 1.148 78 V CA -0.315 61.993 62.300 0.013 0.000 1.042 78 V CB 1.886 33.714 31.823 0.008 0.000 1.101 78 V HN 0.820 nan 8.190 nan 0.000 0.448 79 T N 1.474 116.048 114.554 0.034 0.000 2.737 79 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 79 T C 1.097 175.824 174.700 0.044 0.000 1.040 79 T CA 2.029 64.150 62.100 0.036 0.000 1.142 79 T CB -0.178 68.711 68.868 0.036 0.000 0.861 79 T HN 0.854 nan 8.240 nan 0.000 0.456 80 E N 0.974 121.208 120.200 0.056 0.000 2.311 80 E HA 0.400 4.750 4.350 -0.000 0.000 0.198 80 E C 1.178 177.824 176.600 0.077 0.000 1.115 80 E CA 0.365 56.804 56.400 0.066 0.000 1.140 80 E CB -0.200 29.539 29.700 0.065 0.000 1.204 80 E HN 0.475 nan 8.360 nan 0.000 0.446 81 G N 1.242 110.079 108.800 0.062 0.000 2.848 81 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 81 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 81 G C -0.588 174.342 174.900 0.051 0.000 1.374 81 G CA -0.259 44.878 45.100 0.060 0.000 0.982 81 G HN 0.234 nan 8.290 nan 0.000 0.563 82 L N 1.705 122.965 121.223 0.062 0.000 2.325 82 L HA 0.738 5.078 4.340 -0.000 0.000 0.278 82 L C 0.906 177.817 176.870 0.069 0.000 1.023 82 L CA -0.123 54.752 54.840 0.057 0.000 0.811 82 L CB 1.591 43.691 42.059 0.069 0.000 1.249 82 L HN 1.141 nan 8.230 nan 0.000 0.431 83 G N 2.257 111.082 108.800 0.042 0.000 2.766 83 G HA2 0.687 4.647 3.960 -0.000 0.000 0.288 83 G HA3 0.687 4.647 3.960 -0.000 0.000 0.288 83 G C -1.555 173.358 174.900 0.021 0.000 1.408 83 G CA -0.726 44.389 45.100 0.025 0.000 0.852 83 G HN 0.352 nan 8.290 nan 0.000 0.487 84 L N 0.499 121.725 121.223 0.005 0.000 2.296 84 L HA 0.595 4.934 4.340 -0.000 0.000 0.286 84 L C -0.410 176.436 176.870 -0.041 0.000 1.023 84 L CA -0.964 53.898 54.840 0.036 0.000 0.812 84 L CB 1.813 43.932 42.059 0.101 0.000 1.223 84 L HN 0.129 nan 8.230 nan 0.000 0.421 85 V N 2.495 122.390 119.914 -0.032 0.000 2.513 85 V HA 0.512 4.632 4.120 -0.000 0.000 0.299 85 V C 0.477 176.562 176.094 -0.015 0.000 1.035 85 V CA -0.794 61.476 62.300 -0.050 0.000 0.889 85 V CB 1.828 33.615 31.823 -0.059 0.000 0.988 85 V HN 0.880 nan 8.190 nan 0.000 0.440 86 A N 4.746 127.556 122.820 -0.018 0.000 2.546 86 A HA 0.344 4.664 4.320 -0.000 0.000 0.243 86 A C 0.697 178.287 177.584 0.011 0.000 1.063 86 A CA 0.175 52.215 52.037 0.005 0.000 0.757 86 A CB -0.055 18.945 19.000 0.001 0.000 0.991 86 A HN 0.914 nan 8.150 nan 0.000 0.503 87 L N 0.985 122.224 121.223 0.028 0.000 2.607 87 L HA 0.184 4.524 4.340 -0.000 0.000 0.228 87 L C 0.017 176.902 176.870 0.024 0.000 1.123 87 L CA 0.364 55.220 54.840 0.027 0.000 0.890 87 L CB -0.319 41.769 42.059 0.049 0.000 1.103 87 L HN 0.896 nan 8.230 nan 0.000 0.468 88 K N -2.934 117.479 120.400 0.022 0.000 2.675 88 K HA 0.227 4.547 4.320 -0.000 0.000 0.280 88 K C -1.435 175.176 176.600 0.018 0.000 0.993 88 K CA -0.803 55.496 56.287 0.019 0.000 0.863 88 K CB -0.016 32.497 32.500 0.022 0.000 1.438 88 K HN -0.316 nan 8.250 nan 0.000 0.389 89 D N 1.232 121.641 120.400 0.015 0.000 2.662 89 D HA 0.039 4.679 4.640 -0.000 0.000 0.233 89 D C -0.299 176.012 176.300 0.019 0.000 1.129 89 D CA 0.835 54.844 54.000 0.015 0.000 0.851 89 D CB 0.106 40.914 40.800 0.013 0.000 1.152 89 D HN 0.465 nan 8.370 nan 0.000 0.507 90 I N 2.091 122.673 120.570 0.020 0.000 2.378 90 I HA 0.120 4.290 4.170 -0.000 0.000 0.291 90 I C 0.335 176.467 176.117 0.025 0.000 0.992 90 I CA -0.610 60.705 61.300 0.025 0.000 1.154 90 I CB 1.455 39.472 38.000 0.028 0.000 1.315 90 I HN 0.149 nan 8.210 nan 0.000 0.448 91 S N 5.489 121.204 115.700 0.025 0.000 2.617 91 S HA 0.333 4.803 4.470 -0.000 0.000 0.269 91 S C 0.207 174.825 174.600 0.030 0.000 1.292 91 S CA -0.659 57.556 58.200 0.024 0.000 1.010 91 S CB 0.984 64.197 63.200 0.020 0.000 0.944 91 S HN 0.572 nan 8.310 nan 0.000 0.536 92 R N 1.285 121.802 120.500 0.029 0.000 2.758 92 R HA -0.054 4.286 4.340 -0.000 0.000 0.263 92 R C 0.322 176.644 176.300 0.038 0.000 1.010 92 R CA 0.520 56.641 56.100 0.035 0.000 1.114 92 R CB -0.121 30.197 30.300 0.030 0.000 0.985 92 R HN 0.786 nan 8.270 nan 0.000 0.439 93 N N 0.687 119.416 118.700 0.049 0.000 2.900 93 N HA -0.222 4.518 4.740 -0.000 0.000 0.240 93 N C -1.022 174.524 175.510 0.061 0.000 0.953 93 N CA 1.772 54.855 53.050 0.054 0.000 0.950 93 N CB -0.743 37.764 38.487 0.034 0.000 1.102 93 N HN 0.661 nan 8.380 nan 0.000 0.593 94 D N -0.151 120.282 120.400 0.054 0.000 2.368 94 D HA 0.208 4.848 4.640 -0.000 0.000 0.240 94 D C 0.274 176.614 176.300 0.068 0.000 1.169 94 D CA 0.043 54.075 54.000 0.054 0.000 0.906 94 D CB 0.919 41.745 40.800 0.044 0.000 1.187 94 D HN -0.146 nan 8.370 nan 0.000 0.435 95 V N 3.106 123.060 119.914 0.068 0.000 2.385 95 V HA 0.115 4.235 4.120 -0.000 0.000 0.269 95 V C 1.223 177.342 176.094 0.042 0.000 1.043 95 V CA -0.114 62.222 62.300 0.059 0.000 0.906 95 V CB 0.915 32.779 31.823 0.068 0.000 0.995 95 V HN 0.502 nan 8.190 nan 0.000 0.467 96 I N 5.454 126.049 120.570 0.042 0.000 2.333 96 I HA 0.036 4.206 4.170 -0.000 0.000 0.246 96 I C 0.299 176.443 176.117 0.045 0.000 1.106 96 I CA 1.205 62.537 61.300 0.053 0.000 1.411 96 I CB 0.076 38.118 38.000 0.071 0.000 1.082 96 I HN 0.570 nan 8.210 nan 0.000 0.420 97 L N -2.184 119.054 121.223 0.025 0.000 2.710 97 L HA 0.566 4.906 4.340 -0.000 0.000 0.260 97 L C -1.541 175.323 176.870 -0.009 0.000 0.993 97 L CA -0.778 54.069 54.840 0.012 0.000 0.877 97 L CB 1.596 43.677 42.059 0.037 0.000 1.461 97 L HN -0.096 nan 8.230 nan 0.000 0.413 98 Q N 0.823 120.620 119.800 -0.005 0.000 2.305 98 Q HA 0.823 5.163 4.340 -0.000 0.000 0.271 98 Q C -1.538 174.511 176.000 0.081 0.000 1.046 98 Q CA -0.946 54.867 55.803 0.016 0.000 0.798 98 Q CB 3.372 32.098 28.738 -0.020 0.000 1.286 98 Q HN 0.561 nan 8.270 nan 0.000 0.435 99 V N 2.858 122.907 119.914 0.225 0.000 2.628 99 V HA 0.546 4.666 4.120 -0.000 0.000 0.306 99 V C -2.240 174.131 176.094 0.461 0.000 1.045 99 V CA -2.037 60.447 62.300 0.306 0.000 0.905 99 V CB 1.841 33.886 31.823 0.369 0.000 0.997 99 V HN 0.660 nan 8.190 nan 0.000 0.436 100 P HA 0.195 nan 4.420 nan 0.000 0.279 100 P C 0.173 177.021 177.300 -0.753 0.000 1.239 100 P CA -0.449 62.594 63.100 -0.095 0.000 0.789 100 P CB 1.442 33.101 31.700 -0.067 0.000 0.933 101 K N 3.071 122.731 120.400 -1.233 0.000 2.211 101 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 101 K C 2.052 178.057 176.600 -0.991 0.000 1.047 101 K CA 0.992 55.963 56.287 -2.194 0.000 0.935 101 K CB -0.147 31.701 32.500 -1.087 0.000 0.728 101 K HN 0.277 nan 8.250 nan 0.000 0.452 102 R N 0.828 121.079 120.500 -0.415 0.000 2.226 102 R HA -0.145 4.195 4.340 -0.000 0.000 0.246 102 R C 1.033 177.378 176.300 0.074 0.000 1.161 102 R CA 1.345 57.388 56.100 -0.095 0.000 0.997 102 R CB -0.115 30.167 30.300 -0.030 0.000 0.870 102 R HN 0.299 nan 8.270 nan 0.000 0.465 103 L N -0.447 120.848 121.223 0.120 0.000 2.857 103 L HA 0.264 4.604 4.340 -0.000 0.000 0.249 103 L C 0.496 177.933 176.870 0.944 0.000 1.172 103 L CA -0.625 54.595 54.840 0.634 0.000 0.980 103 L CB 0.029 42.370 42.059 0.471 0.000 1.299 103 L HN 0.153 nan 8.230 nan 0.000 0.535 104 W N 0.426 121.898 121.300 0.287 0.000 1.779 104 W HA 0.443 5.103 4.660 -0.000 0.000 0.409 104 W C 0.060 176.474 176.519 -0.174 0.000 1.812 104 W CA -0.740 56.626 57.345 0.035 0.000 1.994 104 W CB 0.808 30.288 29.460 0.033 0.000 1.415 104 W HN -0.227 nan 8.180 nan 0.000 0.745 105 I N 2.540 123.164 120.570 0.090 0.000 2.630 105 I HA 0.031 4.201 4.170 -0.000 0.000 0.279 105 I C -0.910 175.194 176.117 -0.022 0.000 1.235 105 I CA -0.558 60.671 61.300 -0.119 0.000 1.096 105 I CB 0.650 38.476 38.000 -0.289 0.000 1.318 105 I HN 0.426 nan 8.210 nan 0.000 0.457 106 N N 5.006 123.701 118.700 -0.008 0.000 2.853 106 N HA 0.535 5.275 4.740 -0.000 0.000 0.258 106 N C -2.834 172.656 175.510 -0.034 0.000 1.444 106 N CA -1.739 51.325 53.050 0.025 0.000 0.837 106 N CB 1.469 40.032 38.487 0.126 0.000 1.489 106 N HN -0.091 nan 8.380 nan 0.000 0.529 107 P HA -0.144 nan 4.420 nan 0.000 0.216 107 P C 0.468 177.746 177.300 -0.037 0.000 1.154 107 P CA 1.664 64.757 63.100 -0.013 0.000 0.865 107 P CB 0.142 31.862 31.700 0.033 0.000 0.789 108 D N -0.957 119.448 120.400 0.007 0.000 2.149 108 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 108 D C 1.971 178.246 176.300 -0.041 0.000 0.990 108 D CA 1.599 55.606 54.000 0.011 0.000 0.839 108 D CB -0.748 40.090 40.800 0.064 0.000 0.948 108 D HN 0.101 nan 8.370 nan 0.000 0.460 109 A N 0.896 123.661 122.820 -0.092 0.000 1.933 109 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 109 A C 2.504 179.857 177.584 -0.384 0.000 1.175 109 A CA 2.041 53.970 52.037 -0.180 0.000 0.628 109 A CB -0.758 18.116 19.000 -0.211 0.000 0.814 109 A HN 0.256 nan 8.150 nan 0.000 0.444 110 V N -2.601 116.998 119.914 -0.524 0.000 2.453 110 V HA 0.034 4.154 4.120 -0.000 0.000 0.247 110 V C 2.502 178.541 176.094 -0.092 0.000 1.048 110 V CA 1.602 63.639 62.300 -0.439 0.000 1.049 110 V CB -1.444 30.209 31.823 -0.283 0.000 0.672 110 V HN 0.509 nan 8.190 nan 0.000 0.457 111 A N 1.137 123.918 122.820 -0.065 0.000 1.917 111 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 111 A C 2.192 179.787 177.584 0.019 0.000 1.182 111 A CA 2.279 54.315 52.037 -0.002 0.000 0.633 111 A CB -1.027 17.975 19.000 0.004 0.000 0.819 111 A HN 1.252 nan 8.150 nan 0.000 0.448 112 A N -0.163 122.665 122.820 0.014 0.000 2.476 112 A HA 0.503 4.823 4.320 -0.000 0.000 0.263 112 A C 0.856 178.482 177.584 0.069 0.000 1.342 112 A CA 0.574 52.632 52.037 0.036 0.000 0.926 112 A CB -0.799 18.219 19.000 0.030 0.000 1.019 112 A HN 0.809 nan 8.150 nan 0.000 0.515 113 S N -1.913 113.846 115.700 0.097 0.000 2.677 113 S HA 0.435 4.905 4.470 -0.000 0.000 0.304 113 S C 0.486 175.157 174.600 0.119 0.000 1.108 113 S CA -0.384 57.913 58.200 0.160 0.000 0.944 113 S CB 0.960 64.362 63.200 0.337 0.000 1.127 113 S HN 0.311 nan 8.310 nan 0.000 0.511 114 E N 0.376 120.635 120.200 0.100 0.000 2.187 114 E HA -0.180 4.170 4.350 -0.000 0.000 0.199 114 E C 1.414 178.057 176.600 0.072 0.000 1.004 114 E CA 1.804 58.239 56.400 0.058 0.000 0.813 114 E CB -0.643 29.067 29.700 0.017 0.000 0.736 114 E HN 0.768 nan 8.360 nan 0.000 0.468 115 I N -3.011 117.623 120.570 0.106 0.000 3.861 115 I HA 0.281 4.451 4.170 -0.000 0.000 0.329 115 I C 1.743 177.954 176.117 0.156 0.000 1.321 115 I CA 0.084 61.476 61.300 0.152 0.000 1.126 115 I CB 0.170 38.291 38.000 0.202 0.000 1.018 115 I HN -0.104 nan 8.210 nan 0.000 0.407 116 G N 2.768 111.639 108.800 0.118 0.000 2.448 116 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 116 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 116 G C 1.854 176.796 174.900 0.070 0.000 1.127 116 G CA 0.806 45.956 45.100 0.084 0.000 0.766 116 G HN 0.504 nan 8.290 nan 0.000 0.552 117 R N 0.878 121.421 120.500 0.072 0.000 2.057 117 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 117 R C 2.533 178.871 176.300 0.063 0.000 1.136 117 R CA 1.592 57.727 56.100 0.058 0.000 0.968 117 R CB -1.717 28.614 30.300 0.052 0.000 0.863 117 R HN 0.521 nan 8.270 nan 0.000 0.433 118 V N -0.597 119.371 119.914 0.089 0.000 2.828 118 V HA -0.128 3.992 4.120 -0.000 0.000 0.260 118 V C 1.821 177.956 176.094 0.068 0.000 1.101 118 V CA 1.209 63.562 62.300 0.088 0.000 1.123 118 V CB -1.009 30.901 31.823 0.144 0.000 0.704 118 V HN 0.325 nan 8.190 nan 0.000 0.493 119 C N 1.160 120.507 119.300 0.078 0.000 3.038 119 C HA 0.230 4.690 4.460 -0.000 0.000 0.279 119 C C 2.893 177.898 174.990 0.025 0.000 1.276 119 C CA 0.284 59.332 59.018 0.051 0.000 1.697 119 C CB -1.006 26.784 27.740 0.083 0.000 2.032 119 C HN 0.793 nan 8.230 nan 0.000 0.636 120 S N 1.792 117.509 115.700 0.029 0.000 2.441 120 S HA -0.230 4.240 4.470 -0.000 0.000 0.242 120 S C 1.016 175.620 174.600 0.008 0.000 1.018 120 S CA 1.751 59.963 58.200 0.020 0.000 0.988 120 S CB -0.409 62.804 63.200 0.023 0.000 0.778 120 S HN 0.802 nan 8.310 nan 0.000 0.498 121 E N -0.103 120.096 120.200 -0.003 0.000 2.562 121 E HA 0.398 4.748 4.350 -0.000 0.000 0.214 121 E C -0.219 176.360 176.600 -0.034 0.000 0.979 121 E CA -0.312 56.081 56.400 -0.013 0.000 1.002 121 E CB 0.440 30.133 29.700 -0.012 0.000 1.048 121 E HN 0.450 nan 8.360 nan 0.000 0.488 122 L N 1.649 122.844 121.223 -0.046 0.000 2.418 122 L HA 0.227 4.567 4.340 -0.000 0.000 0.265 122 L C 0.515 177.322 176.870 -0.106 0.000 1.143 122 L CA -0.382 54.401 54.840 -0.095 0.000 0.809 122 L CB 0.730 42.725 42.059 -0.106 0.000 1.124 122 L HN -0.081 nan 8.230 nan 0.000 0.456 123 K N 3.017 123.307 120.400 -0.183 0.000 2.414 123 K HA 0.025 4.345 4.320 -0.000 0.000 0.272 123 K C -1.368 175.144 176.600 -0.148 0.000 0.993 123 K CA -1.105 55.084 56.287 -0.164 0.000 0.964 123 K CB 0.603 32.936 32.500 -0.278 0.000 0.925 123 K HN 0.368 nan 8.250 nan 0.000 0.487 124 P HA -0.229 nan 4.420 nan 0.000 0.216 124 P C 1.129 178.491 177.300 0.104 0.000 1.157 124 P CA 1.825 64.961 63.100 0.060 0.000 0.880 124 P CB -0.237 31.533 31.700 0.116 0.000 0.791 125 W N 0.363 121.689 121.300 0.044 0.000 2.465 125 W HA 0.009 4.669 4.660 -0.000 0.000 0.268 125 W C 1.645 178.212 176.519 0.080 0.000 1.242 125 W CA 0.157 57.537 57.345 0.058 0.000 1.248 125 W CB -1.643 27.857 29.460 0.066 0.000 1.118 125 W HN -0.118 nan 8.180 nan 0.000 0.587 126 L N 1.346 122.281 121.223 -0.481 0.000 2.240 126 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 126 L C 2.785 179.596 176.870 -0.097 0.000 1.106 126 L CA 1.150 55.711 54.840 -0.466 0.000 0.793 126 L CB -0.649 40.961 42.059 -0.749 0.000 0.927 126 L HN -0.144 nan 8.230 nan 0.000 0.446 127 S N -0.298 115.373 115.700 -0.047 0.000 2.355 127 S HA -0.142 4.328 4.470 -0.000 0.000 0.222 127 S C 2.044 176.745 174.600 0.168 0.000 1.031 127 S CA 1.219 59.456 58.200 0.063 0.000 0.993 127 S CB -0.192 63.028 63.200 0.034 0.000 0.859 127 S HN 0.151 nan 8.310 nan 0.000 0.453 128 V N 2.308 122.317 119.914 0.159 0.000 2.343 128 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 128 V C 2.080 178.353 176.094 0.297 0.000 1.051 128 V CA 1.459 63.892 62.300 0.221 0.000 1.036 128 V CB -0.756 31.167 31.823 0.167 0.000 0.654 128 V HN 0.434 nan 8.190 nan 0.000 0.451 129 I N -0.355 120.379 120.570 0.274 0.000 2.163 129 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 129 I C 2.352 178.668 176.117 0.332 0.000 1.085 129 I CA 1.793 63.281 61.300 0.313 0.000 1.347 129 I CB -0.311 37.898 38.000 0.348 0.000 1.044 129 I HN 0.275 nan 8.210 nan 0.000 0.408 130 L N -0.699 120.720 121.223 0.327 0.000 2.056 130 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 130 L C 2.568 179.660 176.870 0.371 0.000 1.078 130 L CA 1.220 56.284 54.840 0.374 0.000 0.749 130 L CB -0.658 41.636 42.059 0.392 0.000 0.901 130 L HN 0.176 nan 8.230 nan 0.000 0.433 131 F N 0.870 120.946 119.950 0.211 0.000 2.095 131 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 131 F C 2.245 178.156 175.800 0.184 0.000 1.104 131 F CA 1.586 59.688 58.000 0.170 0.000 1.232 131 F CB -0.242 38.840 39.000 0.137 0.000 0.987 131 F HN -0.135 nan 8.300 nan 0.000 0.475 132 L N -0.199 121.195 121.223 0.284 0.000 2.046 132 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 132 L C 2.447 179.405 176.870 0.145 0.000 1.077 132 L CA 1.388 56.389 54.840 0.268 0.000 0.747 132 L CB -0.633 41.629 42.059 0.338 0.000 0.896 132 L HN 0.191 nan 8.230 nan 0.000 0.432 133 I N -0.825 119.843 120.570 0.163 0.000 2.315 133 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 133 I C 2.786 178.842 176.117 -0.102 0.000 1.117 133 I CA 0.983 62.301 61.300 0.031 0.000 1.404 133 I CB -0.313 37.710 38.000 0.039 0.000 1.071 133 I HN 0.242 nan 8.210 nan 0.000 0.419 134 R N 1.120 121.575 120.500 -0.075 0.000 2.061 134 R HA -0.161 4.179 4.340 -0.000 0.000 0.230 134 R C 2.276 178.443 176.300 -0.222 0.000 1.140 134 R CA 1.431 57.426 56.100 -0.175 0.000 0.940 134 R CB -0.023 30.129 30.300 -0.248 0.000 0.839 134 R HN 0.184 nan 8.270 nan 0.000 0.429 135 E N 0.440 120.487 120.200 -0.255 0.000 2.153 135 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 135 E C 1.920 178.455 176.600 -0.108 0.000 0.988 135 E CA 0.861 57.212 56.400 -0.081 0.000 0.811 135 E CB -0.269 29.501 29.700 0.117 0.000 0.746 135 E HN 0.352 nan 8.360 nan 0.000 0.466 136 R N 0.656 120.823 120.500 -0.556 0.000 2.159 136 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 136 R C 1.997 178.041 176.300 -0.427 0.000 1.131 136 R CA 1.460 57.001 56.100 -0.931 0.000 0.982 136 R CB 0.142 29.817 30.300 -1.041 0.000 0.868 136 R HN 0.014 nan 8.270 nan 0.000 0.453 137 S N 0.072 115.598 115.700 -0.290 0.000 2.387 137 S HA 0.075 4.545 4.470 -0.000 0.000 0.221 137 S C 0.481 175.002 174.600 -0.132 0.000 1.041 137 S CA 0.136 58.216 58.200 -0.199 0.000 0.959 137 S CB -0.014 63.082 63.200 -0.173 0.000 0.843 137 S HN 0.293 nan 8.310 nan 0.000 0.488 138 R N 2.598 123.032 120.500 -0.111 0.000 2.513 138 R HA 0.013 4.353 4.340 -0.000 0.000 0.333 138 R C -0.314 175.955 176.300 -0.053 0.000 0.925 138 R CA 0.296 56.351 56.100 -0.075 0.000 1.072 138 R CB -0.078 30.184 30.300 -0.064 0.000 0.914 138 R HN 0.457 nan 8.270 nan 0.000 0.408 139 E N 2.991 123.157 120.200 -0.056 0.000 2.424 139 E HA -0.054 4.296 4.350 -0.000 0.000 0.237 139 E C -0.184 176.382 176.600 -0.057 0.000 1.381 139 E CA 0.162 56.530 56.400 -0.052 0.000 1.587 139 E CB 0.018 29.690 29.700 -0.046 0.000 1.398 139 E HN 0.566 nan 8.360 nan 0.000 0.439 140 D N -1.415 118.948 120.400 -0.061 0.000 2.936 140 D HA -0.048 4.592 4.640 -0.000 0.000 0.297 140 D C -0.125 176.125 176.300 -0.083 0.000 1.677 140 D CA -0.206 53.751 54.000 -0.072 0.000 0.821 140 D CB -0.455 40.315 40.800 -0.051 0.000 1.358 140 D HN -0.021 nan 8.370 nan 0.000 0.448 141 S N -0.132 115.524 115.700 -0.074 0.000 2.632 141 S HA 0.341 4.811 4.470 -0.000 0.000 0.271 141 S C 1.599 176.038 174.600 -0.268 0.000 1.260 141 S CA -0.323 57.842 58.200 -0.058 0.000 1.010 141 S CB 1.608 64.905 63.200 0.161 0.000 0.965 141 S HN 0.018 nan 8.310 nan 0.000 0.534 142 V N 2.230 121.841 119.914 -0.504 0.000 2.407 142 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 142 V C 0.943 176.410 176.094 -1.045 0.000 1.055 142 V CA 1.452 63.259 62.300 -0.822 0.000 1.049 142 V CB -0.817 30.302 31.823 -1.174 0.000 0.662 142 V HN 0.934 nan 8.190 nan 0.000 0.455 143 W N 0.190 121.347 121.300 -0.239 0.000 3.121 143 W HA 0.419 5.079 4.660 -0.000 0.000 0.441 143 W C 1.642 177.900 176.519 -0.435 0.000 0.878 143 W CA -0.813 56.260 57.345 -0.453 0.000 2.101 143 W CB -0.657 28.485 29.460 -0.529 0.000 1.067 143 W HN 0.065 nan 8.180 nan 0.000 0.834 144 K N 0.510 120.676 120.400 -0.389 0.000 1.985 144 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 144 K C 1.783 178.226 176.600 -0.262 0.000 1.047 144 K CA 1.798 57.915 56.287 -0.284 0.000 0.932 144 K CB -0.167 31.991 32.500 -0.569 0.000 0.716 144 K HN 0.213 nan 8.250 nan 0.000 0.439 145 H N -1.259 117.689 119.070 -0.203 0.000 2.491 145 H HA -0.119 4.437 4.556 -0.000 0.000 0.290 145 H C 1.839 177.226 175.328 0.099 0.000 1.050 145 H CA 1.202 57.244 56.048 -0.010 0.000 1.309 145 H CB -0.350 29.433 29.762 0.036 0.000 1.392 145 H HN 0.370 nan 8.280 nan 0.000 0.554 146 Y N 1.008 121.269 120.300 -0.064 0.000 2.163 146 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 146 Y C 2.082 177.910 175.900 -0.120 0.000 1.136 146 Y CA 0.986 59.032 58.100 -0.089 0.000 1.147 146 Y CB -0.902 37.554 38.460 -0.006 0.000 0.987 146 Y HN -0.028 nan 8.280 nan 0.000 0.509 147 F N 0.065 119.961 119.950 -0.089 0.000 2.171 147 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 147 F C 2.490 178.218 175.800 -0.120 0.000 1.090 147 F CA 0.798 58.718 58.000 -0.134 0.000 1.293 147 F CB -0.663 38.345 39.000 0.014 0.000 1.013 147 F HN 0.170 nan 8.300 nan 0.000 0.486 148 G N -0.414 108.444 108.800 0.097 0.000 2.882 148 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.206 148 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.206 148 G C 1.188 176.082 174.900 -0.009 0.000 1.155 148 G CA 0.338 45.471 45.100 0.055 0.000 0.800 148 G HN 0.250 nan 8.290 nan 0.000 0.524 149 I N -0.182 120.320 120.570 -0.114 0.000 4.323 149 I HA 0.287 4.456 4.170 -0.000 0.000 0.328 149 I C 0.975 177.017 176.117 -0.124 0.000 1.310 149 I CA -0.248 60.950 61.300 -0.170 0.000 1.186 149 I CB -0.293 37.451 38.000 -0.428 0.000 1.130 149 I HN 0.010 nan 8.210 nan 0.000 0.411 150 L N 3.550 124.707 121.223 -0.110 0.000 2.455 150 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 150 L C -1.870 175.068 176.870 0.114 0.000 1.174 150 L CA -1.216 53.623 54.840 -0.002 0.000 0.869 150 L CB -0.079 42.060 42.059 0.134 0.000 1.130 150 L HN -0.104 nan 8.230 nan 0.000 0.474 151 P HA 0.083 nan 4.420 nan 0.000 0.272 151 P C -0.118 177.313 177.300 0.218 0.000 1.230 151 P CA -0.392 62.772 63.100 0.105 0.000 0.788 151 P CB 0.602 32.342 31.700 0.067 0.000 0.949 152 Q N -0.062 119.829 119.800 0.152 0.000 2.425 152 Q HA 0.057 4.397 4.340 -0.000 0.000 0.204 152 Q C 0.196 176.262 176.000 0.110 0.000 0.933 152 Q CA 0.728 56.655 55.803 0.207 0.000 0.939 152 Q CB 0.504 29.263 28.738 0.035 0.000 1.044 152 Q HN 0.516 nan 8.270 nan 0.000 0.513 153 E N -0.399 119.752 120.200 -0.083 0.000 2.380 153 E HA 0.161 4.511 4.350 -0.000 0.000 0.281 153 E C -1.347 175.103 176.600 -0.251 0.000 0.999 153 E CA -0.311 55.805 56.400 -0.473 0.000 0.800 153 E CB 1.655 31.116 29.700 -0.398 0.000 1.228 153 E HN 0.078 nan 8.360 nan 0.000 0.436 154 T N -0.570 113.850 114.554 -0.224 0.000 2.940 154 T HA 0.348 4.698 4.350 -0.000 0.000 0.288 154 T C 0.229 175.106 174.700 0.294 0.000 1.045 154 T CA -0.704 61.480 62.100 0.141 0.000 1.018 154 T CB 1.270 70.289 68.868 0.252 0.000 1.151 154 T HN 0.286 nan 8.240 nan 0.000 0.529 155 D N 1.120 121.703 120.400 0.305 0.000 2.338 155 D HA 0.110 4.750 4.640 -0.000 0.000 0.239 155 D C 0.813 177.398 176.300 0.476 0.000 1.095 155 D CA 0.282 54.525 54.000 0.404 0.000 0.888 155 D CB -0.190 40.815 40.800 0.341 0.000 0.899 155 D HN 0.574 nan 8.370 nan 0.000 0.525 156 S N -0.374 115.539 115.700 0.355 0.000 2.572 156 S HA 0.004 4.474 4.470 -0.000 0.000 0.279 156 S C 1.855 176.399 174.600 -0.093 0.000 1.341 156 S CA 0.081 58.333 58.200 0.087 0.000 1.043 156 S CB 1.089 64.298 63.200 0.015 0.000 0.887 156 S HN 0.305 nan 8.310 nan 0.000 0.516 157 T N 2.896 117.116 114.554 -0.557 0.000 2.897 157 T HA -0.178 4.172 4.350 -0.000 0.000 0.271 157 T C 1.741 176.203 174.700 -0.396 0.000 1.084 157 T CA 1.494 62.990 62.100 -1.006 0.000 1.123 157 T CB -1.004 67.265 68.868 -0.999 0.000 0.865 157 T HN 0.848 nan 8.240 nan 0.000 0.496 158 I N -2.627 117.767 120.570 -0.292 0.000 3.241 158 I HA 0.050 4.220 4.170 -0.000 0.000 0.280 158 I C 1.229 177.192 176.117 -0.256 0.000 1.320 158 I CA 0.862 62.016 61.300 -0.244 0.000 1.413 158 I CB -0.674 37.197 38.000 -0.216 0.000 1.060 158 I HN 0.176 nan 8.210 nan 0.000 0.500 159 Y N -1.275 119.124 120.300 0.164 0.000 2.453 159 Y HA 0.273 4.823 4.550 -0.000 0.000 0.247 159 Y C 0.609 176.688 175.900 0.299 0.000 1.124 159 Y CA -1.133 57.095 58.100 0.213 0.000 1.243 159 Y CB 0.073 38.673 38.460 0.234 0.000 1.213 159 Y HN 0.071 nan 8.280 nan 0.000 0.523 160 W N 2.931 124.320 121.300 0.149 0.000 2.231 160 W HA 0.143 4.803 4.660 -0.000 0.000 0.341 160 W C 1.102 177.654 176.519 0.055 0.000 1.298 160 W CA -0.521 56.880 57.345 0.093 0.000 1.266 160 W CB 0.272 29.769 29.460 0.063 0.000 1.172 160 W HN -0.015 nan 8.180 nan 0.000 0.568 161 S N 1.012 116.833 115.700 0.201 0.000 2.641 161 S HA 0.070 4.540 4.470 -0.000 0.000 0.261 161 S C 1.037 175.704 174.600 0.111 0.000 1.257 161 S CA -0.145 58.120 58.200 0.108 0.000 0.983 161 S CB 0.979 64.203 63.200 0.039 0.000 0.990 161 S HN 0.486 nan 8.310 nan 0.000 0.572 162 E N 0.561 120.799 120.200 0.063 0.000 2.106 162 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 162 E C 1.713 178.339 176.600 0.044 0.000 0.984 162 E CA 1.527 57.959 56.400 0.053 0.000 0.806 162 E CB -0.439 29.276 29.700 0.025 0.000 0.750 162 E HN 0.757 nan 8.360 nan 0.000 0.458 163 E N 0.373 120.585 120.200 0.020 0.000 2.072 163 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 163 E C 2.009 178.610 176.600 0.001 0.000 0.985 163 E CA 1.352 57.752 56.400 -0.001 0.000 0.801 163 E CB -0.167 29.521 29.700 -0.020 0.000 0.750 163 E HN 0.351 nan 8.360 nan 0.000 0.452 164 E N 0.439 120.631 120.200 -0.014 0.000 2.077 164 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 164 E C 1.998 178.693 176.600 0.158 0.000 0.989 164 E CA 0.804 57.153 56.400 -0.085 0.000 0.800 164 E CB -0.124 29.396 29.700 -0.299 0.000 0.746 164 E HN 0.196 nan 8.360 nan 0.000 0.452 165 L N 0.580 121.984 121.223 0.300 0.000 2.131 165 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 165 L C 2.490 179.491 176.870 0.219 0.000 1.092 165 L CA 1.020 56.074 54.840 0.358 0.000 0.759 165 L CB -0.245 41.946 42.059 0.221 0.000 0.903 165 L HN 0.174 nan 8.230 nan 0.000 0.435 166 Q N -0.319 119.555 119.800 0.123 0.000 2.364 166 Q HA -0.242 4.098 4.340 -0.000 0.000 0.209 166 Q C 1.779 177.831 176.000 0.087 0.000 0.977 166 Q CA 1.015 56.848 55.803 0.050 0.000 0.885 166 Q CB 0.142 28.869 28.738 -0.019 0.000 0.941 166 Q HN 0.257 nan 8.270 nan 0.000 0.464 167 E N -0.332 119.974 120.200 0.177 0.000 2.427 167 E HA -0.013 4.336 4.350 -0.000 0.000 0.196 167 E C 0.280 177.092 176.600 0.354 0.000 1.028 167 E CA 0.468 57.031 56.400 0.272 0.000 0.864 167 E CB 0.310 30.117 29.700 0.178 0.000 0.813 167 E HN 0.283 nan 8.360 nan 0.000 0.514 168 L N 1.075 122.485 121.223 0.313 0.000 3.062 168 L HA 0.237 4.577 4.340 -0.000 0.000 0.255 168 L C 0.283 177.269 176.870 0.193 0.000 1.274 168 L CA -0.294 54.706 54.840 0.266 0.000 1.047 168 L CB 0.245 42.438 42.059 0.225 0.000 1.402 168 L HN 0.058 nan 8.230 nan 0.000 0.550 169 Q N 0.898 120.830 119.800 0.219 0.000 2.262 169 Q HA 0.217 4.557 4.340 -0.000 0.000 0.272 169 Q C 1.059 177.075 176.000 0.026 0.000 1.076 169 Q CA 1.100 56.973 55.803 0.117 0.000 0.905 169 Q CB 0.623 29.413 28.738 0.087 0.000 1.182 169 Q HN 0.480 nan 8.270 nan 0.000 0.390 170 G N 2.815 111.539 108.800 -0.127 0.000 2.213 170 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.236 170 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.236 170 G C 0.126 174.684 174.900 -0.570 0.000 0.991 170 G CA 0.218 45.076 45.100 -0.404 0.000 0.629 170 G HN 1.012 nan 8.290 nan 0.000 0.517 171 S N -0.235 115.329 115.700 -0.227 0.000 2.600 171 S HA 0.484 4.954 4.470 -0.000 0.000 0.265 171 S C 1.191 175.804 174.600 0.022 0.000 1.325 171 S CA 0.832 59.069 58.200 0.062 0.000 1.002 171 S CB 1.787 65.103 63.200 0.193 0.000 0.921 171 S HN 0.568 nan 8.310 nan 0.000 0.554 172 Q N -0.054 119.783 119.800 0.062 0.000 2.137 172 Q HA -0.034 4.306 4.340 -0.000 0.000 0.198 172 Q C 1.924 177.856 176.000 -0.114 0.000 0.960 172 Q CA 0.926 56.670 55.803 -0.099 0.000 0.847 172 Q CB -0.306 28.204 28.738 -0.380 0.000 0.915 172 Q HN 0.799 nan 8.270 nan 0.000 0.448 173 L N 0.739 121.910 121.223 -0.088 0.000 2.043 173 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 173 L C 2.045 178.842 176.870 -0.122 0.000 1.075 173 L CA 1.560 56.328 54.840 -0.121 0.000 0.752 173 L CB -0.789 41.203 42.059 -0.112 0.000 0.891 173 L HN 0.395 nan 8.230 nan 0.000 0.432 174 L N -0.289 120.889 121.223 -0.075 0.000 2.017 174 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 174 L C 2.467 179.296 176.870 -0.069 0.000 1.073 174 L CA 1.862 56.663 54.840 -0.064 0.000 0.745 174 L CB -0.823 41.227 42.059 -0.015 0.000 0.894 174 L HN 0.309 nan 8.230 nan 0.000 0.432 175 K N -1.327 119.033 120.400 -0.068 0.000 2.026 175 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 175 K C 1.892 178.443 176.600 -0.082 0.000 1.048 175 K CA 1.947 58.196 56.287 -0.065 0.000 0.929 175 K CB -0.542 31.922 32.500 -0.060 0.000 0.713 175 K HN 0.389 nan 8.250 nan 0.000 0.439 176 T N 0.945 115.432 114.554 -0.111 0.000 2.674 176 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 176 T C 2.182 176.808 174.700 -0.123 0.000 1.039 176 T CA 2.081 64.102 62.100 -0.131 0.000 1.150 176 T CB -0.583 68.187 68.868 -0.164 0.000 0.864 176 T HN 0.503 nan 8.240 nan 0.000 0.427 177 T N 0.987 115.459 114.554 -0.135 0.000 2.803 177 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 177 T C 2.029 176.676 174.700 -0.088 0.000 1.052 177 T CA 1.120 63.138 62.100 -0.137 0.000 1.136 177 T CB -0.916 67.832 68.868 -0.200 0.000 0.864 177 T HN 0.221 nan 8.240 nan 0.000 0.467 178 V N 1.254 121.125 119.914 -0.071 0.000 2.379 178 V HA -0.091 4.029 4.120 -0.000 0.000 0.245 178 V C 3.028 179.105 176.094 -0.029 0.000 1.044 178 V CA 1.692 63.967 62.300 -0.042 0.000 1.036 178 V CB -0.862 30.941 31.823 -0.034 0.000 0.664 178 V HN 0.599 nan 8.190 nan 0.000 0.453 179 S N -0.016 115.658 115.700 -0.043 0.000 2.356 179 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 179 S C 2.005 176.590 174.600 -0.024 0.000 1.032 179 S CA 1.927 60.107 58.200 -0.034 0.000 1.005 179 S CB -0.181 62.983 63.200 -0.061 0.000 0.867 179 S HN 0.325 nan 8.310 nan 0.000 0.449 180 V N 1.996 121.875 119.914 -0.059 0.000 2.343 180 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 180 V C 2.532 178.594 176.094 -0.054 0.000 1.051 180 V CA 1.851 64.108 62.300 -0.072 0.000 1.036 180 V CB -0.641 31.123 31.823 -0.099 0.000 0.654 180 V HN 0.452 nan 8.190 nan 0.000 0.451 181 K N -0.172 120.231 120.400 0.005 0.000 2.063 181 K HA -0.265 4.055 4.320 -0.000 0.000 0.208 181 K C 2.242 178.938 176.600 0.160 0.000 1.048 181 K CA 1.977 58.350 56.287 0.143 0.000 0.928 181 K CB -0.127 32.426 32.500 0.088 0.000 0.713 181 K HN 0.581 nan 8.250 nan 0.000 0.442 182 E N 0.021 120.264 120.200 0.072 0.000 2.028 182 E HA -0.218 4.131 4.350 -0.000 0.000 0.191 182 E C 1.960 178.579 176.600 0.031 0.000 0.988 182 E CA 0.943 57.377 56.400 0.057 0.000 0.799 182 E CB -0.200 29.523 29.700 0.038 0.000 0.755 182 E HN 0.265 nan 8.360 nan 0.000 0.447 183 Y N 0.898 121.156 120.300 -0.070 0.000 2.081 183 Y HA -0.287 4.263 4.550 -0.000 0.000 0.280 183 Y C 2.059 177.892 175.900 -0.112 0.000 1.163 183 Y CA 1.917 59.968 58.100 -0.081 0.000 1.135 183 Y CB -0.534 37.870 38.460 -0.093 0.000 0.970 183 Y HN -0.049 nan 8.280 nan 0.000 0.498 184 V N 1.097 120.859 119.914 -0.253 0.000 2.392 184 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 184 V C 2.456 178.295 176.094 -0.425 0.000 1.059 184 V CA 2.314 64.337 62.300 -0.461 0.000 1.051 184 V CB -0.823 30.426 31.823 -0.957 0.000 0.658 184 V HN 0.398 nan 8.190 nan 0.000 0.455 185 K N 0.364 120.656 120.400 -0.180 0.000 2.026 185 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 185 K C 2.072 178.559 176.600 -0.188 0.000 1.048 185 K CA 1.886 58.150 56.287 -0.039 0.000 0.929 185 K CB -0.185 32.390 32.500 0.125 0.000 0.713 185 K HN 0.475 nan 8.250 nan 0.000 0.439 186 N N 1.220 119.788 118.700 -0.219 0.000 2.039 186 N HA -0.157 4.582 4.740 -0.000 0.000 0.193 186 N C 1.661 176.971 175.510 -0.334 0.000 1.044 186 N CA 1.233 54.141 53.050 -0.236 0.000 0.847 186 N CB -0.468 37.895 38.487 -0.207 0.000 1.030 186 N HN 0.260 nan 8.380 nan 0.000 0.422 187 E N 0.655 120.562 120.200 -0.489 0.000 2.130 187 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 187 E C 2.111 178.423 176.600 -0.481 0.000 0.998 187 E CA 0.665 56.767 56.400 -0.496 0.000 0.806 187 E CB -0.465 28.868 29.700 -0.613 0.000 0.738 187 E HN 0.360 nan 8.360 nan 0.000 0.459 188 C N 0.299 119.248 119.300 -0.586 0.000 2.450 188 C HA 0.013 4.472 4.460 -0.000 0.000 0.279 188 C C 2.784 177.343 174.990 -0.718 0.000 1.335 188 C CA 0.024 58.488 59.018 -0.923 0.000 1.749 188 C CB -0.934 25.909 27.740 -1.494 0.000 1.963 188 C HN 0.366 nan 8.230 nan 0.000 0.501 189 L N 0.435 121.410 121.223 -0.414 0.000 2.141 189 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 189 L C 2.493 179.261 176.870 -0.169 0.000 1.094 189 L CA 1.418 56.136 54.840 -0.203 0.000 0.763 189 L CB -0.531 41.453 42.059 -0.125 0.000 0.908 189 L HN 0.389 nan 8.230 nan 0.000 0.437 190 K N 0.033 120.306 120.400 -0.211 0.000 2.217 190 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 190 K C 2.070 178.570 176.600 -0.167 0.000 1.051 190 K CA 0.852 57.038 56.287 -0.168 0.000 0.952 190 K CB -0.020 32.373 32.500 -0.179 0.000 0.736 190 K HN 0.267 nan 8.250 nan 0.000 0.453 191 L N 0.841 121.933 121.223 -0.218 0.000 2.093 191 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 191 L C 2.536 179.332 176.870 -0.124 0.000 1.085 191 L CA 1.268 56.000 54.840 -0.180 0.000 0.755 191 L CB -0.289 41.653 42.059 -0.194 0.000 0.904 191 L HN 0.286 nan 8.230 nan 0.000 0.435 192 E N -0.504 119.660 120.200 -0.060 0.000 2.150 192 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 192 E C 2.180 178.746 176.600 -0.056 0.000 0.985 192 E CA 0.783 57.174 56.400 -0.015 0.000 0.814 192 E CB 0.262 30.010 29.700 0.081 0.000 0.752 192 E HN 0.394 nan 8.360 nan 0.000 0.466 193 Q N -0.012 119.749 119.800 -0.064 0.000 2.269 193 Q HA -0.063 4.277 4.340 -0.000 0.000 0.201 193 Q C 1.025 176.987 176.000 -0.063 0.000 0.946 193 Q CA 1.037 56.807 55.803 -0.056 0.000 0.877 193 Q CB 0.395 29.101 28.738 -0.054 0.000 0.963 193 Q HN 0.413 nan 8.270 nan 0.000 0.472 194 E N -1.264 118.886 120.200 -0.083 0.000 2.526 194 E HA 0.148 4.498 4.350 -0.000 0.000 0.208 194 E C 0.539 177.084 176.600 -0.092 0.000 0.997 194 E CA 0.017 56.371 56.400 -0.077 0.000 0.961 194 E CB 0.772 30.428 29.700 -0.074 0.000 1.030 194 E HN 0.125 nan 8.360 nan 0.000 0.483 195 I N -0.885 119.597 120.570 -0.146 0.000 3.680 195 I HA 0.017 4.187 4.170 -0.000 0.000 0.261 195 I C 1.601 177.487 176.117 -0.386 0.000 1.121 195 I CA -0.031 61.138 61.300 -0.218 0.000 1.429 195 I CB 0.095 37.938 38.000 -0.262 0.000 1.719 195 I HN -0.061 nan 8.210 nan 0.000 0.413 196 I N 0.941 121.192 120.570 -0.531 0.000 2.163 196 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 196 I C 2.273 178.282 176.117 -0.179 0.000 1.085 196 I CA 1.820 62.762 61.300 -0.596 0.000 1.347 196 I CB -0.295 37.497 38.000 -0.347 0.000 1.044 196 I HN 0.196 nan 8.210 nan 0.000 0.408 197 L N -0.017 121.145 121.223 -0.101 0.000 2.049 197 L HA -0.048 4.292 4.340 -0.000 0.000 0.203 197 L C -0.048 176.818 176.870 -0.006 0.000 1.074 197 L CA 1.109 55.933 54.840 -0.028 0.000 0.749 197 L CB -1.956 40.089 42.059 -0.023 0.000 0.907 197 L HN 0.119 nan 8.230 nan 0.000 0.439 198 P HA -0.169 nan 4.420 nan 0.000 0.216 198 P C 0.168 177.490 177.300 0.036 0.000 1.157 198 P CA 1.347 64.448 63.100 0.002 0.000 0.880 198 P CB -0.019 31.674 31.700 -0.012 0.000 0.791 199 N N 0.102 118.841 118.700 0.065 0.000 3.209 199 N HA 0.029 4.769 4.740 -0.000 0.000 0.309 199 N C 0.877 176.506 175.510 0.199 0.000 1.384 199 N CA -0.027 53.110 53.050 0.145 0.000 1.173 199 N CB 0.158 38.786 38.487 0.234 0.000 1.460 199 N HN 0.411 nan 8.380 nan 0.000 0.534 200 K N -0.229 120.243 120.400 0.120 0.000 2.442 200 K HA -0.135 4.185 4.320 -0.000 0.000 0.199 200 K C 1.681 178.339 176.600 0.097 0.000 1.044 200 K CA 0.653 57.007 56.287 0.112 0.000 0.941 200 K CB 0.303 32.840 32.500 0.062 0.000 0.759 200 K HN 0.162 nan 8.250 nan 0.000 0.472 201 R N 0.720 121.272 120.500 0.088 0.000 2.075 201 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 201 R C 1.784 178.092 176.300 0.014 0.000 1.114 201 R CA 0.852 56.978 56.100 0.044 0.000 0.972 201 R CB -0.048 30.273 30.300 0.035 0.000 0.869 201 R HN 0.172 nan 8.270 nan 0.000 0.437 202 L N -0.701 120.538 121.223 0.027 0.000 2.209 202 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 202 L C 0.354 177.002 176.870 -0.371 0.000 1.094 202 L CA 1.096 55.833 54.840 -0.173 0.000 0.790 202 L CB 0.023 41.958 42.059 -0.207 0.000 0.932 202 L HN -0.017 nan 8.230 nan 0.000 0.447 203 F N -0.370 119.581 119.950 0.002 0.000 2.334 203 F HA 0.352 4.879 4.527 -0.000 0.000 0.343 203 F C -1.610 174.179 175.800 -0.019 0.000 1.136 203 F CA -2.139 55.854 58.000 -0.011 0.000 1.237 203 F CB 0.050 39.049 39.000 -0.000 0.000 1.525 203 F HN -0.130 nan 8.300 nan 0.000 0.528 204 P HA -0.105 nan 4.420 nan 0.000 0.205 204 P C -0.169 177.150 177.300 0.032 0.000 1.203 204 P CA 1.027 64.147 63.100 0.033 0.000 0.926 204 P CB 0.122 31.816 31.700 -0.011 0.000 0.767 205 D N 0.545 120.946 120.400 0.002 0.000 2.515 205 D HA -0.002 4.638 4.640 -0.000 0.000 0.232 205 D C -2.093 174.205 176.300 -0.003 0.000 1.157 205 D CA -0.289 53.702 54.000 -0.015 0.000 0.871 205 D CB -0.888 39.883 40.800 -0.049 0.000 1.200 205 D HN 0.119 nan 8.370 nan 0.000 0.466 206 P HA 0.099 nan 4.420 nan 0.000 0.276 206 P C -0.568 176.699 177.300 -0.054 0.000 1.230 206 P CA -0.363 62.725 63.100 -0.019 0.000 0.776 206 P CB 0.801 32.490 31.700 -0.018 0.000 0.888 207 V N 3.316 123.188 119.914 -0.071 0.000 2.318 207 V HA 0.236 4.356 4.120 -0.000 0.000 0.271 207 V C 0.926 176.924 176.094 -0.160 0.000 1.030 207 V CA -0.392 61.792 62.300 -0.193 0.000 0.844 207 V CB 0.460 32.095 31.823 -0.313 0.000 1.015 207 V HN 0.674 nan 8.190 nan 0.000 0.460 208 T N 2.496 116.975 114.554 -0.125 0.000 2.816 208 T HA 0.408 4.758 4.350 -0.000 0.000 0.282 208 T C 1.243 175.995 174.700 0.087 0.000 0.993 208 T CA -0.470 61.630 62.100 -0.001 0.000 0.994 208 T CB 0.959 69.829 68.868 0.005 0.000 1.025 208 T HN 0.305 nan 8.240 nan 0.000 0.529 209 L N 0.335 121.703 121.223 0.241 0.000 2.131 209 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 209 L C 2.351 179.503 176.870 0.469 0.000 1.092 209 L CA 1.579 56.691 54.840 0.454 0.000 0.759 209 L CB -0.644 41.603 42.059 0.314 0.000 0.903 209 L HN 0.749 nan 8.230 nan 0.000 0.435 210 D N -0.167 120.392 120.400 0.265 0.000 2.149 210 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 210 D C 1.761 178.255 176.300 0.323 0.000 0.990 210 D CA 1.160 55.325 54.000 0.276 0.000 0.839 210 D CB -0.079 40.803 40.800 0.138 0.000 0.948 210 D HN 0.302 nan 8.370 nan 0.000 0.460 211 D N -0.458 120.035 120.400 0.154 0.000 2.117 211 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 211 D C 1.963 178.431 176.300 0.279 0.000 0.982 211 D CA 0.615 54.671 54.000 0.093 0.000 0.828 211 D CB -0.369 40.322 40.800 -0.182 0.000 0.967 211 D HN 0.288 nan 8.370 nan 0.000 0.464 212 F N 0.327 120.461 119.950 0.305 0.000 2.046 212 F HA -0.184 4.342 4.527 -0.000 0.000 0.297 212 F C 2.316 178.264 175.800 0.247 0.000 1.123 212 F CA 0.751 58.889 58.000 0.231 0.000 1.199 212 F CB -0.446 38.633 39.000 0.131 0.000 0.972 212 F HN -0.129 nan 8.300 nan 0.000 0.474 213 F N -1.307 118.928 119.950 0.474 0.000 2.333 213 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 213 F C 2.022 178.140 175.800 0.531 0.000 1.083 213 F CA 1.085 59.339 58.000 0.424 0.000 1.395 213 F CB -0.962 38.220 39.000 0.304 0.000 1.056 213 F HN 0.119 nan 8.300 nan 0.000 0.529 214 W N 0.746 122.332 121.300 0.477 0.000 2.407 214 W HA -0.062 4.597 4.660 -0.000 0.000 0.305 214 W C 2.347 179.026 176.519 0.268 0.000 1.196 214 W CA 1.952 59.508 57.345 0.352 0.000 1.311 214 W CB -0.561 29.006 29.460 0.178 0.000 1.135 214 W HN -0.086 nan 8.180 nan 0.000 0.514 215 A N -0.066 122.955 122.820 0.336 0.000 1.898 215 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 215 A C 1.950 179.558 177.584 0.040 0.000 1.181 215 A CA 1.492 53.561 52.037 0.055 0.000 0.620 215 A CB -1.532 17.673 19.000 0.340 0.000 0.819 215 A HN 0.515 nan 8.150 nan 0.000 0.442 216 F N 1.263 121.235 119.950 0.037 0.000 2.216 216 F HA 0.000 4.527 4.527 -0.000 0.000 0.300 216 F C 2.131 177.869 175.800 -0.104 0.000 1.085 216 F CA 1.324 59.299 58.000 -0.042 0.000 1.326 216 F CB -0.509 38.391 39.000 -0.165 0.000 1.027 216 F HN 0.175 nan 8.300 nan 0.000 0.497 217 G N 0.693 109.418 108.800 -0.125 0.000 2.396 217 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.214 217 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.214 217 G C 1.646 176.394 174.900 -0.253 0.000 1.166 217 G CA 0.718 45.719 45.100 -0.165 0.000 0.793 217 G HN 0.295 nan 8.290 nan 0.000 0.533 218 I N 0.639 120.989 120.570 -0.367 0.000 2.226 218 I HA -0.089 4.081 4.170 -0.000 0.000 0.245 218 I C 2.649 178.594 176.117 -0.286 0.000 1.100 218 I CA 0.815 61.871 61.300 -0.407 0.000 1.374 218 I CB -0.916 36.629 38.000 -0.758 0.000 1.057 218 I HN 0.122 nan 8.210 nan 0.000 0.413 219 L N 0.938 121.988 121.223 -0.287 0.000 2.046 219 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 219 L C 2.675 179.359 176.870 -0.311 0.000 1.077 219 L CA 1.810 56.514 54.840 -0.228 0.000 0.747 219 L CB -0.676 41.296 42.059 -0.145 0.000 0.896 219 L HN 0.138 nan 8.230 nan 0.000 0.432 220 R N -1.324 118.887 120.500 -0.481 0.000 2.240 220 R HA -0.014 4.325 4.340 -0.000 0.000 0.203 220 R C 1.885 177.942 176.300 -0.405 0.000 1.011 220 R CA 0.998 56.784 56.100 -0.525 0.000 1.007 220 R CB 0.017 29.821 30.300 -0.826 0.000 0.911 220 R HN 0.584 nan 8.270 nan 0.000 0.468 221 S N -1.410 114.126 115.700 -0.274 0.000 2.512 221 S HA 0.190 4.660 4.470 -0.000 0.000 0.216 221 S C 1.557 176.154 174.600 -0.004 0.000 1.006 221 S CA -0.543 57.614 58.200 -0.073 0.000 0.915 221 S CB 0.401 63.619 63.200 0.029 0.000 0.824 221 S HN 0.285 nan 8.310 nan 0.000 0.497 222 R N 0.613 121.025 120.500 -0.146 0.000 2.342 222 R HA 0.460 4.800 4.340 -0.000 0.000 0.204 222 R C 0.634 176.708 176.300 -0.377 0.000 0.882 222 R CA 0.465 56.434 56.100 -0.219 0.000 1.041 222 R CB 0.252 30.489 30.300 -0.105 0.000 1.188 222 R HN 0.387 nan 8.270 nan 0.000 0.598 223 A N 1.534 124.186 122.820 -0.280 0.000 2.511 223 A HA 0.198 4.518 4.320 -0.000 0.000 0.242 223 A C -0.576 176.815 177.584 -0.322 0.000 1.069 223 A CA 0.273 52.163 52.037 -0.244 0.000 0.763 223 A CB -0.142 18.771 19.000 -0.145 0.000 1.001 223 A HN 0.127 nan 8.150 nan 0.000 0.498 224 F N 2.288 122.147 119.950 -0.152 0.000 2.405 224 F HA 0.290 4.817 4.527 -0.000 0.000 0.355 224 F C 1.357 177.135 175.800 -0.037 0.000 1.121 224 F CA 0.284 58.234 58.000 -0.083 0.000 1.112 224 F CB 1.826 40.758 39.000 -0.114 0.000 1.126 224 F HN 0.679 nan 8.300 nan 0.000 0.481 225 S N 2.256 118.053 115.700 0.162 0.000 2.477 225 S HA 0.104 4.574 4.470 -0.000 0.000 0.162 225 S C 0.183 174.858 174.600 0.125 0.000 0.909 225 S CA -0.480 57.782 58.200 0.104 0.000 1.147 225 S CB -0.216 63.019 63.200 0.058 0.000 0.740 225 S HN 0.526 nan 8.310 nan 0.000 0.478 226 R N 1.749 122.311 120.500 0.102 0.000 4.610 226 R HA -0.086 4.254 4.340 -0.000 0.000 0.124 226 R C -0.520 175.814 176.300 0.057 0.000 0.235 226 R CA 0.241 56.381 56.100 0.067 0.000 0.854 226 R CB -1.364 28.966 30.300 0.049 0.000 1.052 226 R HN 0.320 nan 8.270 nan 0.000 0.286 227 L N 1.184 122.438 121.223 0.052 0.000 2.572 227 L HA 0.517 4.857 4.340 -0.000 0.000 0.236 227 L C -0.307 176.585 176.870 0.037 0.000 1.190 227 L CA -1.323 53.545 54.840 0.047 0.000 1.206 227 L CB 1.325 43.438 42.059 0.090 0.000 1.619 227 L HN 0.371 nan 8.230 nan 0.000 0.446 228 R N 1.219 121.748 120.500 0.049 0.000 2.371 228 R HA 0.426 4.766 4.340 -0.000 0.000 0.312 228 R C -0.458 175.881 176.300 0.065 0.000 0.980 228 R CA -0.475 55.650 56.100 0.042 0.000 0.867 228 R CB 1.058 31.374 30.300 0.026 0.000 1.163 228 R HN 0.572 nan 8.270 nan 0.000 0.492 229 N N 0.027 118.762 118.700 0.058 0.000 2.967 229 N HA -0.147 4.593 4.740 -0.000 0.000 0.212 229 N C -0.531 175.028 175.510 0.082 0.000 0.884 229 N CA 1.627 54.719 53.050 0.069 0.000 1.030 229 N CB -0.371 38.166 38.487 0.082 0.000 1.018 229 N HN 0.588 nan 8.380 nan 0.000 0.596 230 E N 0.780 121.034 120.200 0.089 0.000 2.281 230 E HA 0.517 4.867 4.350 -0.000 0.000 0.262 230 E C 0.860 177.505 176.600 0.075 0.000 0.933 230 E CA -0.465 55.991 56.400 0.094 0.000 0.809 230 E CB 1.087 30.860 29.700 0.122 0.000 1.242 230 E HN 0.405 nan 8.360 nan 0.000 0.418 231 N N 0.349 119.089 118.700 0.067 0.000 1.926 231 N HA 0.058 4.798 4.740 -0.000 0.000 0.221 231 N C -0.626 174.908 175.510 0.040 0.000 1.410 231 N CA -0.031 53.052 53.050 0.054 0.000 0.711 231 N CB 0.482 38.995 38.487 0.043 0.000 1.126 231 N HN 0.320 nan 8.380 nan 0.000 0.546 232 L N 1.495 122.743 121.223 0.042 0.000 2.490 232 L HA 0.442 4.782 4.340 -0.000 0.000 0.261 232 L C -1.723 175.152 176.870 0.008 0.000 1.232 232 L CA -0.400 54.453 54.840 0.022 0.000 0.892 232 L CB 1.560 43.648 42.059 0.048 0.000 1.085 232 L HN -0.127 nan 8.230 nan 0.000 0.491 233 V N 2.297 122.195 119.914 -0.026 0.000 2.531 233 V HA 0.452 4.572 4.120 -0.000 0.000 0.301 233 V C -0.192 175.816 176.094 -0.143 0.000 1.034 233 V CA -0.781 61.453 62.300 -0.110 0.000 0.865 233 V CB 2.287 33.960 31.823 -0.250 0.000 0.995 233 V HN 0.128 nan 8.190 nan 0.000 0.424 234 V N 5.406 125.233 119.914 -0.145 0.000 2.333 234 V HA 0.350 4.470 4.120 -0.000 0.000 0.274 234 V C -0.062 175.900 176.094 -0.219 0.000 1.028 234 V CA -0.448 61.776 62.300 -0.127 0.000 0.851 234 V CB 1.583 33.363 31.823 -0.070 0.000 1.000 234 V HN 0.646 nan 8.190 nan 0.000 0.456 235 V N 8.064 127.840 119.914 -0.229 0.000 2.294 235 V HA 0.235 4.355 4.120 -0.000 0.000 0.272 235 V C -1.284 174.748 176.094 -0.104 0.000 1.027 235 V CA -1.489 60.609 62.300 -0.337 0.000 0.823 235 V CB 1.133 32.416 31.823 -0.901 0.000 1.030 235 V HN 0.621 nan 8.190 nan 0.000 0.457 236 P HA -0.302 nan 4.420 nan 0.000 0.230 236 P C 1.536 179.090 177.300 0.424 0.000 1.150 236 P CA 2.054 65.100 63.100 -0.089 0.000 0.933 236 P CB 0.197 32.002 31.700 0.176 0.000 0.785 237 M N -3.189 116.602 119.600 0.319 0.000 2.571 237 M HA 0.206 4.685 4.480 -0.000 0.000 0.259 237 M C 1.786 178.276 176.300 0.317 0.000 1.205 237 M CA 0.797 56.332 55.300 0.392 0.000 1.138 237 M CB 0.180 32.871 32.600 0.153 0.000 1.329 237 M HN -0.163 nan 8.290 nan 0.000 0.503 238 A N 1.424 124.368 122.820 0.207 0.000 1.933 238 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 238 A C 1.400 179.229 177.584 0.408 0.000 1.175 238 A CA 2.112 54.285 52.037 0.226 0.000 0.628 238 A CB -1.024 17.952 19.000 -0.039 0.000 0.814 238 A HN 0.755 nan 8.150 nan 0.000 0.444 239 D N 0.209 120.853 120.400 0.407 0.000 2.403 239 D HA -0.108 4.531 4.640 -0.000 0.000 0.227 239 D C 1.344 177.793 176.300 0.249 0.000 0.995 239 D CA 0.636 54.812 54.000 0.293 0.000 0.928 239 D CB -0.583 40.332 40.800 0.191 0.000 0.887 239 D HN 0.505 nan 8.370 nan 0.000 0.529 240 L N -0.650 120.752 121.223 0.298 0.000 2.341 240 L HA 0.128 4.468 4.340 -0.000 0.000 0.214 240 L C 1.117 178.123 176.870 0.227 0.000 1.115 240 L CA -0.364 54.630 54.840 0.257 0.000 0.820 240 L CB -0.362 41.880 42.059 0.305 0.000 0.944 240 L HN 0.078 nan 8.230 nan 0.000 0.452 241 I N 1.156 121.878 120.570 0.252 0.000 2.845 241 I HA -0.117 4.053 4.170 -0.000 0.000 0.296 241 I C 0.428 176.713 176.117 0.281 0.000 1.216 241 I CA 0.586 62.022 61.300 0.227 0.000 1.438 241 I CB 0.103 38.257 38.000 0.257 0.000 1.342 241 I HN 0.145 nan 8.210 nan 0.000 0.577 242 N N 4.564 123.401 118.700 0.227 0.000 2.483 242 N HA 0.242 4.982 4.740 -0.000 0.000 0.285 242 N C -1.129 174.499 175.510 0.198 0.000 1.210 242 N CA -0.590 52.618 53.050 0.263 0.000 0.931 242 N CB 0.848 39.486 38.487 0.252 0.000 1.220 242 N HN 0.684 nan 8.380 nan 0.000 0.542 243 H N -0.971 117.838 119.070 -0.435 0.000 2.467 243 H HA 0.448 5.004 4.556 -0.000 0.000 0.331 243 H C -0.859 174.077 175.328 -0.653 0.000 1.120 243 H CA -0.106 55.464 56.048 -0.797 0.000 1.270 243 H CB 0.796 29.636 29.762 -1.537 0.000 1.466 243 H HN 0.281 nan 8.280 nan 0.000 0.504 244 S N 2.959 117.966 115.700 -1.155 0.000 2.571 244 S HA 0.502 4.972 4.470 -0.000 0.000 0.284 244 S C 0.544 174.643 174.600 -0.836 0.000 1.128 244 S CA -0.142 57.458 58.200 -1.002 0.000 0.970 244 S CB 1.002 63.606 63.200 -0.992 0.000 1.039 244 S HN 0.914 nan 8.310 nan 0.000 0.485 245 A N 3.525 126.061 122.820 -0.474 0.000 2.216 245 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 245 A C 1.845 179.314 177.584 -0.192 0.000 1.160 245 A CA 1.355 53.263 52.037 -0.215 0.000 0.725 245 A CB -0.888 18.072 19.000 -0.067 0.000 0.784 245 A HN 1.032 nan 8.150 nan 0.000 0.472 246 G N -0.613 108.036 108.800 -0.251 0.000 2.421 246 G HA2 0.160 4.120 3.960 -0.000 0.000 0.217 246 G HA3 0.160 4.120 3.960 -0.000 0.000 0.217 246 G C 0.618 175.453 174.900 -0.109 0.000 1.143 246 G CA 0.744 45.752 45.100 -0.154 0.000 0.784 246 G HN 0.277 nan 8.290 nan 0.000 0.541 247 V N 1.409 121.237 119.914 -0.145 0.000 2.530 247 V HA 0.373 4.493 4.120 -0.000 0.000 0.282 247 V C 1.123 177.194 176.094 -0.039 0.000 1.048 247 V CA 0.729 62.989 62.300 -0.066 0.000 0.997 247 V CB 1.399 33.186 31.823 -0.060 0.000 0.987 247 V HN 0.352 nan 8.190 nan 0.000 0.477 248 T N -0.792 113.765 114.554 0.006 0.000 3.252 248 T HA 0.231 4.581 4.350 -0.000 0.000 0.286 248 T C 0.199 174.928 174.700 0.049 0.000 1.013 248 T CA 0.015 62.130 62.100 0.025 0.000 0.914 248 T CB 0.246 69.123 68.868 0.016 0.000 1.131 248 T HN 0.663 nan 8.240 nan 0.000 0.529 249 T N 0.567 115.164 114.554 0.072 0.000 2.916 249 T HA 0.372 4.722 4.350 -0.000 0.000 0.298 249 T C -0.239 174.553 174.700 0.153 0.000 1.031 249 T CA -0.563 61.590 62.100 0.089 0.000 0.993 249 T CB 1.964 70.876 68.868 0.073 0.000 1.045 249 T HN 0.213 nan 8.240 nan 0.000 0.454 250 E N 2.562 122.848 120.200 0.143 0.000 2.403 250 E HA 0.102 4.452 4.350 -0.000 0.000 0.188 250 E C -0.556 176.074 176.600 0.049 0.000 1.056 250 E CA -0.125 56.394 56.400 0.198 0.000 0.892 250 E CB 0.315 30.105 29.700 0.150 0.000 1.049 250 E HN 0.579 nan 8.360 nan 0.000 0.465 251 D N 1.028 121.462 120.400 0.055 0.000 2.396 251 D HA 0.013 4.653 4.640 -0.000 0.000 0.225 251 D C 0.513 176.826 176.300 0.023 0.000 1.121 251 D CA -0.217 53.753 54.000 -0.050 0.000 0.853 251 D CB 0.232 41.030 40.800 -0.003 0.000 1.043 251 D HN 0.236 nan 8.370 nan 0.000 0.500 252 H N 1.740 120.839 119.070 0.048 0.000 3.780 252 H HA 0.389 4.945 4.556 -0.000 0.000 0.266 252 H C -1.045 174.250 175.328 -0.054 0.000 1.144 252 H CA -0.563 55.508 56.048 0.038 0.000 1.176 252 H CB -0.261 29.552 29.762 0.085 0.000 1.690 252 H HN 0.274 nan 8.280 nan 0.000 0.835 253 A N 1.226 123.881 122.820 -0.275 0.000 2.398 253 A HA 0.604 4.924 4.320 -0.000 0.000 0.301 253 A C -1.519 175.847 177.584 -0.363 0.000 1.041 253 A CA -0.724 51.037 52.037 -0.459 0.000 0.711 253 A CB 1.722 20.374 19.000 -0.580 0.000 1.240 253 A HN 0.418 nan 8.150 nan 0.000 0.420 254 Y N -0.286 119.741 120.300 -0.455 0.000 2.677 254 Y HA 0.858 5.408 4.550 -0.000 0.000 0.334 254 Y C -0.549 175.160 175.900 -0.318 0.000 1.154 254 Y CA -1.174 56.740 58.100 -0.309 0.000 1.070 254 Y CB 0.877 39.218 38.460 -0.199 0.000 1.294 254 Y HN 0.612 nan 8.280 nan 0.000 0.475 255 E N 0.156 120.404 120.200 0.080 0.000 2.320 255 E HA 0.679 5.029 4.350 -0.000 0.000 0.264 255 E C -1.609 175.069 176.600 0.131 0.000 0.923 255 E CA -1.438 54.965 56.400 0.006 0.000 0.796 255 E CB 3.003 32.703 29.700 0.000 0.000 1.262 255 E HN 0.452 nan 8.360 nan 0.000 0.428 256 V N 2.465 122.401 119.914 0.037 0.000 2.313 256 V HA 0.184 4.304 4.120 -0.000 0.000 0.262 256 V C 0.031 176.037 176.094 -0.146 0.000 1.011 256 V CA -0.474 61.833 62.300 0.012 0.000 0.858 256 V CB 0.262 32.129 31.823 0.073 0.000 1.104 256 V HN 0.547 nan 8.190 nan 0.000 0.456 257 K N 1.792 121.975 120.400 -0.361 0.000 2.959 257 K HA 0.401 4.721 4.320 -0.000 0.000 0.336 257 K C 1.661 177.849 176.600 -0.686 0.000 0.984 257 K CA 0.284 55.971 56.287 -1.000 0.000 1.325 257 K CB 0.122 32.118 32.500 -0.840 0.000 1.390 257 K HN 0.512 nan 8.250 nan 0.000 0.615 258 G N -0.086 108.359 108.800 -0.592 0.000 2.920 258 G HA2 0.001 3.961 3.960 -0.000 0.000 0.208 258 G HA3 0.001 3.961 3.960 -0.000 0.000 0.208 258 G C 1.146 175.981 174.900 -0.109 0.000 1.159 258 G CA 0.538 45.561 45.100 -0.127 0.000 0.784 258 G HN 0.475 nan 8.290 nan 0.000 0.535 259 A N 0.530 123.265 122.820 -0.143 0.000 2.070 259 A HA 0.377 4.697 4.320 -0.000 0.000 0.220 259 A C 2.440 179.974 177.584 -0.083 0.000 1.159 259 A CA 1.881 53.859 52.037 -0.098 0.000 0.656 259 A CB -0.271 18.670 19.000 -0.099 0.000 0.800 259 A HN 0.543 nan 8.150 nan 0.000 0.453 260 A N -1.123 121.642 122.820 -0.090 0.000 2.478 260 A HA 0.470 4.790 4.320 -0.000 0.000 0.210 260 A C 1.589 179.122 177.584 -0.085 0.000 1.728 260 A CA 1.244 53.234 52.037 -0.078 0.000 0.622 260 A CB -0.614 18.344 19.000 -0.070 0.000 1.231 260 A HN 1.352 nan 8.150 nan 0.000 0.497 261 G N -1.432 107.305 108.800 -0.104 0.000 5.413 261 G HA2 0.393 4.353 3.960 -0.000 0.000 0.206 261 G HA3 0.393 4.353 3.960 -0.000 0.000 0.206 261 G C -0.435 174.317 174.900 -0.247 0.000 0.794 261 G CA -0.443 44.565 45.100 -0.152 0.000 0.751 261 G HN 0.273 nan 8.290 nan 0.000 0.334 262 L N 0.771 121.894 121.223 -0.166 0.000 2.357 262 L HA 0.608 4.948 4.340 -0.000 0.000 0.273 262 L C 0.181 176.902 176.870 -0.248 0.000 1.080 262 L CA -1.050 53.670 54.840 -0.200 0.000 0.803 262 L CB 1.255 43.321 42.059 0.011 0.000 1.174 262 L HN 0.111 nan 8.230 nan 0.000 0.443 263 F N 0.395 120.055 119.950 -0.483 0.000 2.429 263 F HA -0.013 4.514 4.527 -0.000 0.000 0.348 263 F C 1.752 176.725 175.800 -1.379 0.000 1.109 263 F CA -0.079 57.284 58.000 -1.061 0.000 1.232 263 F CB 1.389 39.280 39.000 -1.848 0.000 1.157 263 F HN 0.718 nan 8.300 nan 0.000 0.564 264 S N 2.248 117.186 115.700 -1.271 0.000 2.381 264 S HA -0.317 4.153 4.470 -0.000 0.000 0.230 264 S C 1.565 175.406 174.600 -1.265 0.000 1.052 264 S CA 1.869 58.940 58.200 -1.881 0.000 1.068 264 S CB -1.196 61.554 63.200 -0.751 0.000 0.918 264 S HN 0.869 nan 8.310 nan 0.000 0.448 265 W N 1.935 122.938 121.300 -0.495 0.000 2.538 265 W HA 0.263 4.923 4.660 -0.000 0.000 0.254 265 W C 0.536 176.889 176.519 -0.278 0.000 1.249 265 W CA 0.531 57.668 57.345 -0.346 0.000 1.253 265 W CB -0.434 28.892 29.460 -0.224 0.000 1.130 265 W HN 0.141 nan 8.180 nan 0.000 0.618 266 D N -0.662 119.543 120.400 -0.325 0.000 2.402 266 D HA -0.016 4.624 4.640 -0.000 0.000 0.216 266 D C -0.043 176.269 176.300 0.020 0.000 1.128 266 D CA -0.177 53.770 54.000 -0.089 0.000 0.833 266 D CB -0.350 40.419 40.800 -0.052 0.000 0.971 266 D HN -0.007 nan 8.370 nan 0.000 0.503 267 Y N 0.948 121.166 120.300 -0.138 0.000 2.597 267 Y HA 0.139 4.689 4.550 -0.000 0.000 0.336 267 Y C 1.010 176.922 175.900 0.020 0.000 1.216 267 Y CA -0.295 57.770 58.100 -0.058 0.000 1.463 267 Y CB 0.251 38.692 38.460 -0.031 0.000 1.303 267 Y HN -0.185 nan 8.280 nan 0.000 0.576 268 L N 4.412 125.781 121.223 0.244 0.000 2.322 268 L HA 0.336 4.676 4.340 -0.000 0.000 0.281 268 L C -0.591 176.446 176.870 0.279 0.000 1.014 268 L CA -0.783 54.211 54.840 0.257 0.000 0.815 268 L CB 1.231 43.352 42.059 0.103 0.000 1.247 268 L HN 0.467 nan 8.230 nan 0.000 0.421 269 F N 2.502 122.650 119.950 0.329 0.000 2.413 269 F HA 0.310 4.836 4.527 -0.000 0.000 0.359 269 F C 0.172 175.848 175.800 -0.206 0.000 1.122 269 F CA -0.005 57.974 58.000 -0.035 0.000 1.160 269 F CB 0.873 39.634 39.000 -0.398 0.000 1.146 269 F HN 0.346 nan 8.300 nan 0.000 0.514 270 S N 7.255 122.480 115.700 -0.792 0.000 2.433 270 S HA 0.518 4.988 4.470 -0.000 0.000 0.310 270 S C -0.998 173.126 174.600 -0.793 0.000 1.097 270 S CA -0.580 57.142 58.200 -0.795 0.000 1.103 270 S CB 1.251 63.601 63.200 -1.416 0.000 0.992 270 S HN 0.658 nan 8.310 nan 0.000 0.469 271 L N 5.585 126.592 121.223 -0.360 0.000 2.313 271 L HA 0.603 4.943 4.340 -0.000 0.000 0.283 271 L C -0.417 176.429 176.870 -0.039 0.000 1.013 271 L CA -0.222 54.526 54.840 -0.152 0.000 0.816 271 L CB 0.730 42.812 42.059 0.038 0.000 1.236 271 L HN 0.580 nan 8.230 nan 0.000 0.419 272 K N 2.094 122.517 120.400 0.039 0.000 2.295 272 K HA 0.581 4.901 4.320 -0.000 0.000 0.239 272 K C -0.773 175.893 176.600 0.110 0.000 0.991 272 K CA -0.751 55.586 56.287 0.085 0.000 0.845 272 K CB 1.667 34.238 32.500 0.118 0.000 1.197 272 K HN 0.440 nan 8.250 nan 0.000 0.441 273 S N 1.815 117.569 115.700 0.089 0.000 2.416 273 S HA 0.187 4.657 4.470 -0.000 0.000 0.287 273 S C -1.474 173.177 174.600 0.085 0.000 1.139 273 S CA -1.695 56.554 58.200 0.081 0.000 1.058 273 S CB 0.455 63.691 63.200 0.060 0.000 0.967 273 S HN 0.528 nan 8.310 nan 0.000 0.495 274 P HA 0.084 nan 4.420 nan 0.000 0.237 274 P C -0.188 177.150 177.300 0.063 0.000 1.178 274 P CA 0.455 63.609 63.100 0.091 0.000 0.766 274 P CB 0.136 31.905 31.700 0.115 0.000 0.876 275 L N -1.342 119.915 121.223 0.057 0.000 2.327 275 L HA 0.365 4.705 4.340 -0.000 0.000 0.258 275 L C 0.131 177.025 176.870 0.040 0.000 1.024 275 L CA -1.023 53.845 54.840 0.046 0.000 0.825 275 L CB 2.172 44.260 42.059 0.048 0.000 1.386 275 L HN -0.355 nan 8.230 nan 0.000 0.417 276 S N 0.836 116.556 115.700 0.033 0.000 2.499 276 S HA 0.436 4.906 4.470 -0.000 0.000 0.275 276 S C -0.325 174.291 174.600 0.027 0.000 1.257 276 S CA -0.468 57.748 58.200 0.028 0.000 1.050 276 S CB 1.111 64.325 63.200 0.022 0.000 0.937 276 S HN 0.253 nan 8.310 nan 0.000 0.490 277 V N 4.929 124.857 119.914 0.024 0.000 2.448 277 V HA 0.324 4.444 4.120 -0.000 0.000 0.295 277 V C 0.086 176.187 176.094 0.013 0.000 1.025 277 V CA -0.918 61.392 62.300 0.018 0.000 0.859 277 V CB 1.649 33.477 31.823 0.009 0.000 0.988 277 V HN 0.743 nan 8.190 nan 0.000 0.431 278 K N 2.669 123.076 120.400 0.012 0.000 2.168 278 K HA 0.634 4.954 4.320 -0.000 0.000 0.258 278 K C 0.420 177.024 176.600 0.005 0.000 1.010 278 K CA -0.198 56.095 56.287 0.009 0.000 0.929 278 K CB 0.766 33.272 32.500 0.009 0.000 0.998 278 K HN 0.840 nan 8.250 nan 0.000 0.479 279 A N 1.011 123.835 122.820 0.006 0.000 2.540 279 A HA 0.364 4.684 4.320 -0.000 0.000 0.239 279 A C 1.244 178.827 177.584 -0.001 0.000 1.061 279 A CA 0.839 52.879 52.037 0.004 0.000 0.758 279 A CB -0.772 18.233 19.000 0.007 0.000 0.991 279 A HN 0.908 nan 8.150 nan 0.000 0.502 280 G N 1.494 110.291 108.800 -0.007 0.000 2.234 280 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.235 280 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.235 280 G C 0.099 174.986 174.900 -0.020 0.000 0.997 280 G CA 0.448 45.541 45.100 -0.013 0.000 0.623 280 G HN 0.867 nan 8.290 nan 0.000 0.514 281 E N 0.300 120.488 120.200 -0.020 0.000 2.280 281 E HA 0.496 4.846 4.350 -0.000 0.000 0.261 281 E C 0.159 176.716 176.600 -0.072 0.000 1.088 281 E CA -0.624 55.758 56.400 -0.031 0.000 0.915 281 E CB 0.861 30.555 29.700 -0.011 0.000 1.141 281 E HN 0.397 nan 8.360 nan 0.000 0.433 282 Q N 0.958 120.680 119.800 -0.130 0.000 2.243 282 Q HA 0.259 4.599 4.340 -0.000 0.000 0.252 282 Q C -1.194 174.591 176.000 -0.359 0.000 0.909 282 Q CA -0.566 55.067 55.803 -0.284 0.000 0.922 282 Q CB 1.207 29.668 28.738 -0.462 0.000 1.215 282 Q HN 0.262 nan 8.270 nan 0.000 0.427 283 V N 5.454 125.197 119.914 -0.285 0.000 2.432 283 V HA 0.225 4.345 4.120 -0.000 0.000 0.271 283 V C -0.636 175.301 176.094 -0.261 0.000 1.046 283 V CA -0.111 62.084 62.300 -0.174 0.000 0.945 283 V CB -0.236 31.557 31.823 -0.049 0.000 0.992 283 V HN 0.711 nan 8.190 nan 0.000 0.471 284 Y N 4.882 125.172 120.300 -0.017 0.000 2.631 284 Y HA 0.796 5.346 4.550 -0.000 0.000 0.328 284 Y C 0.421 176.287 175.900 -0.056 0.000 1.118 284 Y CA -0.928 57.140 58.100 -0.054 0.000 1.206 284 Y CB 2.043 40.430 38.460 -0.122 0.000 1.337 284 Y HN 0.630 nan 8.280 nan 0.000 0.515 285 I N -1.088 119.552 120.570 0.117 0.000 3.279 285 I HA 0.588 4.758 4.170 -0.000 0.000 0.315 285 I C -1.740 174.343 176.117 -0.057 0.000 1.225 285 I CA -1.340 59.955 61.300 -0.008 0.000 0.947 285 I CB 2.335 40.234 38.000 -0.169 0.000 1.293 285 I HN 0.495 nan 8.210 nan 0.000 0.468 286 Q N 1.025 120.828 119.800 0.006 0.000 2.256 286 Q HA 0.423 4.763 4.340 -0.000 0.000 0.257 286 Q C -1.197 175.059 176.000 0.427 0.000 0.936 286 Q CA -0.176 55.660 55.803 0.056 0.000 0.903 286 Q CB 1.508 30.296 28.738 0.084 0.000 1.263 286 Q HN 0.735 nan 8.270 nan 0.000 0.440 287 Y N 1.244 121.776 120.300 0.387 0.000 2.397 287 Y HA 0.167 4.717 4.550 -0.000 0.000 0.292 287 Y C 0.187 176.212 175.900 0.209 0.000 1.115 287 Y CA -0.018 58.214 58.100 0.219 0.000 1.208 287 Y CB 1.102 39.542 38.460 -0.034 0.000 1.046 287 Y HN 0.593 nan 8.280 nan 0.000 0.552 288 D N -0.722 119.909 120.400 0.385 0.000 2.198 288 D HA 0.022 4.662 4.640 -0.000 0.000 0.147 288 D C -0.240 176.194 176.300 0.223 0.000 1.149 288 D CA -0.015 54.143 54.000 0.262 0.000 1.107 288 D CB 0.027 40.968 40.800 0.235 0.000 2.198 288 D HN 0.095 nan 8.370 nan 0.000 0.584 289 L N 2.180 123.510 121.223 0.178 0.000 2.450 289 L HA -0.060 4.280 4.340 -0.000 0.000 0.224 289 L C 1.877 178.804 176.870 0.094 0.000 1.149 289 L CA 0.715 55.636 54.840 0.134 0.000 0.816 289 L CB -0.167 41.948 42.059 0.094 0.000 0.932 289 L HN 0.282 nan 8.230 nan 0.000 0.449 290 N N -0.728 118.027 118.700 0.093 0.000 2.387 290 N HA 0.008 4.748 4.740 -0.000 0.000 0.176 290 N C 0.501 176.105 175.510 0.157 0.000 1.022 290 N CA 0.301 53.383 53.050 0.052 0.000 0.883 290 N CB 0.160 38.666 38.487 0.031 0.000 1.019 290 N HN 0.208 nan 8.380 nan 0.000 0.435 291 K N 1.977 122.483 120.400 0.177 0.000 2.542 291 K HA 0.012 4.332 4.320 -0.000 0.000 0.276 291 K C 0.843 177.607 176.600 0.273 0.000 0.963 291 K CA 0.216 56.618 56.287 0.192 0.000 0.975 291 K CB 0.354 32.938 32.500 0.139 0.000 0.901 291 K HN 0.194 nan 8.250 nan 0.000 0.506 292 S N 0.586 116.413 115.700 0.211 0.000 2.713 292 S HA 0.209 4.679 4.470 -0.000 0.000 0.283 292 S C 1.003 175.628 174.600 0.041 0.000 1.161 292 S CA -0.865 57.411 58.200 0.126 0.000 0.999 292 S CB 1.137 64.237 63.200 -0.166 0.000 1.039 292 S HN 0.476 nan 8.310 nan 0.000 0.548 293 N N 0.992 119.708 118.700 0.028 0.000 2.104 293 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 293 N C 2.040 177.528 175.510 -0.036 0.000 1.024 293 N CA 1.552 54.612 53.050 0.017 0.000 0.853 293 N CB -1.007 37.521 38.487 0.069 0.000 1.008 293 N HN 0.818 nan 8.380 nan 0.000 0.424 294 A N 1.631 124.422 122.820 -0.048 0.000 1.917 294 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 294 A C 2.033 179.530 177.584 -0.145 0.000 1.182 294 A CA 1.664 53.641 52.037 -0.100 0.000 0.633 294 A CB -0.505 18.425 19.000 -0.118 0.000 0.819 294 A HN 0.439 nan 8.150 nan 0.000 0.448 295 E N -0.337 119.786 120.200 -0.128 0.000 2.158 295 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 295 E C 1.879 178.349 176.600 -0.215 0.000 0.982 295 E CA 0.692 56.996 56.400 -0.160 0.000 0.823 295 E CB -0.237 29.406 29.700 -0.096 0.000 0.766 295 E HN 0.618 nan 8.360 nan 0.000 0.468 296 L N 0.679 121.802 121.223 -0.166 0.000 2.141 296 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 296 L C 2.507 179.157 176.870 -0.367 0.000 1.094 296 L CA 0.811 55.500 54.840 -0.252 0.000 0.763 296 L CB -0.358 41.558 42.059 -0.238 0.000 0.908 296 L HN 0.157 nan 8.230 nan 0.000 0.437 297 A N -0.226 122.446 122.820 -0.248 0.000 1.898 297 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 297 A C 2.126 179.548 177.584 -0.271 0.000 1.183 297 A CA 1.045 52.955 52.037 -0.211 0.000 0.622 297 A CB -0.429 18.474 19.000 -0.162 0.000 0.824 297 A HN 0.290 nan 8.150 nan 0.000 0.444 298 L N 0.057 121.102 121.223 -0.297 0.000 2.072 298 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 298 L C 1.446 178.097 176.870 -0.364 0.000 1.079 298 L CA 2.338 56.995 54.840 -0.306 0.000 0.752 298 L CB -0.541 41.358 42.059 -0.266 0.000 0.906 298 L HN 0.350 nan 8.230 nan 0.000 0.436 299 D N -1.742 118.346 120.400 -0.521 0.000 2.137 299 D HA -0.062 4.578 4.640 -0.000 0.000 0.202 299 D C 0.120 175.889 176.300 -0.886 0.000 0.970 299 D CA 1.115 54.627 54.000 -0.814 0.000 0.837 299 D CB -0.026 40.079 40.800 -1.158 0.000 0.981 299 D HN 0.325 nan 8.370 nan 0.000 0.475 300 Y N -0.724 119.416 120.300 -0.267 0.000 2.598 300 Y HA 0.551 5.101 4.550 -0.000 0.000 0.340 300 Y C 1.326 177.122 175.900 -0.173 0.000 1.038 300 Y CA -1.353 56.621 58.100 -0.210 0.000 1.100 300 Y CB 1.515 39.750 38.460 -0.375 0.000 1.281 300 Y HN -0.232 nan 8.280 nan 0.000 0.488 301 G N 1.200 110.129 108.800 0.215 0.000 3.471 301 G HA2 0.362 4.322 3.960 -0.000 0.000 0.254 301 G HA3 0.362 4.322 3.960 -0.000 0.000 0.254 301 G C -0.779 174.315 174.900 0.323 0.000 1.199 301 G CA 0.157 45.404 45.100 0.246 0.000 1.683 301 G HN 0.471 nan 8.290 nan 0.000 0.625 302 F N -0.977 119.067 119.950 0.156 0.000 2.831 302 F HA 0.805 5.332 4.527 -0.000 0.000 0.318 302 F C -1.147 174.696 175.800 0.071 0.000 1.174 302 F CA -2.528 55.535 58.000 0.105 0.000 0.918 302 F CB 1.230 40.260 39.000 0.050 0.000 1.364 302 F HN 0.124 nan 8.300 nan 0.000 0.475 303 I N -1.794 119.064 120.570 0.480 0.000 3.093 303 I HA 0.678 4.848 4.170 -0.000 0.000 0.308 303 I C -1.697 174.592 176.117 0.287 0.000 1.303 303 I CA -0.980 60.501 61.300 0.302 0.000 0.975 303 I CB 2.636 40.736 38.000 0.166 0.000 1.286 303 I HN 0.744 nan 8.210 nan 0.000 0.459 304 E N 2.481 122.785 120.200 0.173 0.000 2.235 304 E HA 0.402 4.752 4.350 -0.000 0.000 0.265 304 E C -2.165 174.451 176.600 0.027 0.000 0.940 304 E CA -1.708 54.748 56.400 0.094 0.000 0.819 304 E CB 2.018 31.773 29.700 0.092 0.000 1.206 304 E HN 0.481 nan 8.360 nan 0.000 0.409 305 P HA -0.054 nan 4.420 nan 0.000 0.231 305 P C -0.119 177.159 177.300 -0.037 0.000 1.168 305 P CA 0.391 63.492 63.100 0.003 0.000 0.779 305 P CB 0.158 31.865 31.700 0.012 0.000 0.844 306 N N 1.245 119.920 118.700 -0.042 0.000 2.411 306 N HA -0.103 4.637 4.740 -0.000 0.000 0.265 306 N C 1.211 176.634 175.510 -0.145 0.000 1.266 306 N CA 0.343 53.368 53.050 -0.042 0.000 0.889 306 N CB 0.311 38.798 38.487 -0.000 0.000 1.069 306 N HN 0.237 nan 8.380 nan 0.000 0.476 307 E N 2.767 122.923 120.200 -0.073 0.000 2.204 307 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 307 E C 0.144 176.769 176.600 0.042 0.000 0.989 307 E CA 0.822 57.167 56.400 -0.093 0.000 0.824 307 E CB -0.213 29.536 29.700 0.082 0.000 0.756 307 E HN 0.553 nan 8.360 nan 0.000 0.477 308 N N 0.741 119.524 118.700 0.138 0.000 2.571 308 N HA -0.031 4.709 4.740 -0.000 0.000 0.189 308 N C 1.062 176.728 175.510 0.260 0.000 1.154 308 N CA 0.369 53.565 53.050 0.243 0.000 0.907 308 N CB 0.048 38.641 38.487 0.176 0.000 0.977 308 N HN 0.202 nan 8.380 nan 0.000 0.449 309 R N 0.141 120.690 120.500 0.082 0.000 2.312 309 R HA 0.094 4.434 4.340 -0.000 0.000 0.205 309 R C -0.141 176.201 176.300 0.071 0.000 0.904 309 R CA -0.024 56.150 56.100 0.124 0.000 1.052 309 R CB -0.047 30.254 30.300 0.002 0.000 1.014 309 R HN 0.446 nan 8.270 nan 0.000 0.503 310 H N 0.218 119.357 119.070 0.116 0.000 2.878 310 H HA 0.331 4.887 4.556 -0.000 0.000 0.290 310 H C 0.094 175.381 175.328 -0.069 0.000 1.065 310 H CA -0.318 55.732 56.048 0.004 0.000 1.477 310 H CB 0.987 30.723 29.762 -0.044 0.000 1.484 310 H HN 0.152 nan 8.280 nan 0.000 0.504 311 A N 3.684 126.430 122.820 -0.124 0.000 2.437 311 A HA 0.652 4.972 4.320 -0.000 0.000 0.292 311 A C -1.777 175.774 177.584 -0.056 0.000 1.173 311 A CA -0.687 51.137 52.037 -0.355 0.000 0.785 311 A CB 1.484 19.803 19.000 -1.136 0.000 1.351 311 A HN 0.702 nan 8.150 nan 0.000 0.431 312 Y N -0.313 119.900 120.300 -0.144 0.000 2.299 312 Y HA 0.439 4.989 4.550 -0.000 0.000 0.318 312 Y C -0.200 175.705 175.900 0.008 0.000 1.205 312 Y CA 0.113 58.190 58.100 -0.037 0.000 1.106 312 Y CB 1.666 40.137 38.460 0.017 0.000 1.246 312 Y HN 0.891 nan 8.280 nan 0.000 0.415 313 T N 6.566 121.020 114.554 -0.166 0.000 2.806 313 T HA 0.618 4.967 4.350 -0.000 0.000 0.290 313 T C -0.714 174.057 174.700 0.119 0.000 0.966 313 T CA -0.400 61.721 62.100 0.035 0.000 1.060 313 T CB 0.203 69.073 68.868 0.003 0.000 0.927 313 T HN 0.575 nan 8.240 nan 0.000 0.485 314 L N 4.497 125.865 121.223 0.243 0.000 2.343 314 L HA 0.571 4.911 4.340 -0.000 0.000 0.275 314 L C 0.874 177.846 176.870 0.170 0.000 1.056 314 L CA -1.006 53.966 54.840 0.220 0.000 0.804 314 L CB 1.796 43.969 42.059 0.190 0.000 1.203 314 L HN 0.818 nan 8.230 nan 0.000 0.440 315 T N 1.903 116.500 114.554 0.072 0.000 2.807 315 T HA 0.698 5.047 4.350 -0.000 0.000 0.279 315 T C -0.733 173.890 174.700 -0.128 0.000 0.993 315 T CA -0.670 61.359 62.100 -0.118 0.000 0.970 315 T CB 0.876 69.656 68.868 -0.147 0.000 0.950 315 T HN 0.385 nan 8.240 nan 0.000 0.441 316 L N 3.666 124.760 121.223 -0.216 0.000 2.365 316 L HA 0.739 5.079 4.340 -0.000 0.000 0.273 316 L C -0.195 176.603 176.870 -0.119 0.000 1.000 316 L CA -0.960 53.786 54.840 -0.157 0.000 0.819 316 L CB 1.998 43.898 42.059 -0.265 0.000 1.284 316 L HN 0.892 nan 8.230 nan 0.000 0.418 317 E N 2.762 123.002 120.200 0.067 0.000 2.356 317 E HA 0.522 4.872 4.350 -0.000 0.000 0.275 317 E C -1.360 175.378 176.600 0.230 0.000 0.904 317 E CA -0.867 55.628 56.400 0.158 0.000 0.757 317 E CB 2.504 32.247 29.700 0.073 0.000 1.232 317 E HN 0.486 nan 8.360 nan 0.000 0.442 318 I N 2.509 123.240 120.570 0.268 0.000 2.308 318 I HA 0.114 4.283 4.170 -0.000 0.000 0.293 318 I C 0.407 176.735 176.117 0.351 0.000 1.078 318 I CA -0.411 61.028 61.300 0.231 0.000 1.292 318 I CB 1.118 39.176 38.000 0.096 0.000 1.423 318 I HN 0.487 nan 8.210 nan 0.000 0.493 319 S N 4.734 120.590 115.700 0.260 0.000 2.564 319 S HA 0.091 4.561 4.470 -0.000 0.000 0.278 319 S C 1.147 175.857 174.600 0.183 0.000 1.333 319 S CA -0.387 57.922 58.200 0.181 0.000 1.048 319 S CB 0.648 63.903 63.200 0.092 0.000 0.900 319 S HN 0.657 nan 8.310 nan 0.000 0.505 320 E N 2.665 122.751 120.200 -0.190 0.000 2.478 320 E HA -0.035 4.315 4.350 -0.000 0.000 0.198 320 E C 1.287 177.741 176.600 -0.243 0.000 1.046 320 E CA 0.579 56.565 56.400 -0.690 0.000 0.870 320 E CB 0.016 29.207 29.700 -0.850 0.000 0.818 320 E HN 0.598 nan 8.360 nan 0.000 0.527 321 S N 0.864 116.512 115.700 -0.086 0.000 2.603 321 S HA -0.051 4.419 4.470 -0.000 0.000 0.220 321 S C 0.484 175.099 174.600 0.026 0.000 0.967 321 S CA 0.042 58.221 58.200 -0.035 0.000 0.920 321 S CB 0.014 63.202 63.200 -0.019 0.000 0.773 321 S HN 0.204 nan 8.310 nan 0.000 0.529 322 D N 2.720 123.177 120.400 0.094 0.000 2.325 322 D HA 0.128 4.768 4.640 -0.000 0.000 0.251 322 D C -1.337 175.059 176.300 0.160 0.000 1.196 322 D CA -2.155 51.943 54.000 0.163 0.000 0.866 322 D CB 1.366 42.304 40.800 0.231 0.000 1.101 322 D HN 0.031 nan 8.370 nan 0.000 0.476 323 P HA -0.157 nan 4.420 nan 0.000 0.219 323 P C 0.472 177.602 177.300 -0.284 0.000 1.144 323 P CA 1.009 64.035 63.100 -0.123 0.000 0.806 323 P CB -0.012 31.563 31.700 -0.208 0.000 0.771 324 F N -2.889 117.092 119.950 0.053 0.000 2.708 324 F HA 0.268 4.795 4.527 -0.000 0.000 0.300 324 F C 1.795 177.631 175.800 0.060 0.000 1.118 324 F CA -1.124 56.897 58.000 0.034 0.000 1.307 324 F CB -0.962 38.023 39.000 -0.025 0.000 0.986 324 F HN -0.250 nan 8.300 nan 0.000 0.522 325 F N 1.906 121.919 119.950 0.105 0.000 2.037 325 F HA -0.369 4.158 4.527 -0.000 0.000 0.296 325 F C 2.195 178.031 175.800 0.060 0.000 1.132 325 F CA 2.297 60.338 58.000 0.067 0.000 1.211 325 F CB -0.370 38.652 39.000 0.037 0.000 0.951 325 F HN 0.013 nan 8.300 nan 0.000 0.503 326 D N 0.378 120.819 120.400 0.068 0.000 2.160 326 D HA -0.253 4.386 4.640 -0.000 0.000 0.189 326 D C 1.953 178.185 176.300 -0.114 0.000 1.003 326 D CA 2.033 55.994 54.000 -0.065 0.000 0.846 326 D CB -0.756 40.112 40.800 0.114 0.000 0.949 326 D HN 0.450 nan 8.370 nan 0.000 0.446 327 D N 0.823 121.220 120.400 -0.006 0.000 2.106 327 D HA -0.151 4.489 4.640 -0.000 0.000 0.191 327 D C 2.083 178.349 176.300 -0.056 0.000 0.997 327 D CA 1.006 55.010 54.000 0.007 0.000 0.834 327 D CB -0.154 40.697 40.800 0.086 0.000 0.956 327 D HN 0.284 nan 8.370 nan 0.000 0.448 328 K N 0.150 120.497 120.400 -0.087 0.000 2.032 328 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 328 K C 2.135 178.616 176.600 -0.200 0.000 1.048 328 K CA 0.540 56.741 56.287 -0.145 0.000 0.927 328 K CB -0.317 32.097 32.500 -0.144 0.000 0.712 328 K HN 0.038 nan 8.250 nan 0.000 0.441 329 L N 1.932 122.944 121.223 -0.352 0.000 2.079 329 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 329 L C 1.723 178.502 176.870 -0.152 0.000 1.081 329 L CA 1.931 56.565 54.840 -0.343 0.000 0.752 329 L CB -0.655 41.015 42.059 -0.647 0.000 0.896 329 L HN 0.166 nan 8.230 nan 0.000 0.433 330 D N -1.372 118.957 120.400 -0.118 0.000 2.078 330 D HA -0.180 4.460 4.640 -0.000 0.000 0.193 330 D C 2.114 178.413 176.300 -0.001 0.000 0.990 330 D CA 1.740 55.716 54.000 -0.040 0.000 0.827 330 D CB 0.051 40.840 40.800 -0.018 0.000 0.975 330 D HN 0.168 nan 8.370 nan 0.000 0.451 331 V N 0.946 120.866 119.914 0.010 0.000 2.380 331 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 331 V C 2.501 178.678 176.094 0.138 0.000 1.063 331 V CA 1.900 64.250 62.300 0.084 0.000 1.055 331 V CB -1.120 30.747 31.823 0.072 0.000 0.657 331 V HN 0.375 nan 8.190 nan 0.000 0.455 332 A N 0.093 122.957 122.820 0.073 0.000 1.841 332 A HA -0.213 4.107 4.320 -0.000 0.000 0.214 332 A C 2.211 179.880 177.584 0.142 0.000 1.195 332 A CA 1.767 53.880 52.037 0.127 0.000 0.611 332 A CB -0.494 18.516 19.000 0.017 0.000 0.835 332 A HN 0.626 nan 8.150 nan 0.000 0.443 333 E N 0.268 120.513 120.200 0.074 0.000 2.077 333 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 333 E C 2.044 178.644 176.600 -0.001 0.000 0.989 333 E CA 1.279 57.707 56.400 0.047 0.000 0.800 333 E CB -0.271 29.444 29.700 0.025 0.000 0.746 333 E HN 0.519 nan 8.360 nan 0.000 0.452 334 S N 1.053 116.752 115.700 -0.002 0.000 2.537 334 S HA -0.041 4.429 4.470 -0.000 0.000 0.240 334 S C 1.029 175.580 174.600 -0.082 0.000 0.981 334 S CA 0.561 58.748 58.200 -0.022 0.000 0.948 334 S CB -0.063 63.144 63.200 0.011 0.000 0.759 334 S HN 0.251 nan 8.310 nan 0.000 0.531 335 N N 0.072 118.687 118.700 -0.141 0.000 2.351 335 N HA 0.220 4.960 4.740 -0.000 0.000 0.254 335 N C 0.712 176.030 175.510 -0.320 0.000 1.241 335 N CA 0.476 53.310 53.050 -0.360 0.000 0.883 335 N CB 1.223 39.179 38.487 -0.886 0.000 1.202 335 N HN 0.417 nan 8.380 nan 0.000 0.512 336 G N 0.741 109.409 108.800 -0.221 0.000 2.136 336 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 336 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 336 G C -0.285 174.330 174.900 -0.475 0.000 0.989 336 G CA 0.052 44.943 45.100 -0.350 0.000 0.682 336 G HN 0.275 nan 8.290 nan 0.000 0.522 337 F N -0.041 119.895 119.950 -0.022 0.000 2.593 337 F HA 0.838 5.365 4.527 -0.000 0.000 0.320 337 F C 0.595 176.462 175.800 0.112 0.000 1.060 337 F CA -0.340 57.728 58.000 0.113 0.000 0.940 337 F CB 1.736 40.947 39.000 0.352 0.000 1.268 337 F HN 0.257 nan 8.300 nan 0.000 0.475 338 A N 0.463 123.488 122.820 0.341 0.000 2.420 338 A HA 0.339 4.659 4.320 -0.000 0.000 0.291 338 A C 1.032 178.771 177.584 0.259 0.000 1.228 338 A CA -0.395 51.774 52.037 0.219 0.000 0.933 338 A CB 0.675 19.763 19.000 0.147 0.000 1.428 338 A HN 0.799 nan 8.150 nan 0.000 0.493 339 Q N -0.968 118.943 119.800 0.185 0.000 2.226 339 Q HA -0.056 4.284 4.340 -0.000 0.000 0.204 339 Q C -0.432 175.703 176.000 0.226 0.000 0.975 339 Q CA 1.354 57.276 55.803 0.199 0.000 0.866 339 Q CB 0.037 28.904 28.738 0.215 0.000 0.915 339 Q HN 0.698 nan 8.270 nan 0.000 0.440 340 T N 0.170 114.817 114.554 0.154 0.000 2.879 340 T HA 0.658 5.008 4.350 -0.000 0.000 0.290 340 T C -1.439 173.198 174.700 -0.104 0.000 0.993 340 T CA -0.423 61.679 62.100 0.005 0.000 0.975 340 T CB 1.686 70.525 68.868 -0.048 0.000 0.981 340 T HN 0.190 nan 8.240 nan 0.000 0.439 341 A N 2.966 125.597 122.820 -0.316 0.000 2.386 341 A HA 0.837 5.157 4.320 -0.000 0.000 0.311 341 A C -1.804 175.406 177.584 -0.624 0.000 1.068 341 A CA -0.716 51.096 52.037 -0.375 0.000 0.743 341 A CB 1.043 19.862 19.000 -0.302 0.000 1.258 341 A HN 0.795 nan 8.150 nan 0.000 0.429 342 Y N 0.310 120.401 120.300 -0.349 0.000 2.335 342 Y HA 0.611 5.161 4.550 -0.000 0.000 0.338 342 Y C -0.869 174.774 175.900 -0.430 0.000 0.977 342 Y CA -0.431 57.523 58.100 -0.243 0.000 1.114 342 Y CB 1.655 40.026 38.460 -0.149 0.000 1.182 342 Y HN 0.522 nan 8.280 nan 0.000 0.463 343 F N 2.679 122.710 119.950 0.135 0.000 2.445 343 F HA 0.307 4.834 4.527 -0.000 0.000 0.348 343 F C -0.220 175.677 175.800 0.162 0.000 1.125 343 F CA -1.227 56.862 58.000 0.147 0.000 0.983 343 F CB 1.030 40.097 39.000 0.112 0.000 1.198 343 F HN 0.423 nan 8.300 nan 0.000 0.436 344 D N 4.731 125.315 120.400 0.306 0.000 2.348 344 D HA 0.311 4.951 4.640 -0.000 0.000 0.253 344 D C -0.041 176.472 176.300 0.355 0.000 1.161 344 D CA 0.349 54.511 54.000 0.271 0.000 0.876 344 D CB 1.754 42.741 40.800 0.311 0.000 1.160 344 D HN 0.380 nan 8.370 nan 0.000 0.459 345 I N 3.165 123.899 120.570 0.274 0.000 2.382 345 I HA 0.199 4.369 4.170 -0.000 0.000 0.285 345 I C -0.353 175.921 176.117 0.261 0.000 1.007 345 I CA -0.677 60.807 61.300 0.307 0.000 1.142 345 I CB 0.676 38.835 38.000 0.264 0.000 1.289 345 I HN 0.058 nan 8.210 nan 0.000 0.453 346 F N 5.122 125.179 119.950 0.179 0.000 2.379 346 F HA 0.278 4.805 4.527 -0.000 0.000 0.332 346 F C 0.311 176.239 175.800 0.213 0.000 1.096 346 F CA -0.379 57.738 58.000 0.195 0.000 1.105 346 F CB 0.585 39.676 39.000 0.152 0.000 1.189 346 F HN 0.290 nan 8.300 nan 0.000 0.515 347 Y N 3.736 124.203 120.300 0.279 0.000 2.712 347 Y HA -0.014 4.536 4.550 -0.000 0.000 0.333 347 Y C 1.097 177.106 175.900 0.183 0.000 1.225 347 Y CA 0.237 58.459 58.100 0.203 0.000 1.499 347 Y CB 0.098 38.683 38.460 0.208 0.000 1.288 347 Y HN 0.715 nan 8.280 nan 0.000 0.575 348 N N 1.446 119.869 118.700 -0.461 0.000 2.815 348 N HA -0.303 4.437 4.740 -0.000 0.000 0.247 348 N C -0.102 175.364 175.510 -0.072 0.000 1.030 348 N CA 1.402 54.263 53.050 -0.314 0.000 0.881 348 N CB -0.798 37.556 38.487 -0.220 0.000 1.134 348 N HN 0.745 nan 8.380 nan 0.000 0.582 349 R N 0.557 121.073 120.500 0.028 0.000 2.691 349 R HA 0.482 4.822 4.340 -0.000 0.000 0.259 349 R C 0.281 176.612 176.300 0.051 0.000 1.048 349 R CA -0.004 56.133 56.100 0.060 0.000 1.086 349 R CB 0.781 31.157 30.300 0.126 0.000 1.166 349 R HN 0.165 nan 8.270 nan 0.000 0.526 350 T N 0.020 114.602 114.554 0.047 0.000 2.909 350 T HA 0.304 4.654 4.350 -0.000 0.000 0.289 350 T C 0.602 175.351 174.700 0.081 0.000 1.005 350 T CA -0.791 61.333 62.100 0.040 0.000 1.084 350 T CB 0.573 69.455 68.868 0.022 0.000 0.975 350 T HN 0.376 nan 8.240 nan 0.000 0.509 351 L N 3.818 125.084 121.223 0.071 0.000 2.578 351 L HA 0.197 4.537 4.340 -0.000 0.000 0.279 351 L C -1.436 175.514 176.870 0.133 0.000 1.227 351 L CA -1.454 53.452 54.840 0.110 0.000 0.900 351 L CB -0.402 41.697 42.059 0.068 0.000 1.144 351 L HN 0.590 nan 8.230 nan 0.000 0.496 352 P HA 0.101 nan 4.420 nan 0.000 0.268 352 P C -2.416 175.035 177.300 0.253 0.000 1.204 352 P CA -1.112 62.140 63.100 0.253 0.000 0.768 352 P CB -0.067 31.857 31.700 0.374 0.000 0.842 353 P HA -0.011 nan 4.420 nan 0.000 0.266 353 P C 0.931 178.486 177.300 0.426 0.000 1.195 353 P CA 0.961 64.220 63.100 0.266 0.000 0.768 353 P CB 0.193 32.038 31.700 0.243 0.000 0.838 354 G N 1.614 110.634 108.800 0.367 0.000 2.259 354 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 354 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 354 G C 0.588 175.406 174.900 -0.137 0.000 1.001 354 G CA 0.235 45.622 45.100 0.478 0.000 0.627 354 G HN 0.553 nan 8.290 nan 0.000 0.501 355 L N 1.162 122.109 121.223 -0.461 0.000 2.005 355 L HA 0.344 4.684 4.340 -0.000 0.000 0.207 355 L C 2.766 179.420 176.870 -0.360 0.000 1.072 355 L CA 2.517 56.829 54.840 -0.881 0.000 0.744 355 L CB -0.633 41.101 42.059 -0.541 0.000 0.895 355 L HN 0.398 nan 8.230 nan 0.000 0.433 356 L N 0.223 121.349 121.223 -0.162 0.000 1.994 356 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 356 L C -0.174 176.594 176.870 -0.170 0.000 1.071 356 L CA 1.555 56.338 54.840 -0.094 0.000 0.745 356 L CB -2.112 39.914 42.059 -0.054 0.000 0.892 356 L HN 0.284 nan 8.230 nan 0.000 0.431 357 P HA -0.265 nan 4.420 nan 0.000 0.215 357 P C 1.496 178.493 177.300 -0.506 0.000 1.153 357 P CA 1.730 64.534 63.100 -0.494 0.000 0.853 357 P CB -0.137 31.085 31.700 -0.797 0.000 0.788 358 Y N 0.591 120.599 120.300 -0.487 0.000 2.128 358 Y HA -0.175 4.375 4.550 -0.000 0.000 0.284 358 Y C 2.623 178.365 175.900 -0.263 0.000 1.154 358 Y CA 1.310 59.194 58.100 -0.359 0.000 1.149 358 Y CB -0.815 37.457 38.460 -0.313 0.000 0.976 358 Y HN -0.249 nan 8.280 nan 0.000 0.505 359 L N -0.488 120.730 121.223 -0.008 0.000 2.046 359 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 359 L C 2.518 179.334 176.870 -0.090 0.000 1.077 359 L CA 1.443 56.268 54.840 -0.026 0.000 0.747 359 L CB -0.437 41.592 42.059 -0.051 0.000 0.896 359 L HN 0.154 nan 8.230 nan 0.000 0.432 360 R N -0.583 119.826 120.500 -0.151 0.000 2.096 360 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 360 R C 2.171 178.326 176.300 -0.241 0.000 1.127 360 R CA 1.175 57.162 56.100 -0.188 0.000 0.968 360 R CB -0.407 29.765 30.300 -0.213 0.000 0.861 360 R HN 0.164 nan 8.270 nan 0.000 0.440 361 L N 0.463 121.503 121.223 -0.305 0.000 2.046 361 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 361 L C 1.951 178.676 176.870 -0.242 0.000 1.077 361 L CA 1.595 56.234 54.840 -0.335 0.000 0.747 361 L CB -0.305 41.472 42.059 -0.469 0.000 0.896 361 L HN -0.073 nan 8.230 nan 0.000 0.432 362 V N -0.080 119.738 119.914 -0.161 0.000 2.358 362 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 362 V C 2.565 178.613 176.094 -0.076 0.000 1.047 362 V CA 1.573 63.835 62.300 -0.063 0.000 1.035 362 V CB -1.033 30.818 31.823 0.047 0.000 0.658 362 V HN 0.589 nan 8.190 nan 0.000 0.452 363 A N -0.951 121.808 122.820 -0.103 0.000 2.218 363 A HA 0.083 4.402 4.320 -0.000 0.000 0.209 363 A C 1.828 179.316 177.584 -0.160 0.000 1.168 363 A CA 0.325 52.297 52.037 -0.108 0.000 0.804 363 A CB -0.290 18.650 19.000 -0.099 0.000 0.834 363 A HN 0.362 nan 8.150 nan 0.000 0.482 364 L N 0.148 121.242 121.223 -0.214 0.000 2.199 364 L HA -0.176 4.163 4.340 -0.000 0.000 0.248 364 L C 1.364 178.045 176.870 -0.316 0.000 1.116 364 L CA 2.436 57.093 54.840 -0.306 0.000 0.843 364 L CB -1.433 40.403 42.059 -0.372 0.000 0.961 364 L HN 1.242 nan 8.230 nan 0.000 0.441 365 G N -4.239 104.357 108.800 -0.340 0.000 2.750 365 G HA2 0.103 4.063 3.960 -0.000 0.000 0.686 365 G HA3 0.103 4.063 3.960 -0.000 0.000 0.686 365 G C 0.831 175.536 174.900 -0.324 0.000 1.395 365 G CA 0.163 45.097 45.100 -0.277 0.000 0.918 365 G HN 1.277 nan 8.290 nan 0.000 0.594 366 G N 0.939 109.637 108.800 -0.170 0.000 2.913 366 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.269 366 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.269 366 G C 2.012 176.847 174.900 -0.107 0.000 1.091 366 G CA 2.851 47.912 45.100 -0.066 0.000 0.753 366 G HN 1.936 nan 8.290 nan 0.000 0.776 367 T N 1.092 115.594 114.554 -0.086 0.000 2.592 367 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 367 T C 1.645 176.299 174.700 -0.077 0.000 1.060 367 T CA 1.848 63.918 62.100 -0.051 0.000 1.167 367 T CB -0.393 68.442 68.868 -0.054 0.000 0.863 367 T HN 0.479 nan 8.240 nan 0.000 0.431 368 D N 1.016 121.250 120.400 -0.275 0.000 2.325 368 D HA 0.346 4.986 4.640 -0.000 0.000 0.225 368 D C 1.764 177.537 176.300 -0.877 0.000 1.096 368 D CA 0.218 53.849 54.000 -0.617 0.000 0.844 368 D CB -0.075 40.375 40.800 -0.584 0.000 0.925 368 D HN 0.402 nan 8.370 nan 0.000 0.513 369 A N 1.079 123.541 122.820 -0.597 0.000 2.070 369 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 369 A C 1.783 179.081 177.584 -0.477 0.000 1.159 369 A CA 0.536 52.178 52.037 -0.657 0.000 0.656 369 A CB -1.044 17.529 19.000 -0.711 0.000 0.800 369 A HN 0.372 nan 8.150 nan 0.000 0.453 370 F N -0.552 119.225 119.950 -0.289 0.000 2.373 370 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 370 F C 1.333 176.857 175.800 -0.461 0.000 1.080 370 F CA 0.861 58.710 58.000 -0.252 0.000 1.417 370 F CB -0.847 38.021 39.000 -0.220 0.000 1.070 370 F HN 0.116 nan 8.300 nan 0.000 0.546 371 L N 0.286 120.756 121.223 -1.254 0.000 2.465 371 L HA -0.020 4.320 4.340 -0.000 0.000 0.224 371 L C 1.849 178.403 176.870 -0.527 0.000 1.145 371 L CA 0.442 54.552 54.840 -1.217 0.000 0.834 371 L CB -0.413 40.918 42.059 -1.212 0.000 0.944 371 L HN 0.293 nan 8.230 nan 0.000 0.451 372 L N -0.673 120.348 121.223 -0.338 0.000 2.627 372 L HA 0.050 4.390 4.340 -0.000 0.000 0.233 372 L C 0.619 177.521 176.870 0.054 0.000 1.144 372 L CA -0.091 54.682 54.840 -0.111 0.000 0.892 372 L CB -0.174 41.824 42.059 -0.102 0.000 1.039 372 L HN 0.143 nan 8.230 nan 0.000 0.442 373 E N 0.024 120.310 120.200 0.142 0.000 2.366 373 E HA 0.047 4.397 4.350 -0.000 0.000 0.266 373 E C 1.304 178.058 176.600 0.256 0.000 1.051 373 E CA 0.165 56.706 56.400 0.236 0.000 0.884 373 E CB 1.241 31.144 29.700 0.339 0.000 1.006 373 E HN 0.095 nan 8.360 nan 0.000 0.417 374 S N 1.729 117.528 115.700 0.164 0.000 2.441 374 S HA -0.249 4.220 4.470 -0.000 0.000 0.242 374 S C 1.734 176.400 174.600 0.111 0.000 1.018 374 S CA 0.985 59.258 58.200 0.122 0.000 0.988 374 S CB -0.207 63.041 63.200 0.080 0.000 0.778 374 S HN 0.483 nan 8.310 nan 0.000 0.498 375 L N 0.465 121.753 121.223 0.109 0.000 2.131 375 L HA 0.129 4.469 4.340 -0.000 0.000 0.210 375 L C 1.377 178.123 176.870 -0.208 0.000 1.092 375 L CA 1.598 56.384 54.840 -0.091 0.000 0.759 375 L CB -0.718 41.206 42.059 -0.225 0.000 0.903 375 L HN 0.306 nan 8.230 nan 0.000 0.435 376 F N -1.649 118.361 119.950 0.099 0.000 2.678 376 F HA 0.277 4.804 4.527 -0.000 0.000 0.305 376 F C 1.840 177.709 175.800 0.115 0.000 1.090 376 F CA -0.335 57.742 58.000 0.128 0.000 1.272 376 F CB -0.420 38.656 39.000 0.127 0.000 1.060 376 F HN -0.155 nan 8.300 nan 0.000 0.576 377 R N 0.773 121.415 120.500 0.237 0.000 2.388 377 R HA -0.138 4.202 4.340 -0.000 0.000 0.233 377 R C 0.251 176.642 176.300 0.151 0.000 1.156 377 R CA 0.908 57.111 56.100 0.171 0.000 1.036 377 R CB -0.722 29.648 30.300 0.117 0.000 0.847 377 R HN 0.352 nan 8.270 nan 0.000 0.483 378 D N -1.468 119.024 120.400 0.152 0.000 2.469 378 D HA 0.063 4.703 4.640 -0.000 0.000 0.215 378 D C 0.698 177.085 176.300 0.146 0.000 1.154 378 D CA 0.510 54.583 54.000 0.122 0.000 0.832 378 D CB 1.018 41.864 40.800 0.077 0.000 1.008 378 D HN 0.289 nan 8.370 nan 0.000 0.506 379 T N -2.785 111.900 114.554 0.218 0.000 3.191 379 T HA 0.144 4.494 4.350 -0.000 0.000 0.285 379 T C 1.676 176.555 174.700 0.300 0.000 0.887 379 T CA -0.296 61.931 62.100 0.210 0.000 0.881 379 T CB -0.206 68.798 68.868 0.227 0.000 1.217 379 T HN 0.026 nan 8.240 nan 0.000 0.591 380 I N 0.226 121.007 120.570 0.353 0.000 2.163 380 I HA -0.074 4.096 4.170 -0.000 0.000 0.243 380 I C 2.195 178.426 176.117 0.190 0.000 1.085 380 I CA 1.427 62.895 61.300 0.282 0.000 1.347 380 I CB -0.059 38.047 38.000 0.177 0.000 1.044 380 I HN 0.457 nan 8.210 nan 0.000 0.408 381 W N 1.792 123.134 121.300 0.069 0.000 2.402 381 W HA -0.110 4.550 4.660 -0.000 0.000 0.286 381 W C 2.128 178.671 176.519 0.040 0.000 1.221 381 W CA 1.579 58.949 57.345 0.042 0.000 1.257 381 W CB -0.536 28.959 29.460 0.058 0.000 1.120 381 W HN 0.287 nan 8.180 nan 0.000 0.551 382 G N -0.279 108.631 108.800 0.184 0.000 2.433 382 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 382 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 382 G C 1.342 176.212 174.900 -0.049 0.000 1.186 382 G CA 1.155 46.284 45.100 0.047 0.000 0.779 382 G HN 0.285 nan 8.290 nan 0.000 0.543 383 H N 0.431 119.538 119.070 0.063 0.000 2.387 383 H HA 0.024 4.580 4.556 -0.000 0.000 0.299 383 H C 2.755 178.039 175.328 -0.074 0.000 1.099 383 H CA 1.076 57.154 56.048 0.050 0.000 1.315 383 H CB -0.296 29.523 29.762 0.095 0.000 1.380 383 H HN 0.257 nan 8.280 nan 0.000 0.513 384 L N 0.601 121.764 121.223 -0.101 0.000 2.131 384 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 384 L C 2.291 178.983 176.870 -0.296 0.000 1.092 384 L CA 1.161 55.817 54.840 -0.308 0.000 0.759 384 L CB -0.255 41.424 42.059 -0.634 0.000 0.903 384 L HN 0.292 nan 8.230 nan 0.000 0.435 385 E N -0.076 119.968 120.200 -0.260 0.000 2.208 385 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 385 E C 2.128 178.697 176.600 -0.052 0.000 0.988 385 E CA 0.770 57.087 56.400 -0.140 0.000 0.828 385 E CB 0.067 29.748 29.700 -0.031 0.000 0.763 385 E HN 0.498 nan 8.360 nan 0.000 0.478 386 L N 0.326 121.539 121.223 -0.018 0.000 2.477 386 L HA 0.065 4.404 4.340 -0.000 0.000 0.220 386 L C 0.277 177.169 176.870 0.036 0.000 1.106 386 L CA 0.015 54.864 54.840 0.015 0.000 0.851 386 L CB 0.093 42.180 42.059 0.047 0.000 0.994 386 L HN 0.035 nan 8.230 nan 0.000 0.462 387 S N -3.175 112.558 115.700 0.055 0.000 2.817 387 S HA -0.102 4.368 4.470 -0.000 0.000 0.856 387 S C 0.126 174.853 174.600 0.212 0.000 0.868 387 S CA -0.222 58.056 58.200 0.131 0.000 1.490 387 S CB -0.762 62.567 63.200 0.214 0.000 1.070 387 S HN -0.179 nan 8.310 nan 0.000 0.222 388 V N 2.478 122.459 119.914 0.111 0.000 2.278 388 V HA 0.385 4.505 4.120 -0.000 0.000 0.238 388 V C 1.460 177.571 176.094 0.028 0.000 1.039 388 V CA 1.782 64.090 62.300 0.014 0.000 1.017 388 V CB -0.401 31.309 31.823 -0.188 0.000 0.657 388 V HN 1.834 nan 8.190 nan 0.000 0.462 389 S N -1.710 113.834 115.700 -0.261 0.000 2.596 389 S HA 0.435 4.905 4.470 -0.000 0.000 0.270 389 S C 0.245 174.113 174.600 -1.219 0.000 1.155 389 S CA -0.485 57.371 58.200 -0.573 0.000 0.827 389 S CB 2.176 65.211 63.200 -0.276 0.000 1.130 389 S HN 0.198 nan 8.310 nan 0.000 0.467 390 R N 0.360 120.070 120.500 -1.316 0.000 2.096 390 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 390 R C 0.770 176.826 176.300 -0.406 0.000 1.127 390 R CA 2.115 57.673 56.100 -0.902 0.000 0.968 390 R CB -0.518 29.596 30.300 -0.310 0.000 0.861 390 R HN 0.751 nan 8.270 nan 0.000 0.440 391 D N -0.019 120.197 120.400 -0.306 0.000 2.144 391 D HA -0.192 4.448 4.640 -0.000 0.000 0.200 391 D C 1.523 177.715 176.300 -0.181 0.000 0.978 391 D CA 0.921 54.810 54.000 -0.185 0.000 0.833 391 D CB -0.463 40.251 40.800 -0.144 0.000 0.961 391 D HN 0.361 nan 8.370 nan 0.000 0.470 392 N N 1.055 119.615 118.700 -0.232 0.000 2.142 392 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 392 N C 1.676 177.099 175.510 -0.145 0.000 1.023 392 N CA 1.000 53.935 53.050 -0.192 0.000 0.852 392 N CB 0.195 38.549 38.487 -0.222 0.000 0.998 392 N HN -0.024 nan 8.380 nan 0.000 0.424 393 E N 1.252 121.352 120.200 -0.168 0.000 2.051 393 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 393 E C 1.799 178.390 176.600 -0.014 0.000 0.991 393 E CA 1.241 57.613 56.400 -0.047 0.000 0.799 393 E CB -0.304 29.414 29.700 0.031 0.000 0.748 393 E HN 0.445 nan 8.360 nan 0.000 0.449 394 E N -0.188 119.983 120.200 -0.048 0.000 2.153 394 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 394 E C 2.118 178.705 176.600 -0.022 0.000 0.988 394 E CA 0.748 57.137 56.400 -0.017 0.000 0.811 394 E CB -0.132 29.548 29.700 -0.033 0.000 0.746 394 E HN 0.329 nan 8.360 nan 0.000 0.466 395 L N 0.793 121.987 121.223 -0.049 0.000 2.027 395 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 395 L C 2.579 179.422 176.870 -0.045 0.000 1.074 395 L CA 1.203 56.013 54.840 -0.050 0.000 0.745 395 L CB -0.321 41.697 42.059 -0.069 0.000 0.898 395 L HN 0.311 nan 8.230 nan 0.000 0.433 396 L N -2.564 118.634 121.223 -0.042 0.000 2.201 396 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 396 L C 2.448 179.288 176.870 -0.050 0.000 1.105 396 L CA 1.360 56.171 54.840 -0.047 0.000 0.775 396 L CB -1.564 40.480 42.059 -0.025 0.000 0.913 396 L HN 0.138 nan 8.230 nan 0.000 0.440 397 C N 0.205 119.526 119.300 0.034 0.000 2.473 397 C HA -0.128 4.332 4.460 -0.000 0.000 0.279 397 C C 2.917 177.893 174.990 -0.024 0.000 1.250 397 C CA 1.300 60.377 59.018 0.098 0.000 1.713 397 C CB -0.789 27.046 27.740 0.159 0.000 2.066 397 C HN 0.680 nan 8.230 nan 0.000 0.474 398 K N 0.967 121.357 120.400 -0.018 0.000 2.063 398 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 398 K C 2.066 178.624 176.600 -0.070 0.000 1.048 398 K CA 1.738 58.005 56.287 -0.034 0.000 0.928 398 K CB -0.327 32.159 32.500 -0.023 0.000 0.713 398 K HN 0.425 nan 8.250 nan 0.000 0.442 399 A N 0.430 123.199 122.820 -0.086 0.000 1.940 399 A HA -0.117 4.202 4.320 -0.000 0.000 0.219 399 A C 2.211 179.706 177.584 -0.148 0.000 1.176 399 A CA 1.680 53.659 52.037 -0.097 0.000 0.631 399 A CB -0.529 18.418 19.000 -0.088 0.000 0.814 399 A HN 0.187 nan 8.150 nan 0.000 0.446 400 V N -0.017 119.745 119.914 -0.253 0.000 2.255 400 V HA -0.222 3.898 4.120 -0.000 0.000 0.243 400 V C 2.571 178.504 176.094 -0.269 0.000 1.038 400 V CA 2.044 64.110 62.300 -0.390 0.000 1.008 400 V CB -0.790 30.470 31.823 -0.939 0.000 0.645 400 V HN 0.523 nan 8.190 nan 0.000 0.449 401 R N -0.120 120.260 120.500 -0.200 0.000 2.159 401 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 401 R C 2.201 178.464 176.300 -0.063 0.000 1.131 401 R CA 1.216 57.265 56.100 -0.085 0.000 0.982 401 R CB -0.268 30.023 30.300 -0.016 0.000 0.868 401 R HN 0.547 nan 8.270 nan 0.000 0.453 402 E N 0.571 120.731 120.200 -0.067 0.000 2.076 402 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 402 E C 2.051 178.623 176.600 -0.047 0.000 0.979 402 E CA 1.023 57.396 56.400 -0.045 0.000 0.807 402 E CB -0.130 29.546 29.700 -0.040 0.000 0.761 402 E HN 0.298 nan 8.360 nan 0.000 0.454 403 A N 1.046 123.826 122.820 -0.066 0.000 1.908 403 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 403 A C 2.634 180.187 177.584 -0.053 0.000 1.181 403 A CA 1.553 53.558 52.037 -0.053 0.000 0.627 403 A CB -0.977 17.984 19.000 -0.065 0.000 0.818 403 A HN 0.333 nan 8.150 nan 0.000 0.445 404 C N -0.608 118.645 119.300 -0.077 0.000 2.436 404 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 404 C C 2.742 177.707 174.990 -0.042 0.000 1.241 404 C CA 1.305 60.274 59.018 -0.082 0.000 1.721 404 C CB -1.105 26.587 27.740 -0.080 0.000 2.043 404 C HN 0.637 nan 8.230 nan 0.000 0.472 405 K N 0.806 121.190 120.400 -0.027 0.000 2.009 405 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 405 K C 2.352 178.954 176.600 0.004 0.000 1.049 405 K CA 1.819 58.102 56.287 -0.007 0.000 0.929 405 K CB -0.550 31.946 32.500 -0.007 0.000 0.714 405 K HN 0.422 nan 8.250 nan 0.000 0.440 406 S N 0.638 116.336 115.700 -0.004 0.000 2.359 406 S HA -0.231 4.238 4.470 -0.000 0.000 0.223 406 S C 2.133 176.738 174.600 0.008 0.000 1.039 406 S CA 1.502 59.703 58.200 0.000 0.000 1.042 406 S CB -0.373 62.823 63.200 -0.007 0.000 0.915 406 S HN 0.397 nan 8.310 nan 0.000 0.439 407 A N 1.488 124.312 122.820 0.007 0.000 1.873 407 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 407 A C 2.191 179.830 177.584 0.092 0.000 1.193 407 A CA 1.834 53.884 52.037 0.023 0.000 0.629 407 A CB -1.067 17.940 19.000 0.012 0.000 0.826 407 A HN 0.601 nan 8.150 nan 0.000 0.447 408 L N -0.876 120.426 121.223 0.133 0.000 2.447 408 L HA -0.179 4.161 4.340 -0.000 0.000 0.225 408 L C 2.787 179.797 176.870 0.232 0.000 1.148 408 L CA 0.686 55.668 54.840 0.236 0.000 0.808 408 L CB -0.380 41.724 42.059 0.076 0.000 0.928 408 L HN 0.477 nan 8.230 nan 0.000 0.448 409 A N -0.112 122.778 122.820 0.116 0.000 1.975 409 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 409 A C 2.326 179.948 177.584 0.063 0.000 1.170 409 A CA 0.958 53.043 52.037 0.080 0.000 0.656 409 A CB -0.734 18.289 19.000 0.038 0.000 0.821 409 A HN 0.380 nan 8.150 nan 0.000 0.449 410 G N -1.484 107.308 108.800 -0.013 0.000 2.625 410 G HA2 0.064 4.024 3.960 -0.000 0.000 0.214 410 G HA3 0.064 4.024 3.960 -0.000 0.000 0.214 410 G C 0.353 175.176 174.900 -0.127 0.000 1.132 410 G CA 0.174 45.211 45.100 -0.105 0.000 0.782 410 G HN 0.478 nan 8.290 nan 0.000 0.538 411 Y N 0.118 120.448 120.300 0.051 0.000 2.301 411 Y HA 0.265 4.815 4.550 -0.000 0.000 0.325 411 Y C 1.660 177.600 175.900 0.068 0.000 1.203 411 Y CA -0.658 57.474 58.100 0.053 0.000 1.255 411 Y CB 0.879 39.331 38.460 -0.014 0.000 1.232 411 Y HN 0.309 nan 8.280 nan 0.000 0.501 412 H N -0.466 118.703 119.070 0.166 0.000 2.517 412 H HA 0.235 4.791 4.556 -0.000 0.000 0.282 412 H C -0.632 174.745 175.328 0.081 0.000 1.023 412 H CA 0.410 56.515 56.048 0.096 0.000 1.169 412 H CB -0.165 29.636 29.762 0.065 0.000 1.454 412 H HN 0.578 nan 8.280 nan 0.000 0.556 413 T N -1.237 113.206 114.554 -0.185 0.000 2.894 413 T HA 0.390 4.740 4.350 -0.000 0.000 0.309 413 T C -0.070 174.570 174.700 -0.100 0.000 1.208 413 T CA -0.571 61.435 62.100 -0.157 0.000 1.016 413 T CB 2.265 70.974 68.868 -0.264 0.000 1.192 413 T HN 0.265 nan 8.240 nan 0.000 0.491 414 T N -0.124 114.387 114.554 -0.071 0.000 2.874 414 T HA 0.527 4.877 4.350 -0.000 0.000 0.281 414 T C 1.670 176.313 174.700 -0.095 0.000 0.994 414 T CA -1.078 60.980 62.100 -0.071 0.000 1.015 414 T CB 0.455 69.298 68.868 -0.041 0.000 1.028 414 T HN 0.589 nan 8.240 nan 0.000 0.523 415 I N 0.545 121.051 120.570 -0.106 0.000 2.208 415 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 415 I C 2.493 178.564 176.117 -0.076 0.000 1.097 415 I CA 1.561 62.793 61.300 -0.113 0.000 1.363 415 I CB -0.499 37.432 38.000 -0.114 0.000 1.051 415 I HN 0.711 nan 8.210 nan 0.000 0.413 416 E N 0.606 120.773 120.200 -0.054 0.000 2.209 416 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 416 E C 2.102 178.682 176.600 -0.032 0.000 0.993 416 E CA 1.067 57.446 56.400 -0.036 0.000 0.819 416 E CB -0.168 29.517 29.700 -0.024 0.000 0.745 416 E HN 0.567 nan 8.360 nan 0.000 0.477 417 Q N -0.080 119.696 119.800 -0.040 0.000 2.163 417 Q HA -0.067 4.273 4.340 -0.000 0.000 0.198 417 Q C 1.336 177.314 176.000 -0.037 0.000 0.954 417 Q CA 0.842 56.626 55.803 -0.033 0.000 0.851 417 Q CB 0.236 28.953 28.738 -0.036 0.000 0.928 417 Q HN 0.279 nan 8.270 nan 0.000 0.459 418 D N 0.932 121.299 120.400 -0.056 0.000 2.097 418 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 418 D C 1.834 178.115 176.300 -0.032 0.000 0.984 418 D CA 1.046 55.015 54.000 -0.052 0.000 0.826 418 D CB -0.028 40.723 40.800 -0.081 0.000 0.973 418 D HN 0.160 nan 8.370 nan 0.000 0.460 419 R N 0.736 121.215 120.500 -0.035 0.000 2.120 419 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 419 R C 2.201 178.495 176.300 -0.010 0.000 1.123 419 R CA 0.721 56.809 56.100 -0.021 0.000 0.975 419 R CB -0.066 30.220 30.300 -0.023 0.000 0.866 419 R HN 0.289 nan 8.270 nan 0.000 0.446 420 E N 0.860 121.054 120.200 -0.012 0.000 2.072 420 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 420 E C 2.025 178.624 176.600 -0.001 0.000 0.982 420 E CA 0.658 57.055 56.400 -0.005 0.000 0.803 420 E CB 0.072 29.768 29.700 -0.005 0.000 0.755 420 E HN 0.279 nan 8.360 nan 0.000 0.453 421 L N 0.864 122.085 121.223 -0.003 0.000 2.042 421 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 421 L C 2.434 179.308 176.870 0.007 0.000 1.076 421 L CA 1.365 56.207 54.840 0.003 0.000 0.749 421 L CB -0.224 41.836 42.059 0.003 0.000 0.893 421 L HN 0.071 nan 8.230 nan 0.000 0.432 422 K N -0.524 119.880 120.400 0.007 0.000 2.211 422 K HA -0.202 4.117 4.320 -0.000 0.000 0.203 422 K C 1.820 178.427 176.600 0.011 0.000 1.050 422 K CA 0.893 57.187 56.287 0.013 0.000 0.945 422 K CB -0.067 32.441 32.500 0.014 0.000 0.732 422 K HN 0.104 nan 8.250 nan 0.000 0.451 423 E N 0.719 120.923 120.200 0.007 0.000 2.401 423 E HA -0.051 4.299 4.350 -0.000 0.000 0.199 423 E C 0.765 177.369 176.600 0.007 0.000 1.023 423 E CA 0.491 56.895 56.400 0.007 0.000 0.859 423 E CB -0.013 29.689 29.700 0.005 0.000 0.780 423 E HN 0.371 nan 8.360 nan 0.000 0.523 424 G N -0.898 107.906 108.800 0.007 0.000 2.828 424 G HA2 0.214 4.174 3.960 -0.000 0.000 0.244 424 G HA3 0.214 4.174 3.960 -0.000 0.000 0.244 424 G C -0.523 174.382 174.900 0.008 0.000 1.365 424 G CA -0.701 44.403 45.100 0.007 0.000 1.041 424 G HN -0.023 nan 8.290 nan 0.000 0.560 425 N N 0.735 119.439 118.700 0.007 0.000 2.589 425 N HA 0.337 5.077 4.740 -0.000 0.000 0.232 425 N C -0.847 174.667 175.510 0.006 0.000 1.015 425 N CA -0.308 52.747 53.050 0.007 0.000 0.931 425 N CB 1.407 39.898 38.487 0.005 0.000 1.150 425 N HN 0.028 nan 8.380 nan 0.000 0.512 426 L N 1.469 122.698 121.223 0.010 0.000 2.379 426 L HA 0.298 4.638 4.340 -0.000 0.000 0.269 426 L C 1.056 177.928 176.870 0.005 0.000 1.084 426 L CA -0.503 54.341 54.840 0.007 0.000 0.802 426 L CB 0.720 42.789 42.059 0.016 0.000 1.175 426 L HN 0.469 nan 8.230 nan 0.000 0.448 427 D N 0.077 120.471 120.400 -0.010 0.000 2.348 427 D HA 0.142 4.782 4.640 -0.000 0.000 0.249 427 D C 0.577 176.871 176.300 -0.010 0.000 1.110 427 D CA -0.208 53.783 54.000 -0.015 0.000 0.967 427 D CB 1.181 41.959 40.800 -0.037 0.000 1.139 427 D HN 0.446 nan 8.370 nan 0.000 0.466 428 S N 1.496 117.200 115.700 0.006 0.000 2.432 428 S HA -0.322 4.148 4.470 -0.000 0.000 0.266 428 S C 1.843 176.467 174.600 0.039 0.000 1.076 428 S CA 1.794 60.020 58.200 0.043 0.000 1.320 428 S CB -0.512 62.719 63.200 0.051 0.000 1.222 428 S HN 0.597 nan 8.310 nan 0.000 0.439 429 R N 0.552 121.000 120.500 -0.085 0.000 2.073 429 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 429 R C 2.482 178.606 176.300 -0.294 0.000 1.134 429 R CA 1.384 57.295 56.100 -0.314 0.000 0.952 429 R CB -0.792 28.991 30.300 -0.861 0.000 0.850 429 R HN 0.352 nan 8.270 nan 0.000 0.433 430 L N 1.197 122.293 121.223 -0.212 0.000 2.079 430 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 430 L C 2.273 179.155 176.870 0.019 0.000 1.081 430 L CA 1.893 56.675 54.840 -0.096 0.000 0.752 430 L CB -0.670 41.350 42.059 -0.065 0.000 0.896 430 L HN 0.142 nan 8.230 nan 0.000 0.433 431 A N -0.189 122.653 122.820 0.037 0.000 1.902 431 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 431 A C 2.274 179.942 177.584 0.139 0.000 1.181 431 A CA 2.097 54.181 52.037 0.079 0.000 0.623 431 A CB -0.834 18.210 19.000 0.073 0.000 0.818 431 A HN 0.535 nan 8.150 nan 0.000 0.443 432 I N -0.353 120.344 120.570 0.212 0.000 2.202 432 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 432 I C 3.000 179.304 176.117 0.312 0.000 1.091 432 I CA 1.057 62.537 61.300 0.300 0.000 1.368 432 I CB -0.428 37.864 38.000 0.487 0.000 1.058 432 I HN 0.357 nan 8.210 nan 0.000 0.410 433 A N 0.486 123.551 122.820 0.408 0.000 1.908 433 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 433 A C 2.421 180.122 177.584 0.196 0.000 1.181 433 A CA 1.826 54.083 52.037 0.367 0.000 0.627 433 A CB -0.958 18.263 19.000 0.369 0.000 0.818 433 A HN 0.256 nan 8.150 nan 0.000 0.445 434 V N -0.264 119.732 119.914 0.136 0.000 2.427 434 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 434 V C 2.761 178.887 176.094 0.053 0.000 1.051 434 V CA 1.835 64.177 62.300 0.071 0.000 1.048 434 V CB -1.320 30.532 31.823 0.049 0.000 0.666 434 V HN 0.615 nan 8.190 nan 0.000 0.456 435 G N 0.119 108.975 108.800 0.093 0.000 2.414 435 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 435 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 435 G C 1.504 176.459 174.900 0.091 0.000 1.188 435 G CA 0.772 45.936 45.100 0.106 0.000 0.783 435 G HN 0.316 nan 8.290 nan 0.000 0.537 436 I N 2.241 122.877 120.570 0.110 0.000 2.069 436 I HA -0.248 3.922 4.170 -0.000 0.000 0.237 436 I C 3.012 179.126 176.117 -0.004 0.000 1.053 436 I CA 2.064 63.412 61.300 0.079 0.000 1.311 436 I CB -1.008 37.047 38.000 0.091 0.000 1.030 436 I HN 0.392 nan 8.210 nan 0.000 0.398 437 R N 1.177 121.692 120.500 0.026 0.000 2.152 437 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 437 R C 1.985 178.138 176.300 -0.244 0.000 1.117 437 R CA 1.707 57.788 56.100 -0.032 0.000 0.981 437 R CB -0.658 29.687 30.300 0.076 0.000 0.870 437 R HN 0.502 nan 8.270 nan 0.000 0.451 438 E N 0.876 120.949 120.200 -0.212 0.000 2.047 438 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 438 E C 2.037 178.380 176.600 -0.429 0.000 0.987 438 E CA 1.337 57.572 56.400 -0.275 0.000 0.799 438 E CB -0.304 29.286 29.700 -0.184 0.000 0.752 438 E HN 0.513 nan 8.360 nan 0.000 0.449 439 G N 1.124 109.551 108.800 -0.621 0.000 2.433 439 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 439 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 439 G C 1.385 175.968 174.900 -0.529 0.000 1.186 439 G CA 0.938 45.338 45.100 -1.167 0.000 0.779 439 G HN 0.333 nan 8.290 nan 0.000 0.543 440 E N 0.546 120.587 120.200 -0.265 0.000 2.058 440 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 440 E C 2.524 179.009 176.600 -0.192 0.000 0.997 440 E CA 1.025 57.402 56.400 -0.038 0.000 0.801 440 E CB -0.177 29.639 29.700 0.193 0.000 0.746 440 E HN 0.376 nan 8.360 nan 0.000 0.450 441 K N 0.245 120.395 120.400 -0.416 0.000 2.152 441 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 441 K C 2.191 178.640 176.600 -0.251 0.000 1.048 441 K CA 1.186 57.210 56.287 -0.439 0.000 0.933 441 K CB -0.117 32.054 32.500 -0.548 0.000 0.721 441 K HN 0.170 nan 8.250 nan 0.000 0.447 442 M N 0.138 119.584 119.600 -0.257 0.000 2.077 442 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 442 M C 2.262 178.571 176.300 0.015 0.000 1.070 442 M CA 1.406 56.603 55.300 -0.171 0.000 1.125 442 M CB -0.226 32.130 32.600 -0.406 0.000 1.339 442 M HN -0.053 nan 8.290 nan 0.000 0.409 443 V N 0.571 120.498 119.914 0.022 0.000 2.287 443 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 443 V C 2.337 178.447 176.094 0.027 0.000 1.053 443 V CA 1.496 63.885 62.300 0.147 0.000 1.027 443 V CB -0.636 31.283 31.823 0.160 0.000 0.646 443 V HN 0.351 nan 8.190 nan 0.000 0.447 444 L N -0.453 120.695 121.223 -0.125 0.000 2.043 444 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 444 L C 2.481 179.306 176.870 -0.074 0.000 1.075 444 L CA 1.893 56.612 54.840 -0.201 0.000 0.752 444 L CB -0.946 40.949 42.059 -0.272 0.000 0.891 444 L HN 0.389 nan 8.230 nan 0.000 0.432 445 Q N -1.603 118.173 119.800 -0.039 0.000 2.230 445 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 445 Q C 2.172 178.201 176.000 0.047 0.000 0.963 445 Q CA 1.230 57.034 55.803 0.001 0.000 0.866 445 Q CB 0.050 28.786 28.738 -0.004 0.000 0.931 445 Q HN 0.588 nan 8.270 nan 0.000 0.452 446 Q N 0.437 120.289 119.800 0.086 0.000 2.137 446 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 446 Q C 1.871 177.924 176.000 0.089 0.000 0.960 446 Q CA 0.876 56.734 55.803 0.092 0.000 0.847 446 Q CB 0.071 28.882 28.738 0.122 0.000 0.915 446 Q HN 0.378 nan 8.270 nan 0.000 0.448 447 I N 1.420 122.054 120.570 0.107 0.000 2.142 447 I HA -0.284 3.886 4.170 -0.000 0.000 0.240 447 I C 2.385 178.644 176.117 0.237 0.000 1.078 447 I CA 1.567 62.978 61.300 0.185 0.000 1.343 447 I CB -0.536 37.544 38.000 0.133 0.000 1.046 447 I HN 0.399 nan 8.210 nan 0.000 0.405 448 D N 1.087 121.559 120.400 0.121 0.000 2.182 448 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 448 D C 2.054 178.428 176.300 0.123 0.000 0.986 448 D CA 1.686 55.751 54.000 0.109 0.000 0.847 448 D CB 0.023 40.846 40.800 0.037 0.000 0.942 448 D HN 0.404 nan 8.370 nan 0.000 0.467 449 G N 0.676 109.530 108.800 0.090 0.000 2.408 449 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.215 449 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.215 449 G C 1.989 176.912 174.900 0.039 0.000 1.156 449 G CA 0.210 45.343 45.100 0.056 0.000 0.793 449 G HN 0.311 nan 8.290 nan 0.000 0.535 450 I N -0.159 120.432 120.570 0.035 0.000 2.163 450 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 450 I C 2.292 178.304 176.117 -0.175 0.000 1.085 450 I CA 1.104 62.351 61.300 -0.087 0.000 1.347 450 I CB -0.233 37.690 38.000 -0.129 0.000 1.044 450 I HN 0.080 nan 8.210 nan 0.000 0.408 451 F N 0.566 120.511 119.950 -0.008 0.000 2.558 451 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 451 F C 2.477 178.273 175.800 -0.006 0.000 1.119 451 F CA 0.937 58.931 58.000 -0.009 0.000 1.451 451 F CB -0.308 38.684 39.000 -0.012 0.000 1.091 451 F HN 0.119 nan 8.300 nan 0.000 0.563 452 E N -0.148 120.127 120.200 0.124 0.000 2.208 452 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 452 E C 2.093 178.712 176.600 0.031 0.000 0.988 452 E CA 0.633 57.076 56.400 0.072 0.000 0.828 452 E CB 0.098 29.829 29.700 0.053 0.000 0.763 452 E HN 0.286 nan 8.360 nan 0.000 0.478 453 Q N 0.867 120.667 119.800 -0.001 0.000 2.049 453 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 453 Q C 1.999 177.981 176.000 -0.030 0.000 0.971 453 Q CA 1.139 56.927 55.803 -0.024 0.000 0.833 453 Q CB -0.022 28.685 28.738 -0.052 0.000 0.896 453 Q HN 0.241 nan 8.270 nan 0.000 0.434 454 K N 0.673 121.039 120.400 -0.057 0.000 2.044 454 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 454 K C 1.940 178.550 176.600 0.017 0.000 1.049 454 K CA 1.564 57.824 56.287 -0.045 0.000 0.927 454 K CB -0.103 32.346 32.500 -0.086 0.000 0.713 454 K HN 0.294 nan 8.250 nan 0.000 0.443 455 E N 0.640 120.867 120.200 0.044 0.000 2.209 455 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 455 E C 1.991 178.611 176.600 0.033 0.000 0.993 455 E CA 0.845 57.274 56.400 0.049 0.000 0.819 455 E CB -0.076 29.657 29.700 0.054 0.000 0.745 455 E HN 0.295 nan 8.360 nan 0.000 0.477 456 L N 0.541 121.776 121.223 0.020 0.000 2.131 456 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 456 L C 1.466 178.342 176.870 0.011 0.000 1.087 456 L CA 0.925 55.773 54.840 0.013 0.000 0.767 456 L CB -0.067 41.995 42.059 0.004 0.000 0.917 456 L HN 0.047 nan 8.230 nan 0.000 0.441 457 E N 0.126 120.329 120.200 0.004 0.000 2.370 457 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 457 E C 1.385 177.997 176.600 0.019 0.000 1.057 457 E CA -0.247 56.152 56.400 -0.002 0.000 1.011 457 E CB 0.345 30.031 29.700 -0.024 0.000 1.132 457 E HN 0.189 nan 8.360 nan 0.000 0.450 458 L N 1.348 122.600 121.223 0.049 0.000 2.265 458 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 458 L C 1.272 178.234 176.870 0.152 0.000 1.117 458 L CA 1.746 56.651 54.840 0.108 0.000 0.782 458 L CB 0.022 42.136 42.059 0.092 0.000 0.914 458 L HN 0.124 nan 8.230 nan 0.000 0.441 459 D N -2.020 118.429 120.400 0.082 0.000 2.379 459 D HA -0.027 4.613 4.640 -0.000 0.000 0.208 459 D C 1.596 177.895 176.300 -0.003 0.000 1.065 459 D CA 0.155 54.202 54.000 0.077 0.000 0.848 459 D CB 0.331 41.166 40.800 0.057 0.000 0.949 459 D HN 0.492 nan 8.370 nan 0.000 0.509 460 Q N 0.281 120.061 119.800 -0.033 0.000 2.378 460 Q HA 0.104 4.444 4.340 -0.000 0.000 0.205 460 Q C 0.802 176.713 176.000 -0.148 0.000 0.954 460 Q CA 0.317 56.078 55.803 -0.071 0.000 0.901 460 Q CB 0.629 29.335 28.738 -0.053 0.000 0.981 460 Q HN 0.245 nan 8.270 nan 0.000 0.483 461 L N 1.295 122.367 121.223 -0.252 0.000 2.453 461 L HA 0.109 4.449 4.340 -0.000 0.000 0.261 461 L C 0.181 176.683 176.870 -0.613 0.000 1.179 461 L CA 0.033 54.593 54.840 -0.467 0.000 0.813 461 L CB 0.688 42.335 42.059 -0.687 0.000 1.110 461 L HN 0.063 nan 8.230 nan 0.000 0.466 462 E N 2.090 122.001 120.200 -0.481 0.000 2.173 462 E HA 0.236 4.586 4.350 -0.000 0.000 0.249 462 E C -1.195 175.236 176.600 -0.281 0.000 0.923 462 E CA -0.288 55.923 56.400 -0.314 0.000 0.754 462 E CB 0.665 30.276 29.700 -0.147 0.000 1.177 462 E HN 0.325 nan 8.360 nan 0.000 0.430 463 Y N 0.188 120.509 120.300 0.034 0.000 2.220 463 Y HA -0.112 4.438 4.550 -0.000 0.000 0.347 463 Y C 1.781 177.746 175.900 0.108 0.000 1.311 463 Y CA -0.391 57.749 58.100 0.067 0.000 1.593 463 Y CB 0.130 38.625 38.460 0.058 0.000 1.419 463 Y HN 0.501 nan 8.280 nan 0.000 0.614 464 Y N 0.730 121.154 120.300 0.207 0.000 2.029 464 Y HA -0.439 4.111 4.550 -0.000 0.000 0.269 464 Y C 2.367 178.338 175.900 0.118 0.000 1.201 464 Y CA 2.405 60.584 58.100 0.131 0.000 1.115 464 Y CB -0.311 38.183 38.460 0.056 0.000 0.945 464 Y HN 0.572 nan 8.280 nan 0.000 0.497 465 Q N 0.372 120.282 119.800 0.183 0.000 1.985 465 Q HA -0.291 4.049 4.340 -0.000 0.000 0.207 465 Q C 2.319 178.290 176.000 -0.048 0.000 0.996 465 Q CA 2.138 57.962 55.803 0.035 0.000 0.851 465 Q CB -0.976 27.838 28.738 0.126 0.000 0.921 465 Q HN 0.703 nan 8.270 nan 0.000 0.418 466 E N 0.243 120.454 120.200 0.018 0.000 2.136 466 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 466 E C 1.970 178.541 176.600 -0.048 0.000 1.019 466 E CA 1.232 57.625 56.400 -0.010 0.000 0.819 466 E CB 0.033 29.732 29.700 -0.003 0.000 0.739 466 E HN 0.234 nan 8.360 nan 0.000 0.458 467 R N -0.211 120.251 120.500 -0.065 0.000 2.193 467 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 467 R C 2.353 178.587 176.300 -0.110 0.000 1.110 467 R CA 0.688 56.746 56.100 -0.070 0.000 0.988 467 R CB -0.120 30.163 30.300 -0.028 0.000 0.871 467 R HN 0.159 nan 8.270 nan 0.000 0.458 468 R N 0.519 120.908 120.500 -0.185 0.000 2.062 468 R HA 0.030 4.370 4.340 -0.000 0.000 0.229 468 R C 2.001 178.253 176.300 -0.080 0.000 1.128 468 R CA 0.926 56.927 56.100 -0.165 0.000 0.960 468 R CB -0.116 30.058 30.300 -0.211 0.000 0.855 468 R HN 0.186 nan 8.270 nan 0.000 0.432 469 L N 1.265 122.449 121.223 -0.064 0.000 2.610 469 L HA -0.006 4.334 4.340 -0.000 0.000 0.232 469 L C 1.822 178.675 176.870 -0.029 0.000 1.149 469 L CA 0.282 55.100 54.840 -0.037 0.000 0.872 469 L CB -0.216 41.827 42.059 -0.027 0.000 0.992 469 L HN 0.046 nan 8.230 nan 0.000 0.447 470 K N 0.866 121.246 120.400 -0.033 0.000 2.152 470 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 470 K C 0.294 176.884 176.600 -0.018 0.000 1.048 470 K CA 0.939 57.211 56.287 -0.025 0.000 0.933 470 K CB -0.197 32.288 32.500 -0.025 0.000 0.721 470 K HN 0.499 nan 8.250 nan 0.000 0.447 471 D N 0.516 120.906 120.400 -0.018 0.000 2.477 471 D HA 0.129 4.769 4.640 -0.000 0.000 0.239 471 D C 0.668 176.962 176.300 -0.011 0.000 1.102 471 D CA -0.185 53.808 54.000 -0.012 0.000 0.901 471 D CB 1.164 41.959 40.800 -0.008 0.000 1.026 471 D HN -0.026 nan 8.370 nan 0.000 0.515 472 L N 0.788 122.006 121.223 -0.009 0.000 2.766 472 L HA 0.209 4.549 4.340 -0.000 0.000 0.241 472 L C 1.392 178.260 176.870 -0.004 0.000 1.080 472 L CA 0.393 55.228 54.840 -0.008 0.000 0.909 472 L CB 0.398 42.451 42.059 -0.009 0.000 1.277 472 L HN 0.662 nan 8.230 nan 0.000 0.510 473 G N 1.028 109.826 108.800 -0.003 0.000 2.273 473 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 473 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 473 G C 0.815 175.715 174.900 -0.001 0.000 1.047 473 G CA 0.605 45.705 45.100 -0.001 0.000 0.869 473 G HN 0.311 nan 8.290 nan 0.000 0.502 474 L N -1.435 119.787 121.223 -0.003 0.000 2.042 474 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 474 L C 1.905 178.774 176.870 -0.002 0.000 1.076 474 L CA 1.344 56.182 54.840 -0.003 0.000 0.749 474 L CB -0.422 41.634 42.059 -0.004 0.000 0.893 474 L HN 0.464 nan 8.230 nan 0.000 0.432 475 C N 1.236 120.535 119.300 -0.002 0.000 2.225 475 C HA 0.479 4.939 4.460 -0.000 0.000 0.437 475 C C 1.358 176.348 174.990 -0.001 0.000 1.039 475 C CA -0.754 58.263 59.018 -0.002 0.000 1.406 475 C CB -1.223 26.515 27.740 -0.003 0.000 1.548 475 C HN 0.495 nan 8.230 nan 0.000 0.515 476 G N 1.891 110.691 108.800 0.001 0.000 3.374 476 G HA2 0.489 4.449 3.960 -0.000 0.000 0.200 476 G HA3 0.489 4.449 3.960 -0.000 0.000 0.200 476 G C -0.203 174.699 174.900 0.003 0.000 1.801 476 G CA -0.140 44.962 45.100 0.003 0.000 0.842 476 G HN 0.639 nan 8.290 nan 0.000 0.688 477 E N -0.281 119.922 120.200 0.005 0.000 2.339 477 E HA 0.362 4.712 4.350 -0.000 0.000 0.262 477 E C -1.087 175.514 176.600 0.002 0.000 0.934 477 E CA -1.018 55.384 56.400 0.003 0.000 0.802 477 E CB 1.413 31.117 29.700 0.006 0.000 1.275 477 E HN 0.149 nan 8.360 nan 0.000 0.427 478 N N 0.617 119.316 118.700 -0.003 0.000 2.671 478 N HA 0.061 4.800 4.740 -0.000 0.000 0.274 478 N C 0.933 176.441 175.510 -0.003 0.000 1.188 478 N CA 0.343 53.389 53.050 -0.005 0.000 1.065 478 N CB 0.153 38.634 38.487 -0.010 0.000 1.415 478 N HN 0.751 nan 8.380 nan 0.000 0.511 479 G N 1.962 110.765 108.800 0.005 0.000 2.562 479 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.223 479 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.223 479 G C 1.125 176.032 174.900 0.012 0.000 1.102 479 G CA 0.641 45.752 45.100 0.018 0.000 0.742 479 G HN 0.496 nan 8.290 nan 0.000 0.587 480 D N 0.807 121.203 120.400 -0.007 0.000 2.081 480 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 480 D C 2.664 178.952 176.300 -0.019 0.000 0.986 480 D CA 0.877 54.866 54.000 -0.018 0.000 0.837 480 D CB -0.406 40.380 40.800 -0.023 0.000 0.985 480 D HN 0.342 nan 8.370 nan 0.000 0.448 481 I N 1.139 121.695 120.570 -0.023 0.000 2.229 481 I HA -0.289 3.881 4.170 -0.000 0.000 0.250 481 I C 2.650 178.734 176.117 -0.056 0.000 1.096 481 I CA 0.809 62.089 61.300 -0.033 0.000 1.358 481 I CB -0.264 37.718 38.000 -0.031 0.000 1.047 481 I HN 0.059 nan 8.210 nan 0.000 0.422 482 L N 0.586 121.773 121.223 -0.059 0.000 2.023 482 L HA -0.174 4.166 4.340 -0.000 0.000 0.205 482 L C 1.951 178.725 176.870 -0.160 0.000 1.073 482 L CA 1.655 56.416 54.840 -0.131 0.000 0.745 482 L CB -0.173 41.842 42.059 -0.073 0.000 0.900 482 L HN 0.237 nan 8.230 nan 0.000 0.435 483 E N -0.581 119.644 120.200 0.042 0.000 2.416 483 E HA -0.096 4.254 4.350 -0.000 0.000 0.189 483 E C 0.875 177.536 176.600 0.103 0.000 1.091 483 E CA -0.074 56.467 56.400 0.235 0.000 0.889 483 E CB -0.110 29.712 29.700 0.204 0.000 1.015 483 E HN 0.520 nan 8.360 nan 0.000 0.479 484 N N 0.145 118.862 118.700 0.029 0.000 2.368 484 N HA 0.066 4.805 4.740 -0.000 0.000 0.178 484 N C 1.254 176.795 175.510 0.052 0.000 1.076 484 N CA 0.074 53.136 53.050 0.021 0.000 0.889 484 N CB 0.448 38.930 38.487 -0.009 0.000 1.040 484 N HN 0.148 nan 8.380 nan 0.000 0.463 485 L N -0.031 121.203 121.223 0.018 0.000 2.616 485 L HA 0.121 4.460 4.340 -0.000 0.000 0.229 485 L C 1.272 178.187 176.870 0.076 0.000 1.110 485 L CA -0.104 54.742 54.840 0.009 0.000 0.884 485 L CB -0.089 41.928 42.059 -0.071 0.000 1.115 485 L HN 0.128 nan 8.230 nan 0.000 0.481 486 Y N 0.534 120.922 120.300 0.147 0.000 2.117 486 Y HA -0.042 4.508 4.550 -0.000 0.000 0.277 486 Y C 1.214 177.238 175.900 0.207 0.000 1.104 486 Y CA 0.232 58.444 58.100 0.187 0.000 1.089 486 Y CB -0.608 38.037 38.460 0.308 0.000 0.999 486 Y HN -0.149 nan 8.280 nan 0.000 0.480 487 F N 1.789 121.860 119.950 0.200 0.000 2.626 487 F HA -0.055 4.471 4.527 -0.000 0.000 0.354 487 F C 1.090 176.930 175.800 0.067 0.000 1.168 487 F CA -0.525 57.533 58.000 0.097 0.000 1.368 487 F CB -0.119 38.923 39.000 0.070 0.000 1.092 487 F HN 0.166 nan 8.300 nan 0.000 0.612 488 Q N 0.000 119.885 119.800 0.141 0.000 2.315 488 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 488 Q CA 0.000 55.856 55.803 0.088 0.000 1.022 488 Q CB 0.000 28.767 28.738 0.048 0.000 1.108 488 Q HN 0.000 nan 8.270 nan 0.000 0.481