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 3hbv_1_P DATA FIRST_RESID 61 DATA SEQUENCE NVSWNGTNVF GKSANLTFKF LQSVSSIPSG DTGFVKFNAE QIEQAKLSLQ DATA SEQUENCE SWSDVANLTF TEVTGNKSAN ITFGNYTRDA SGNLDYGTQA YAYYPGNYQG DATA SEQUENCE AGSSWYNYNQ SNIRNPGSEE YGRQTFTHEI GHALGLAHXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXYNG HYGGAPMIDD IAAIQRLYGA DATA SEQUENCE NMTTRTGDSV YGFNSNTDRD FYTATDSSKA LIFSVWDAGG TDTFDFSGYS DATA SEQUENCE NNQRINLNEG SFSDVGGLKG NVSIAHGVTI ENAIGGSGND ILVGNSADNI DATA SEQUENCE LQGGAGNDVL YGGAGADTLY GGAGRDTFVY GSGQDSTVAA YDWIADFQKG DATA SEQUENCE IDKIDLSAFR NEGQLSFVQD QFTGKGQEVM LQWDAANSIT NLWLHEAGHS DATA SEQUENCE SVDFLVRIVG QAAQSDIIV 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 61 N HA 0.000 nan 4.740 nan 0.000 0.220 61 N C 0.000 175.397 175.510 -0.188 0.000 1.280 61 N CA 0.000 53.008 53.050 -0.070 0.000 0.885 61 N CB 0.000 38.550 38.487 0.105 0.000 1.341 62 V N 1.500 121.283 119.914 -0.218 0.000 2.546 62 V HA 0.746 4.866 4.120 -0.000 0.000 0.284 62 V C 0.322 176.269 176.094 -0.244 0.000 1.050 62 V CA 0.211 62.369 62.300 -0.237 0.000 0.981 62 V CB 1.322 33.000 31.823 -0.241 0.000 0.990 62 V HN 0.645 nan 8.190 nan 0.000 0.474 63 S N 4.492 120.041 115.700 -0.251 0.000 2.732 63 S HA 0.412 4.882 4.470 -0.000 0.000 0.293 63 S C -0.060 174.460 174.600 -0.133 0.000 1.159 63 S CA -0.712 57.365 58.200 -0.206 0.000 0.847 63 S CB 0.973 63.943 63.200 -0.383 0.000 1.169 63 S HN 0.673 nan 8.310 nan 0.000 0.501 64 W N 0.952 122.357 121.300 0.174 0.000 2.611 64 W HA 0.149 4.808 4.660 -0.000 0.000 0.251 64 W C 1.566 178.127 176.519 0.070 0.000 1.265 64 W CA 0.186 57.608 57.345 0.129 0.000 1.295 64 W CB -0.125 29.424 29.460 0.148 0.000 1.129 64 W HN 0.611 nan 8.180 nan 0.000 0.630 65 N N -0.545 118.277 118.700 0.204 0.000 2.280 65 N HA 0.212 4.952 4.740 -0.000 0.000 0.192 65 N C 0.836 176.343 175.510 -0.005 0.000 1.109 65 N CA 1.242 54.348 53.050 0.094 0.000 0.855 65 N CB 0.677 39.194 38.487 0.050 0.000 0.974 65 N HN 0.158 nan 8.380 nan 0.000 0.482 66 G N 0.049 108.819 108.800 -0.052 0.000 2.298 66 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.309 66 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.309 66 G C -0.856 173.943 174.900 -0.167 0.000 1.279 66 G CA -0.363 44.682 45.100 -0.092 0.000 1.042 66 G HN 0.183 nan 8.290 nan 0.000 0.480 67 T N -2.225 112.228 114.554 -0.167 0.000 2.829 67 T HA 0.586 4.936 4.350 -0.000 0.000 0.282 67 T C 0.519 175.048 174.700 -0.286 0.000 0.990 67 T CA 0.582 62.559 62.100 -0.206 0.000 1.028 67 T CB 1.144 69.930 68.868 -0.138 0.000 0.951 67 T HN 1.620 nan 8.240 nan 0.000 0.460 68 N N -0.161 118.283 118.700 -0.427 0.000 2.721 68 N HA -0.122 4.618 4.740 -0.000 0.000 0.249 68 N C -0.757 174.224 175.510 -0.882 0.000 1.072 68 N CA 0.270 52.913 53.050 -0.678 0.000 0.710 68 N CB -1.169 37.198 38.487 -0.201 0.000 0.993 68 N HN 0.549 nan 8.380 nan 0.000 0.547 69 V N 1.422 120.818 119.914 -0.863 0.000 2.328 69 V HA 0.480 4.600 4.120 -0.000 0.000 0.278 69 V C -0.009 175.683 176.094 -0.670 0.000 1.021 69 V CA -0.285 61.673 62.300 -0.570 0.000 0.838 69 V CB 0.282 31.930 31.823 -0.292 0.000 0.999 69 V HN 0.119 nan 8.190 nan 0.000 0.447 70 F N 1.639 121.545 119.950 -0.073 0.000 2.522 70 F HA 0.692 5.219 4.527 -0.000 0.000 0.324 70 F C 1.190 176.960 175.800 -0.050 0.000 1.077 70 F CA -0.209 57.743 58.000 -0.081 0.000 0.944 70 F CB 2.031 40.996 39.000 -0.058 0.000 1.175 70 F HN 0.659 nan 8.300 nan 0.000 0.468 71 G N 1.957 110.847 108.800 0.151 0.000 2.198 71 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.260 71 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.260 71 G C -0.273 174.679 174.900 0.086 0.000 1.025 71 G CA 0.024 45.188 45.100 0.107 0.000 0.769 71 G HN 0.622 nan 8.290 nan 0.000 0.507 72 K N 0.822 121.260 120.400 0.064 0.000 2.358 72 K HA 0.567 4.887 4.320 -0.000 0.000 0.260 72 K C 1.060 177.762 176.600 0.170 0.000 0.956 72 K CA -0.017 56.320 56.287 0.082 0.000 0.834 72 K CB 0.906 33.431 32.500 0.041 0.000 1.102 72 K HN 0.396 nan 8.250 nan 0.000 0.431 73 S N 2.354 118.144 115.700 0.151 0.000 2.580 73 S HA 0.491 4.961 4.470 -0.000 0.000 0.266 73 S C -0.101 174.593 174.600 0.156 0.000 1.354 73 S CA -0.639 57.656 58.200 0.158 0.000 1.008 73 S CB 1.221 64.463 63.200 0.071 0.000 0.898 73 S HN 0.656 nan 8.310 nan 0.000 0.555 74 A N 1.268 124.113 122.820 0.041 0.000 2.486 74 A HA 0.645 4.965 4.320 -0.000 0.000 0.300 74 A C -0.973 176.502 177.584 -0.181 0.000 1.048 74 A CA -1.106 50.910 52.037 -0.036 0.000 0.696 74 A CB 0.911 19.911 19.000 0.000 0.000 1.278 74 A HN 0.889 nan 8.150 nan 0.000 0.405 75 N N 1.147 119.758 118.700 -0.147 0.000 2.469 75 N HA 0.587 5.327 4.740 -0.000 0.000 0.253 75 N C -1.073 174.310 175.510 -0.212 0.000 0.970 75 N CA -0.221 52.722 53.050 -0.178 0.000 0.940 75 N CB 1.294 39.719 38.487 -0.103 0.000 1.128 75 N HN 0.554 nan 8.380 nan 0.000 0.503 76 L N 1.101 122.161 121.223 -0.271 0.000 2.333 76 L HA 0.615 4.955 4.340 -0.000 0.000 0.269 76 L C 0.439 177.269 176.870 -0.067 0.000 1.010 76 L CA -0.969 53.714 54.840 -0.261 0.000 0.818 76 L CB 1.938 43.797 42.059 -0.335 0.000 1.306 76 L HN 0.461 nan 8.230 nan 0.000 0.430 77 T N -1.225 113.260 114.554 -0.115 0.000 2.925 77 T HA 0.753 5.102 4.350 -0.000 0.000 0.285 77 T C -0.639 174.076 174.700 0.025 0.000 1.021 77 T CA -0.579 61.489 62.100 -0.053 0.000 1.042 77 T CB 1.594 70.369 68.868 -0.155 0.000 1.037 77 T HN 0.408 nan 8.240 nan 0.000 0.481 78 F N -1.117 118.756 119.950 -0.129 0.000 2.613 78 F HA 0.889 5.416 4.527 -0.000 0.000 0.314 78 F C -0.843 174.801 175.800 -0.261 0.000 1.075 78 F CA -1.315 56.559 58.000 -0.209 0.000 0.945 78 F CB 2.108 41.005 39.000 -0.172 0.000 1.310 78 F HN 0.845 nan 8.300 nan 0.000 0.467 79 K N 2.165 122.406 120.400 -0.264 0.000 2.543 79 K HA 0.489 4.809 4.320 -0.000 0.000 0.255 79 K C -2.302 174.098 176.600 -0.334 0.000 0.934 79 K CA -0.635 55.451 56.287 -0.336 0.000 0.810 79 K CB 1.654 34.025 32.500 -0.216 0.000 1.315 79 K HN 0.714 nan 8.250 nan 0.000 0.433 80 F N 5.052 125.010 119.950 0.014 0.000 2.375 80 F HA 0.297 4.823 4.527 -0.000 0.000 0.362 80 F C 0.361 176.166 175.800 0.008 0.000 1.129 80 F CA -0.786 57.195 58.000 -0.032 0.000 1.154 80 F CB 0.586 39.569 39.000 -0.027 0.000 1.205 80 F HN 0.193 nan 8.300 nan 0.000 0.513 81 L N 4.282 125.590 121.223 0.142 0.000 2.490 81 L HA -0.002 4.338 4.340 -0.000 0.000 0.274 81 L C 1.181 178.257 176.870 0.343 0.000 1.201 81 L CA -0.007 54.929 54.840 0.160 0.000 0.869 81 L CB 0.544 42.664 42.059 0.101 0.000 1.123 81 L HN 0.621 nan 8.230 nan 0.000 0.484 82 Q N 1.309 121.239 119.800 0.217 0.000 2.378 82 Q HA 0.138 4.478 4.340 -0.000 0.000 0.216 82 Q C 0.214 176.383 176.000 0.282 0.000 0.892 82 Q CA 0.290 56.253 55.803 0.266 0.000 0.931 82 Q CB 0.974 29.799 28.738 0.146 0.000 1.086 82 Q HN 0.837 nan 8.270 nan 0.000 0.528 83 S N -0.969 114.728 115.700 -0.005 0.000 2.611 83 S HA 0.686 5.156 4.470 -0.000 0.000 0.268 83 S C -0.745 173.545 174.600 -0.516 0.000 1.156 83 S CA -0.544 57.516 58.200 -0.234 0.000 0.817 83 S CB 1.703 64.876 63.200 -0.045 0.000 1.122 83 S HN 0.080 nan 8.310 nan 0.000 0.466 84 V N -1.129 118.475 119.914 -0.518 0.000 3.147 84 V HA 0.819 4.939 4.120 -0.000 0.000 0.306 84 V C 0.734 176.725 176.094 -0.172 0.000 1.209 84 V CA -0.113 61.983 62.300 -0.340 0.000 1.023 84 V CB 1.258 32.845 31.823 -0.393 0.000 1.059 84 V HN 1.451 nan 8.190 nan 0.000 0.435 85 S N 1.029 116.665 115.700 -0.107 0.000 2.439 85 S HA 0.314 4.784 4.470 -0.000 0.000 0.224 85 S C 0.803 175.364 174.600 -0.065 0.000 1.029 85 S CA 0.582 58.741 58.200 -0.068 0.000 0.946 85 S CB -0.331 62.838 63.200 -0.051 0.000 0.797 85 S HN 2.188 nan 8.310 nan 0.000 0.504 86 S N -0.093 115.557 115.700 -0.083 0.000 2.587 86 S HA 0.643 5.113 4.470 -0.000 0.000 0.269 86 S C -1.281 173.223 174.600 -0.160 0.000 1.154 86 S CA -1.185 56.956 58.200 -0.098 0.000 0.824 86 S CB 0.556 63.704 63.200 -0.086 0.000 1.118 86 S HN 0.280 nan 8.310 nan 0.000 0.462 87 I N 2.349 122.771 120.570 -0.246 0.000 2.353 87 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 87 I C -1.344 174.535 176.117 -0.398 0.000 0.992 87 I CA -2.624 58.361 61.300 -0.525 0.000 1.268 87 I CB 1.992 39.591 38.000 -0.668 0.000 1.387 87 I HN 0.572 nan 8.210 nan 0.000 0.478 88 P HA -0.153 nan 4.420 nan 0.000 0.221 88 P C 1.246 178.441 177.300 -0.176 0.000 1.145 88 P CA 1.141 64.079 63.100 -0.269 0.000 0.795 88 P CB 0.130 31.580 31.700 -0.418 0.000 0.775 89 S N -1.602 113.991 115.700 -0.179 0.000 2.489 89 S HA 0.201 4.671 4.470 -0.000 0.000 0.228 89 S C 1.814 176.291 174.600 -0.205 0.000 0.995 89 S CA 0.838 58.933 58.200 -0.175 0.000 0.934 89 S CB -1.078 61.896 63.200 -0.376 0.000 0.771 89 S HN 0.311 nan 8.310 nan 0.000 0.522 90 G N 0.895 109.577 108.800 -0.197 0.000 2.195 90 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.246 90 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.246 90 G C -0.261 174.556 174.900 -0.139 0.000 0.984 90 G CA 0.062 45.073 45.100 -0.149 0.000 0.633 90 G HN 0.532 nan 8.290 nan 0.000 0.525 91 D N 1.316 121.601 120.400 -0.191 0.000 2.362 91 D HA 0.508 5.147 4.640 -0.000 0.000 0.238 91 D C 1.241 177.516 176.300 -0.040 0.000 1.212 91 D CA 1.429 55.349 54.000 -0.134 0.000 0.902 91 D CB 1.077 41.700 40.800 -0.295 0.000 1.180 91 D HN 0.639 nan 8.370 nan 0.000 0.445 92 T N -4.059 110.538 114.554 0.072 0.000 2.669 92 T HA 0.575 4.925 4.350 -0.000 0.000 0.283 92 T C 0.631 175.453 174.700 0.203 0.000 1.019 92 T CA -0.359 61.807 62.100 0.111 0.000 1.039 92 T CB 1.393 70.306 68.868 0.075 0.000 1.374 92 T HN 0.558 nan 8.240 nan 0.000 0.523 93 G N 0.616 109.529 108.800 0.188 0.000 2.298 93 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.287 93 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.287 93 G C -0.220 174.821 174.900 0.236 0.000 1.075 93 G CA -0.105 45.110 45.100 0.192 0.000 0.960 93 G HN 1.113 nan 8.290 nan 0.000 0.502 94 F N 0.271 120.307 119.950 0.143 0.000 2.629 94 F HA 0.421 4.947 4.527 -0.000 0.000 0.377 94 F C 0.377 176.240 175.800 0.106 0.000 1.101 94 F CA 0.358 58.465 58.000 0.177 0.000 1.301 94 F CB 0.778 39.883 39.000 0.175 0.000 1.062 94 F HN 0.171 nan 8.300 nan 0.000 0.583 95 V N 6.652 126.014 119.914 -0.919 0.000 2.623 95 V HA 0.241 4.361 4.120 -0.000 0.000 0.304 95 V C -0.476 174.908 176.094 -1.184 0.000 1.054 95 V CA -1.290 60.451 62.300 -0.933 0.000 0.882 95 V CB 1.826 33.173 31.823 -0.792 0.000 1.002 95 V HN 0.798 nan 8.190 nan 0.000 0.424 96 K N 3.805 123.715 120.400 -0.817 0.000 2.180 96 K HA 0.382 4.702 4.320 -0.000 0.000 0.251 96 K C -0.306 176.283 176.600 -0.019 0.000 1.014 96 K CA -0.342 55.791 56.287 -0.257 0.000 0.913 96 K CB 0.792 33.343 32.500 0.086 0.000 1.008 96 K HN 0.424 nan 8.250 nan 0.000 0.490 97 F N 2.102 122.014 119.950 -0.064 0.000 2.572 97 F HA -0.091 4.435 4.527 -0.000 0.000 0.370 97 F C 1.192 176.935 175.800 -0.095 0.000 1.103 97 F CA -0.541 57.423 58.000 -0.061 0.000 1.286 97 F CB 0.493 39.446 39.000 -0.079 0.000 1.105 97 F HN 0.787 nan 8.300 nan 0.000 0.583 98 N N 2.605 121.294 118.700 -0.018 0.000 2.405 98 N HA 0.330 5.069 4.740 -0.000 0.000 0.269 98 N C 0.458 175.913 175.510 -0.092 0.000 1.249 98 N CA -0.101 52.934 53.050 -0.025 0.000 0.974 98 N CB 0.474 38.985 38.487 0.040 0.000 1.204 98 N HN 0.537 nan 8.380 nan 0.000 0.565 99 A N -0.583 122.191 122.820 -0.078 0.000 1.933 99 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 99 A C 1.983 179.500 177.584 -0.111 0.000 1.175 99 A CA 1.733 53.710 52.037 -0.100 0.000 0.628 99 A CB -1.111 17.850 19.000 -0.065 0.000 0.814 99 A HN 0.903 nan 8.150 nan 0.000 0.444 100 E N -0.385 119.755 120.200 -0.099 0.000 2.106 100 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 100 E C 2.143 178.679 176.600 -0.105 0.000 0.984 100 E CA 1.171 57.513 56.400 -0.096 0.000 0.806 100 E CB -0.157 29.484 29.700 -0.099 0.000 0.750 100 E HN 0.758 nan 8.360 nan 0.000 0.458 101 Q N 0.173 119.875 119.800 -0.164 0.000 2.124 101 Q HA -0.154 4.185 4.340 -0.000 0.000 0.202 101 Q C 2.323 178.270 176.000 -0.089 0.000 0.977 101 Q CA 1.392 57.084 55.803 -0.184 0.000 0.850 101 Q CB -0.062 28.203 28.738 -0.787 0.000 0.901 101 Q HN 0.413 nan 8.270 nan 0.000 0.429 102 I N 0.557 121.000 120.570 -0.212 0.000 2.179 102 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 102 I C 2.452 178.466 176.117 -0.171 0.000 1.088 102 I CA 1.233 62.268 61.300 -0.440 0.000 1.357 102 I CB -0.160 37.432 38.000 -0.679 0.000 1.051 102 I HN 0.201 nan 8.210 nan 0.000 0.409 103 E N 0.736 120.876 120.200 -0.099 0.000 2.077 103 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 103 E C 2.181 178.790 176.600 0.014 0.000 0.989 103 E CA 1.462 57.844 56.400 -0.030 0.000 0.800 103 E CB -0.055 29.626 29.700 -0.031 0.000 0.746 103 E HN 0.334 nan 8.360 nan 0.000 0.452 104 Q N -0.208 119.618 119.800 0.043 0.000 2.123 104 Q HA -0.004 4.335 4.340 -0.000 0.000 0.199 104 Q C 2.179 178.304 176.000 0.208 0.000 0.966 104 Q CA 1.332 57.197 55.803 0.103 0.000 0.845 104 Q CB -0.438 28.329 28.738 0.048 0.000 0.907 104 Q HN 0.407 nan 8.270 nan 0.000 0.439 105 A N 1.555 124.487 122.820 0.185 0.000 1.902 105 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 105 A C 2.085 179.584 177.584 -0.141 0.000 1.181 105 A CA 1.628 53.608 52.037 -0.094 0.000 0.623 105 A CB -0.312 18.333 19.000 -0.592 0.000 0.818 105 A HN 0.265 nan 8.150 nan 0.000 0.443 106 K N -0.353 120.007 120.400 -0.066 0.000 2.097 106 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 106 K C 1.791 178.376 176.600 -0.026 0.000 1.050 106 K CA 1.189 57.427 56.287 -0.081 0.000 0.938 106 K CB -0.336 32.190 32.500 0.045 0.000 0.718 106 K HN 0.460 nan 8.250 nan 0.000 0.442 107 L N 0.552 121.793 121.223 0.030 0.000 2.083 107 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 107 L C 2.351 179.262 176.870 0.068 0.000 1.083 107 L CA 1.012 55.894 54.840 0.070 0.000 0.752 107 L CB -0.373 41.736 42.059 0.083 0.000 0.899 107 L HN 0.121 nan 8.230 nan 0.000 0.433 108 S N 0.106 115.839 115.700 0.055 0.000 2.356 108 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 108 S C 1.988 176.630 174.600 0.071 0.000 1.032 108 S CA 1.125 59.354 58.200 0.049 0.000 1.005 108 S CB -0.276 63.031 63.200 0.177 0.000 0.867 108 S HN 0.263 nan 8.310 nan 0.000 0.449 109 L N 1.398 122.606 121.223 -0.025 0.000 2.012 109 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 109 L C 2.842 179.780 176.870 0.113 0.000 1.073 109 L CA 1.657 56.387 54.840 -0.183 0.000 0.748 109 L CB -0.559 41.090 42.059 -0.683 0.000 0.891 109 L HN 0.406 nan 8.230 nan 0.000 0.431 110 Q N -0.001 119.860 119.800 0.102 0.000 2.135 110 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 110 Q C 2.289 178.409 176.000 0.200 0.000 0.981 110 Q CA 2.126 58.041 55.803 0.186 0.000 0.856 110 Q CB -0.030 28.797 28.738 0.148 0.000 0.902 110 Q HN 0.599 nan 8.270 nan 0.000 0.425 111 S N -1.256 114.506 115.700 0.104 0.000 2.423 111 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 111 S C 1.353 175.893 174.600 -0.099 0.000 1.014 111 S CA 0.738 58.919 58.200 -0.033 0.000 0.965 111 S CB -0.635 62.314 63.200 -0.419 0.000 0.785 111 S HN 0.592 nan 8.310 nan 0.000 0.495 112 W N 2.390 123.760 121.300 0.116 0.000 2.441 112 W HA 0.049 4.709 4.660 -0.000 0.000 0.302 112 W C 3.142 179.767 176.519 0.177 0.000 1.191 112 W CA 0.789 58.226 57.345 0.153 0.000 1.327 112 W CB -0.468 29.119 29.460 0.213 0.000 1.128 112 W HN 0.454 nan 8.180 nan 0.000 0.522 113 S N -0.375 115.617 115.700 0.486 0.000 2.447 113 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 113 S C 1.280 176.009 174.600 0.214 0.000 1.006 113 S CA 1.523 59.890 58.200 0.280 0.000 0.957 113 S CB -0.516 62.846 63.200 0.269 0.000 0.773 113 S HN 0.110 nan 8.310 nan 0.000 0.507 114 D N 1.561 122.107 120.400 0.243 0.000 2.144 114 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 114 D C 2.090 178.542 176.300 0.254 0.000 0.984 114 D CA 1.587 55.751 54.000 0.274 0.000 0.834 114 D CB -0.166 40.832 40.800 0.329 0.000 0.955 114 D HN 0.572 nan 8.370 nan 0.000 0.465 115 V N -3.099 116.870 119.914 0.093 0.000 3.431 115 V HA 0.567 4.687 4.120 -0.000 0.000 0.253 115 V C 0.637 176.549 176.094 -0.303 0.000 1.184 115 V CA 0.501 62.617 62.300 -0.306 0.000 1.104 115 V CB 0.162 31.810 31.823 -0.291 0.000 0.799 115 V HN 0.074 nan 8.190 nan 0.000 0.462 116 A N 0.426 123.238 122.820 -0.013 0.000 2.479 116 A HA 0.725 5.045 4.320 -0.000 0.000 0.296 116 A C -0.633 176.980 177.584 0.048 0.000 1.121 116 A CA -0.771 51.285 52.037 0.033 0.000 0.743 116 A CB 0.953 20.040 19.000 0.145 0.000 1.323 116 A HN 0.193 nan 8.150 nan 0.000 0.415 117 N N 1.053 119.791 118.700 0.063 0.000 3.050 117 N HA 0.354 5.094 4.740 -0.000 0.000 0.289 117 N C -1.204 174.260 175.510 -0.077 0.000 1.209 117 N CA 0.506 53.574 53.050 0.028 0.000 1.154 117 N CB -0.519 38.010 38.487 0.069 0.000 1.444 117 N HN 0.478 nan 8.380 nan 0.000 0.529 118 L N 0.308 121.417 121.223 -0.191 0.000 2.365 118 L HA 0.510 4.850 4.340 -0.000 0.000 0.273 118 L C 0.399 176.984 176.870 -0.475 0.000 1.000 118 L CA -0.799 53.759 54.840 -0.470 0.000 0.819 118 L CB 2.114 43.775 42.059 -0.663 0.000 1.284 118 L HN 0.162 nan 8.230 nan 0.000 0.418 119 T N -0.931 113.310 114.554 -0.520 0.000 2.841 119 T HA 0.690 5.039 4.350 -0.000 0.000 0.283 119 T C -0.794 173.616 174.700 -0.483 0.000 1.000 119 T CA -0.498 61.384 62.100 -0.364 0.000 0.977 119 T CB 1.032 69.813 68.868 -0.145 0.000 0.979 119 T HN 0.188 nan 8.240 nan 0.000 0.446 120 F N 1.290 121.275 119.950 0.059 0.000 2.467 120 F HA 0.563 5.089 4.527 -0.000 0.000 0.336 120 F C 0.529 176.494 175.800 0.276 0.000 1.123 120 F CA -0.792 57.301 58.000 0.154 0.000 0.964 120 F CB 2.606 41.659 39.000 0.088 0.000 1.136 120 F HN 0.578 nan 8.300 nan 0.000 0.447 121 T N 2.215 117.002 114.554 0.388 0.000 2.841 121 T HA 0.176 4.526 4.350 -0.000 0.000 0.285 121 T C -0.656 173.900 174.700 -0.240 0.000 0.991 121 T CA -0.776 61.406 62.100 0.137 0.000 0.966 121 T CB 1.520 70.399 68.868 0.018 0.000 0.962 121 T HN 0.563 nan 8.240 nan 0.000 0.438 122 E N 2.606 122.462 120.200 -0.573 0.000 2.360 122 E HA 0.393 4.743 4.350 -0.000 0.000 0.269 122 E C -0.156 176.145 176.600 -0.499 0.000 1.022 122 E CA -0.580 55.160 56.400 -1.100 0.000 0.887 122 E CB 0.596 29.793 29.700 -0.838 0.000 0.990 122 E HN 0.506 nan 8.360 nan 0.000 0.426 123 V N 1.136 120.777 119.914 -0.455 0.000 2.960 123 V HA 0.777 4.897 4.120 -0.000 0.000 0.315 123 V C -0.060 175.921 176.094 -0.189 0.000 1.087 123 V CA -0.267 61.886 62.300 -0.245 0.000 0.982 123 V CB 1.543 33.249 31.823 -0.194 0.000 1.039 123 V HN 0.863 nan 8.190 nan 0.000 0.437 124 T N -1.357 113.130 114.554 -0.112 0.000 2.669 124 T HA 0.906 5.256 4.350 -0.000 0.000 0.283 124 T C 0.751 175.422 174.700 -0.049 0.000 1.019 124 T CA 0.168 62.230 62.100 -0.063 0.000 1.039 124 T CB 0.938 69.787 68.868 -0.032 0.000 1.374 124 T HN 2.616 nan 8.240 nan 0.000 0.523 125 G N 1.644 110.429 108.800 -0.025 0.000 2.574 125 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.286 125 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.286 125 G C 0.284 175.166 174.900 -0.031 0.000 1.212 125 G CA 0.615 45.702 45.100 -0.022 0.000 0.979 125 G HN 1.069 nan 8.290 nan 0.000 0.557 126 N N 1.246 119.926 118.700 -0.033 0.000 2.336 126 N HA 0.193 4.932 4.740 -0.000 0.000 0.189 126 N C 0.471 175.953 175.510 -0.047 0.000 1.113 126 N CA 0.508 53.536 53.050 -0.037 0.000 0.858 126 N CB 0.290 38.760 38.487 -0.029 0.000 0.970 126 N HN 0.611 nan 8.380 nan 0.000 0.471 127 K N 1.367 121.733 120.400 -0.055 0.000 2.489 127 K HA 0.054 4.373 4.320 -0.000 0.000 0.278 127 K C 0.486 177.038 176.600 -0.080 0.000 1.000 127 K CA 0.043 56.290 56.287 -0.067 0.000 1.012 127 K CB 0.399 32.852 32.500 -0.078 0.000 0.903 127 K HN 0.198 nan 8.250 nan 0.000 0.485 128 S N 0.881 116.534 115.700 -0.079 0.000 2.603 128 S HA 0.570 5.040 4.470 -0.000 0.000 0.268 128 S C -0.218 174.310 174.600 -0.120 0.000 1.317 128 S CA -0.913 57.234 58.200 -0.089 0.000 1.012 128 S CB 1.501 64.657 63.200 -0.073 0.000 0.926 128 S HN 0.662 nan 8.310 nan 0.000 0.539 129 A N 1.396 124.132 122.820 -0.139 0.000 2.498 129 A HA 0.609 4.929 4.320 -0.000 0.000 0.298 129 A C 0.351 177.804 177.584 -0.219 0.000 1.075 129 A CA -1.081 50.847 52.037 -0.181 0.000 0.714 129 A CB 0.810 19.697 19.000 -0.189 0.000 1.299 129 A HN 0.897 nan 8.150 nan 0.000 0.407 130 N N 0.040 118.538 118.700 -0.335 0.000 2.084 130 N HA 0.002 4.741 4.740 -0.000 0.000 0.190 130 N C -0.026 175.302 175.510 -0.303 0.000 1.030 130 N CA 1.332 54.021 53.050 -0.602 0.000 0.849 130 N CB -0.071 37.747 38.487 -1.115 0.000 1.012 130 N HN 0.664 nan 8.380 nan 0.000 0.423 131 I N 0.475 120.900 120.570 -0.240 0.000 2.433 131 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 131 I C -0.388 175.498 176.117 -0.385 0.000 1.001 131 I CA -0.672 60.479 61.300 -0.247 0.000 1.119 131 I CB 1.858 39.713 38.000 -0.241 0.000 1.289 131 I HN 0.062 nan 8.210 nan 0.000 0.438 132 T N 2.114 116.337 114.554 -0.551 0.000 2.916 132 T HA 0.717 5.067 4.350 -0.000 0.000 0.292 132 T C -0.855 173.254 174.700 -0.985 0.000 1.055 132 T CA -0.662 61.077 62.100 -0.603 0.000 1.009 132 T CB 1.737 70.363 68.868 -0.403 0.000 1.118 132 T HN 0.184 nan 8.240 nan 0.000 0.497 133 F N 0.007 119.592 119.950 -0.609 0.000 2.540 133 F HA 0.793 5.320 4.527 -0.000 0.000 0.317 133 F C 0.719 176.121 175.800 -0.664 0.000 1.104 133 F CA -0.387 57.153 58.000 -0.767 0.000 0.913 133 F CB 2.755 41.011 39.000 -1.240 0.000 1.170 133 F HN 1.167 nan 8.300 nan 0.000 0.450 134 G N 1.980 110.655 108.800 -0.209 0.000 2.673 134 G HA2 0.381 4.341 3.960 -0.000 0.000 0.292 134 G HA3 0.381 4.341 3.960 -0.000 0.000 0.292 134 G C -2.027 173.269 174.900 0.660 0.000 1.450 134 G CA -0.988 44.294 45.100 0.304 0.000 0.837 134 G HN 0.437 nan 8.290 nan 0.000 0.505 135 N N -0.680 118.314 118.700 0.490 0.000 2.443 135 N HA 0.655 5.395 4.740 -0.000 0.000 0.293 135 N C -1.101 174.650 175.510 0.401 0.000 1.159 135 N CA -0.280 53.022 53.050 0.419 0.000 0.904 135 N CB 2.112 40.694 38.487 0.158 0.000 1.214 135 N HN 0.675 nan 8.380 nan 0.000 0.513 136 Y N -2.673 117.827 120.300 0.332 0.000 2.633 136 Y HA 0.655 5.204 4.550 -0.000 0.000 0.339 136 Y C 0.687 176.720 175.900 0.220 0.000 1.045 136 Y CA -0.881 57.373 58.100 0.257 0.000 1.098 136 Y CB 1.097 39.708 38.460 0.252 0.000 1.296 136 Y HN 0.532 nan 8.280 nan 0.000 0.494 137 T N -2.798 111.932 114.554 0.293 0.000 3.046 137 T HA 0.480 4.830 4.350 -0.000 0.000 0.270 137 T C 0.046 174.895 174.700 0.248 0.000 0.920 137 T CA -0.406 61.810 62.100 0.193 0.000 0.874 137 T CB 0.101 69.062 68.868 0.155 0.000 1.214 137 T HN 0.672 nan 8.240 nan 0.000 0.536 138 R N 1.660 122.340 120.500 0.301 0.000 2.808 138 R HA 0.603 4.943 4.340 -0.000 0.000 0.272 138 R C -1.417 174.991 176.300 0.181 0.000 0.995 138 R CA -0.861 55.363 56.100 0.205 0.000 0.917 138 R CB 1.261 31.648 30.300 0.144 0.000 1.217 138 R HN 0.277 nan 8.270 nan 0.000 0.471 139 D N 0.494 120.956 120.400 0.105 0.000 2.478 139 D HA 0.211 4.851 4.640 -0.000 0.000 0.269 139 D C 0.872 177.181 176.300 0.015 0.000 1.232 139 D CA -0.516 53.508 54.000 0.040 0.000 1.059 139 D CB 0.344 41.153 40.800 0.014 0.000 1.104 139 D HN 0.469 nan 8.370 nan 0.000 0.566 140 A N -0.436 122.371 122.820 -0.022 0.000 2.070 140 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 140 A C 1.994 179.572 177.584 -0.009 0.000 1.159 140 A CA 1.371 53.392 52.037 -0.026 0.000 0.656 140 A CB -0.835 18.135 19.000 -0.049 0.000 0.800 140 A HN 0.440 nan 8.150 nan 0.000 0.453 141 S N -1.685 114.014 115.700 -0.002 0.000 2.562 141 S HA 0.319 4.788 4.470 -0.000 0.000 0.221 141 S C 1.465 176.077 174.600 0.019 0.000 0.975 141 S CA 0.851 59.055 58.200 0.006 0.000 0.918 141 S CB -0.009 63.193 63.200 0.004 0.000 0.772 141 S HN 1.599 nan 8.310 nan 0.000 0.531 142 G N 1.936 110.755 108.800 0.031 0.000 2.141 142 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.242 142 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.242 142 G C -0.280 174.653 174.900 0.055 0.000 0.982 142 G CA -0.403 44.724 45.100 0.045 0.000 0.662 142 G HN 0.445 nan 8.290 nan 0.000 0.527 143 N N -0.031 118.700 118.700 0.052 0.000 2.509 143 N HA 0.512 5.252 4.740 -0.000 0.000 0.287 143 N C 0.215 175.773 175.510 0.081 0.000 1.121 143 N CA -0.661 52.425 53.050 0.060 0.000 0.977 143 N CB 1.691 40.204 38.487 0.043 0.000 1.167 143 N HN 0.241 nan 8.380 nan 0.000 0.476 144 L N 1.389 122.672 121.223 0.100 0.000 2.525 144 L HA -0.004 4.336 4.340 -0.000 0.000 0.278 144 L C 0.141 177.079 176.870 0.114 0.000 1.218 144 L CA 0.569 55.489 54.840 0.134 0.000 0.878 144 L CB 0.060 42.220 42.059 0.169 0.000 1.127 144 L HN 0.457 nan 8.230 nan 0.000 0.492 145 D N 3.354 123.835 120.400 0.134 0.000 2.460 145 D HA 0.134 4.774 4.640 -0.000 0.000 0.232 145 D C -0.128 176.240 176.300 0.114 0.000 1.079 145 D CA -0.326 53.722 54.000 0.081 0.000 0.864 145 D CB 0.457 41.370 40.800 0.188 0.000 1.048 145 D HN 0.474 nan 8.370 nan 0.000 0.523 146 Y N 1.648 122.002 120.300 0.091 0.000 2.458 146 Y HA 0.485 5.035 4.550 -0.000 0.000 0.256 146 Y C 1.466 177.409 175.900 0.072 0.000 1.159 146 Y CA -0.248 57.893 58.100 0.067 0.000 1.261 146 Y CB 0.355 38.841 38.460 0.044 0.000 1.119 146 Y HN 0.246 nan 8.280 nan 0.000 0.524 147 G N 0.623 109.349 108.800 -0.123 0.000 2.576 147 G HA2 0.030 3.990 3.960 -0.000 0.000 0.210 147 G HA3 0.030 3.990 3.960 -0.000 0.000 0.210 147 G C 0.775 175.721 174.900 0.076 0.000 1.143 147 G CA 0.580 45.656 45.100 -0.040 0.000 0.819 147 G HN 0.445 nan 8.290 nan 0.000 0.534 148 T N -2.127 112.503 114.554 0.127 0.000 2.754 148 T HA 0.454 4.804 4.350 -0.000 0.000 0.286 148 T C 0.855 175.701 174.700 0.243 0.000 0.997 148 T CA 0.299 62.525 62.100 0.209 0.000 0.982 148 T CB 2.006 71.056 68.868 0.303 0.000 1.027 148 T HN 0.149 nan 8.240 nan 0.000 0.529 149 Q N 0.327 120.295 119.800 0.281 0.000 2.652 149 Q HA 0.634 4.974 4.340 -0.000 0.000 0.211 149 Q C -0.050 176.117 176.000 0.280 0.000 0.858 149 Q CA 0.718 56.672 55.803 0.253 0.000 0.895 149 Q CB 0.416 29.304 28.738 0.250 0.000 1.194 149 Q HN 1.182 nan 8.270 nan 0.000 0.645 150 A N -1.079 121.908 122.820 0.278 0.000 2.567 150 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 150 A C -1.917 175.731 177.584 0.107 0.000 1.048 150 A CA -0.285 51.819 52.037 0.112 0.000 0.661 150 A CB 0.345 19.380 19.000 0.058 0.000 1.288 150 A HN 0.521 nan 8.150 nan 0.000 0.424 151 Y N -2.762 117.516 120.300 -0.035 0.000 2.689 151 Y HA 0.907 5.456 4.550 -0.000 0.000 0.333 151 Y C -0.401 175.413 175.900 -0.144 0.000 1.208 151 Y CA -0.862 57.164 58.100 -0.124 0.000 1.055 151 Y CB 0.949 39.309 38.460 -0.167 0.000 1.304 151 Y HN 1.913 nan 8.280 nan 0.000 0.455 152 A N 0.565 123.341 122.820 -0.074 0.000 2.572 152 A HA 0.775 5.095 4.320 -0.000 0.000 0.295 152 A C -2.501 174.902 177.584 -0.301 0.000 1.072 152 A CA -0.929 51.052 52.037 -0.093 0.000 0.691 152 A CB 1.120 20.083 19.000 -0.062 0.000 1.291 152 A HN 0.692 nan 8.150 nan 0.000 0.404 153 Y N 0.195 120.479 120.300 -0.027 0.000 2.360 153 Y HA 0.511 5.061 4.550 -0.000 0.000 0.337 153 Y C 0.007 175.866 175.900 -0.068 0.000 1.039 153 Y CA -0.004 58.075 58.100 -0.034 0.000 1.109 153 Y CB 1.092 39.663 38.460 0.184 0.000 1.201 153 Y HN 0.649 nan 8.280 nan 0.000 0.458 154 Y N 3.427 123.860 120.300 0.223 0.000 2.511 154 Y HA 0.100 4.649 4.550 -0.000 0.000 0.347 154 Y C -1.762 174.075 175.900 -0.104 0.000 1.257 154 Y CA -1.814 56.315 58.100 0.049 0.000 1.469 154 Y CB -0.141 38.328 38.460 0.015 0.000 1.353 154 Y HN 0.403 nan 8.280 nan 0.000 0.617 155 P HA 0.190 nan 4.420 nan 0.000 0.268 155 P C -0.077 176.914 177.300 -0.516 0.000 1.208 155 P CA 0.446 62.877 63.100 -1.115 0.000 0.777 155 P CB 0.651 31.389 31.700 -1.603 0.000 0.875 156 G N 0.958 109.425 108.800 -0.556 0.000 2.324 156 G HA2 0.036 3.995 3.960 -0.000 0.000 0.293 156 G HA3 0.036 3.995 3.960 -0.000 0.000 0.293 156 G C -0.405 174.435 174.900 -0.100 0.000 1.297 156 G CA -0.506 44.518 45.100 -0.127 0.000 0.853 156 G HN 0.338 nan 8.290 nan 0.000 0.535 157 N N -0.595 118.126 118.700 0.034 0.000 2.236 157 N HA 0.166 4.905 4.740 -0.000 0.000 0.196 157 N C 0.429 175.952 175.510 0.022 0.000 1.114 157 N CA 0.075 53.144 53.050 0.033 0.000 0.859 157 N CB 0.215 38.741 38.487 0.064 0.000 0.982 157 N HN 0.622 nan 8.380 nan 0.000 0.493 158 Y N 0.438 120.746 120.300 0.013 0.000 2.299 158 Y HA 0.419 4.969 4.550 -0.000 0.000 0.335 158 Y C 0.853 176.747 175.900 -0.010 0.000 1.287 158 Y CA -1.335 56.763 58.100 -0.003 0.000 1.424 158 Y CB 0.178 38.633 38.460 -0.009 0.000 1.326 158 Y HN -0.224 nan 8.280 nan 0.000 0.567 159 Q N 1.354 121.208 119.800 0.091 0.000 2.271 159 Q HA 0.367 4.707 4.340 -0.000 0.000 0.273 159 Q C 0.797 176.747 176.000 -0.082 0.000 1.051 159 Q CA 1.373 57.166 55.803 -0.018 0.000 0.901 159 Q CB 0.189 28.932 28.738 0.008 0.000 1.174 159 Q HN 1.160 nan 8.270 nan 0.000 0.385 160 G N 2.418 111.113 108.800 -0.174 0.000 2.176 160 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.232 160 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.232 160 G C 0.195 174.919 174.900 -0.292 0.000 0.986 160 G CA -0.136 44.836 45.100 -0.214 0.000 0.643 160 G HN 1.074 nan 8.290 nan 0.000 0.522 161 A N 0.065 122.522 122.820 -0.605 0.000 2.546 161 A HA 0.600 4.919 4.320 -0.000 0.000 0.243 161 A C 2.125 179.678 177.584 -0.052 0.000 1.063 161 A CA 2.111 53.751 52.037 -0.661 0.000 0.757 161 A CB -0.174 18.207 19.000 -1.032 0.000 0.991 161 A HN 2.404 nan 8.150 nan 0.000 0.503 162 G N 1.509 110.375 108.800 0.111 0.000 2.179 162 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.260 162 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.260 162 G C 0.595 175.520 174.900 0.041 0.000 0.977 162 G CA 0.936 46.197 45.100 0.269 0.000 0.641 162 G HN 2.209 nan 8.290 nan 0.000 0.533 163 S N 0.026 115.751 115.700 0.041 0.000 2.565 163 S HA 0.714 5.184 4.470 -0.000 0.000 0.274 163 S C 0.172 174.640 174.600 -0.220 0.000 1.309 163 S CA 0.667 58.777 58.200 -0.150 0.000 1.043 163 S CB 1.916 65.160 63.200 0.073 0.000 0.939 163 S HN 1.866 nan 8.310 nan 0.000 0.504 164 S N 1.767 117.019 115.700 -0.746 0.000 2.526 164 S HA 0.790 5.260 4.470 -0.000 0.000 0.293 164 S C -1.572 172.390 174.600 -1.063 0.000 1.092 164 S CA -0.965 56.823 58.200 -0.686 0.000 0.980 164 S CB 0.378 63.299 63.200 -0.465 0.000 1.048 164 S HN 0.856 nan 8.310 nan 0.000 0.483 165 W N 0.711 121.598 121.300 -0.689 0.000 2.998 165 W HA 0.669 5.329 4.660 -0.001 0.000 0.335 165 W C -1.733 174.389 176.519 -0.662 0.000 1.110 165 W CA -0.676 56.391 57.345 -0.463 0.000 1.230 165 W CB 1.403 30.539 29.460 -0.540 0.000 1.405 165 W HN 0.692 nan 8.180 nan 0.000 0.493 166 Y N 1.271 121.826 120.300 0.424 0.000 2.492 166 Y HA 0.286 4.835 4.550 -0.000 0.000 0.346 166 Y C 0.025 175.825 175.900 -0.166 0.000 0.997 166 Y CA -1.429 56.815 58.100 0.240 0.000 1.025 166 Y CB 1.585 40.258 38.460 0.355 0.000 1.263 166 Y HN 0.293 nan 8.280 nan 0.000 0.454 167 N N 1.684 120.264 118.700 -0.200 0.000 2.402 167 N HA -0.031 4.709 4.740 -0.000 0.000 0.252 167 N C 0.181 175.625 175.510 -0.110 0.000 1.118 167 N CA 0.187 52.917 53.050 -0.533 0.000 0.945 167 N CB 0.154 38.496 38.487 -0.242 0.000 1.147 167 N HN 0.750 nan 8.380 nan 0.000 0.495 168 Y N 3.552 123.725 120.300 -0.212 0.000 2.574 168 Y HA 0.058 4.608 4.550 -0.000 0.000 0.294 168 Y C 1.212 177.078 175.900 -0.057 0.000 1.142 168 Y CA 0.956 59.000 58.100 -0.093 0.000 1.314 168 Y CB 0.132 38.548 38.460 -0.074 0.000 0.991 168 Y HN 0.582 nan 8.280 nan 0.000 0.555 169 N N -0.108 118.603 118.700 0.018 0.000 2.461 169 N HA -0.056 4.683 4.740 -0.000 0.000 0.188 169 N C -0.176 175.326 175.510 -0.013 0.000 1.134 169 N CA 0.504 53.564 53.050 0.016 0.000 0.878 169 N CB 0.039 38.590 38.487 0.106 0.000 0.972 169 N HN 0.381 nan 8.380 nan 0.000 0.456 170 Q N 0.468 120.245 119.800 -0.039 0.000 2.274 170 Q HA 0.143 4.482 4.340 -0.000 0.000 0.256 170 Q C 1.138 177.072 176.000 -0.110 0.000 0.927 170 Q CA -0.116 55.670 55.803 -0.028 0.000 0.939 170 Q CB 1.595 30.346 28.738 0.022 0.000 1.201 170 Q HN 0.216 nan 8.270 nan 0.000 0.426 171 S N 2.594 118.235 115.700 -0.098 0.000 2.399 171 S HA -0.253 4.217 4.470 -0.000 0.000 0.231 171 S C 1.278 175.795 174.600 -0.139 0.000 1.022 171 S CA 1.695 59.813 58.200 -0.137 0.000 0.983 171 S CB -0.224 62.917 63.200 -0.099 0.000 0.803 171 S HN 0.778 nan 8.310 nan 0.000 0.480 172 N N 1.643 120.290 118.700 -0.088 0.000 2.309 172 N HA -0.048 4.692 4.740 -0.000 0.000 0.182 172 N C 1.590 176.988 175.510 -0.187 0.000 1.018 172 N CA 1.220 54.211 53.050 -0.098 0.000 0.876 172 N CB -0.410 38.077 38.487 -0.001 0.000 0.972 172 N HN 0.356 nan 8.380 nan 0.000 0.434 173 I N 0.739 121.214 120.570 -0.159 0.000 2.353 173 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 173 I C 2.246 178.207 176.117 -0.261 0.000 1.119 173 I CA 0.970 62.164 61.300 -0.177 0.000 1.417 173 I CB -0.833 37.158 38.000 -0.015 0.000 1.078 173 I HN 0.283 nan 8.210 nan 0.000 0.421 174 R N 0.920 121.222 120.500 -0.329 0.000 2.115 174 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 174 R C 0.193 176.327 176.300 -0.277 0.000 1.100 174 R CA 0.753 56.605 56.100 -0.414 0.000 0.980 174 R CB -0.046 29.908 30.300 -0.577 0.000 0.875 174 R HN 0.368 nan 8.270 nan 0.000 0.445 175 N N 0.604 119.158 118.700 -0.244 0.000 2.660 175 N HA 0.118 4.858 4.740 -0.000 0.000 0.316 175 N C -2.191 173.194 175.510 -0.209 0.000 1.774 175 N CA -1.127 51.808 53.050 -0.192 0.000 0.946 175 N CB 1.149 39.548 38.487 -0.147 0.000 1.322 175 N HN 0.102 nan 8.380 nan 0.000 0.492 176 P HA -0.026 nan 4.420 nan 0.000 0.226 176 P C 1.326 178.485 177.300 -0.235 0.000 1.153 176 P CA 0.753 63.625 63.100 -0.381 0.000 0.777 176 P CB 0.256 31.518 31.700 -0.730 0.000 0.794 177 G N 0.561 109.264 108.800 -0.161 0.000 2.511 177 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 177 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 177 G C 1.447 176.309 174.900 -0.063 0.000 1.133 177 G CA 0.841 45.885 45.100 -0.094 0.000 0.792 177 G HN 0.459 nan 8.290 nan 0.000 0.539 178 S N -1.051 114.606 115.700 -0.071 0.000 2.578 178 S HA 0.273 4.742 4.470 -0.000 0.000 0.228 178 S C 0.275 174.857 174.600 -0.030 0.000 1.022 178 S CA -0.397 57.779 58.200 -0.040 0.000 0.967 178 S CB 0.523 63.698 63.200 -0.042 0.000 0.914 178 S HN 0.292 nan 8.310 nan 0.000 0.515 179 E N 1.499 121.666 120.200 -0.054 0.000 2.186 179 E HA 0.286 4.636 4.350 -0.000 0.000 0.255 179 E C -0.350 176.240 176.600 -0.017 0.000 0.881 179 E CA -0.270 56.115 56.400 -0.026 0.000 0.752 179 E CB 1.362 31.031 29.700 -0.051 0.000 1.176 179 E HN 0.358 nan 8.360 nan 0.000 0.421 180 E N 1.301 121.547 120.200 0.078 0.000 2.209 180 E HA -0.231 4.118 4.350 -0.000 0.000 0.196 180 E C 1.159 177.802 176.600 0.071 0.000 0.993 180 E CA 0.934 57.406 56.400 0.120 0.000 0.819 180 E CB 0.008 29.871 29.700 0.271 0.000 0.745 180 E HN 0.521 nan 8.360 nan 0.000 0.477 181 Y N 1.167 121.357 120.300 -0.183 0.000 2.333 181 Y HA -0.108 4.441 4.550 -0.000 0.000 0.290 181 Y C 2.225 177.953 175.900 -0.286 0.000 1.144 181 Y CA 1.360 59.178 58.100 -0.470 0.000 1.228 181 Y CB -0.504 37.544 38.460 -0.686 0.000 0.985 181 Y HN -0.023 nan 8.280 nan 0.000 0.542 182 G N -0.328 108.294 108.800 -0.297 0.000 2.404 182 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.215 182 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.215 182 G C 1.747 176.219 174.900 -0.713 0.000 1.174 182 G CA 0.883 45.680 45.100 -0.505 0.000 0.780 182 G HN 0.324 nan 8.290 nan 0.000 0.537 183 R N 0.522 120.725 120.500 -0.494 0.000 2.081 183 R HA -0.055 4.284 4.340 -0.000 0.000 0.235 183 R C 2.519 178.710 176.300 -0.181 0.000 1.131 183 R CA 2.131 58.011 56.100 -0.366 0.000 0.960 183 R CB -0.784 29.413 30.300 -0.172 0.000 0.856 183 R HN 0.492 nan 8.270 nan 0.000 0.436 184 Q N -0.712 118.994 119.800 -0.157 0.000 2.096 184 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 184 Q C 1.402 177.383 176.000 -0.031 0.000 0.982 184 Q CA 2.268 58.029 55.803 -0.071 0.000 0.850 184 Q CB -0.127 28.595 28.738 -0.027 0.000 0.901 184 Q HN 0.426 nan 8.270 nan 0.000 0.422 185 T N 0.767 115.197 114.554 -0.206 0.000 2.746 185 T HA -0.121 4.228 4.350 -0.000 0.000 0.267 185 T C 1.336 176.279 174.700 0.405 0.000 1.039 185 T CA 1.186 63.279 62.100 -0.012 0.000 1.142 185 T CB -0.286 68.486 68.868 -0.161 0.000 0.866 185 T HN 0.238 nan 8.240 nan 0.000 0.444 186 F N 2.067 122.103 119.950 0.144 0.000 2.069 186 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 186 F C 2.860 178.847 175.800 0.312 0.000 1.113 186 F CA 0.854 58.999 58.000 0.243 0.000 1.214 186 F CB -1.774 37.267 39.000 0.068 0.000 0.978 186 F HN 0.139 nan 8.300 nan 0.000 0.474 187 T N -1.660 113.152 114.554 0.429 0.000 2.684 187 T HA -0.269 4.080 4.350 -0.000 0.000 0.267 187 T C 1.897 176.961 174.700 0.606 0.000 1.036 187 T CA 1.850 64.201 62.100 0.418 0.000 1.148 187 T CB -0.699 68.222 68.868 0.089 0.000 0.863 187 T HN 0.452 nan 8.240 nan 0.000 0.436 188 H N 0.668 119.934 119.070 0.326 0.000 2.321 188 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 188 H C 2.673 178.133 175.328 0.220 0.000 1.087 188 H CA 1.603 57.815 56.048 0.273 0.000 1.319 188 H CB 0.062 29.940 29.762 0.194 0.000 1.379 188 H HN 0.503 nan 8.280 nan 0.000 0.501 189 E N 1.259 121.682 120.200 0.372 0.000 2.077 189 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 189 E C 2.095 178.803 176.600 0.181 0.000 0.989 189 E CA 1.297 57.840 56.400 0.239 0.000 0.800 189 E CB -0.796 29.053 29.700 0.249 0.000 0.746 189 E HN 0.640 nan 8.360 nan 0.000 0.452 190 I N 0.851 121.562 120.570 0.234 0.000 2.208 190 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 190 I C 2.943 178.957 176.117 -0.172 0.000 1.097 190 I CA 1.256 62.588 61.300 0.054 0.000 1.363 190 I CB -0.513 37.578 38.000 0.151 0.000 1.051 190 I HN 0.407 nan 8.210 nan 0.000 0.413 191 G N 0.232 108.936 108.800 -0.160 0.000 2.476 191 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 191 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 191 G C 1.514 176.294 174.900 -0.200 0.000 1.164 191 G CA 0.941 45.765 45.100 -0.460 0.000 0.768 191 G HN 0.369 nan 8.290 nan 0.000 0.560 192 H N 0.738 119.857 119.070 0.081 0.000 2.353 192 H HA 0.055 4.611 4.556 -0.000 0.000 0.300 192 H C 2.902 178.270 175.328 0.068 0.000 1.090 192 H CA 1.109 57.211 56.048 0.090 0.000 1.327 192 H CB -0.631 29.111 29.762 -0.033 0.000 1.383 192 H HN 0.391 nan 8.280 nan 0.000 0.508 193 A N 0.656 123.550 122.820 0.124 0.000 2.172 193 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 193 A C 2.387 180.114 177.584 0.239 0.000 1.154 193 A CA 0.695 52.813 52.037 0.134 0.000 0.701 193 A CB -0.583 18.448 19.000 0.052 0.000 0.789 193 A HN 0.301 nan 8.150 nan 0.000 0.465 194 L N -2.238 119.067 121.223 0.137 0.000 2.554 194 L HA 0.264 4.604 4.340 -0.000 0.000 0.225 194 L C 1.635 178.604 176.870 0.164 0.000 1.104 194 L CA 0.660 55.627 54.840 0.211 0.000 0.866 194 L CB 0.239 42.292 42.059 -0.011 0.000 1.047 194 L HN 0.534 nan 8.230 nan 0.000 0.468 195 G N -0.213 108.653 108.800 0.111 0.000 2.205 195 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.180 195 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.180 195 G C 0.149 175.060 174.900 0.018 0.000 1.004 195 G CA -0.647 44.477 45.100 0.040 0.000 0.670 195 G HN 0.072 nan 8.290 nan 0.000 0.496 196 L N 1.312 122.573 121.223 0.064 0.000 2.416 196 L HA 0.587 4.927 4.340 -0.000 0.000 0.272 196 L C 0.800 177.717 176.870 0.078 0.000 1.161 196 L CA 0.273 55.102 54.840 -0.019 0.000 0.845 196 L CB 1.266 43.251 42.059 -0.122 0.000 1.119 196 L HN 0.368 nan 8.230 nan 0.000 0.464 197 A N 3.128 125.898 122.820 -0.083 0.000 2.350 197 A HA 0.700 5.020 4.320 -0.000 0.000 0.324 197 A C -0.995 176.538 177.584 -0.085 0.000 1.118 197 A CA -0.493 51.539 52.037 -0.009 0.000 0.783 197 A CB 0.822 19.761 19.000 -0.101 0.000 1.236 197 A HN 0.855 nan 8.150 nan 0.000 0.457 239 N N 1.292 120.004 118.700 0.020 0.000 2.741 239 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 239 N C 1.042 176.540 175.510 -0.021 0.000 1.115 239 N CA 2.444 55.509 53.050 0.026 0.000 0.724 239 N CB -0.953 37.588 38.487 0.089 0.000 1.090 239 N HN 1.348 nan 8.380 nan 0.000 0.558 240 G N -2.504 106.205 108.800 -0.152 0.000 2.176 240 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.232 240 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.232 240 G C -0.092 174.515 174.900 -0.488 0.000 0.986 240 G CA 0.368 45.288 45.100 -0.300 0.000 0.643 240 G HN 0.692 nan 8.290 nan 0.000 0.522 241 H N -1.013 117.889 119.070 -0.281 0.000 2.544 241 H HA 0.657 5.213 4.556 -0.000 0.000 0.342 241 H C -0.813 174.291 175.328 -0.373 0.000 1.185 241 H CA -0.097 55.829 56.048 -0.204 0.000 1.264 241 H CB 1.321 31.044 29.762 -0.065 0.000 1.607 241 H HN 0.203 nan 8.280 nan 0.000 0.550 242 Y N -1.064 119.380 120.300 0.241 0.000 2.406 242 Y HA 0.282 4.832 4.550 -0.001 0.000 0.340 242 Y C 0.729 176.705 175.900 0.128 0.000 0.975 242 Y CA -0.978 57.251 58.100 0.215 0.000 1.056 242 Y CB 1.786 40.394 38.460 0.246 0.000 1.210 242 Y HN 0.767 nan 8.280 nan 0.000 0.448 243 G N 0.483 109.418 108.800 0.226 0.000 2.365 243 G HA2 0.359 4.319 3.960 -0.000 0.000 0.249 243 G HA3 0.359 4.319 3.960 -0.000 0.000 0.249 243 G C 0.805 175.730 174.900 0.042 0.000 1.288 243 G CA 0.062 45.208 45.100 0.076 0.000 0.887 243 G HN 0.966 nan 8.290 nan 0.000 0.524 244 G N 0.682 109.462 108.800 -0.034 0.000 2.939 244 G HA2 0.474 4.434 3.960 -0.000 0.000 0.210 244 G HA3 0.474 4.434 3.960 -0.000 0.000 0.210 244 G C 0.627 175.323 174.900 -0.341 0.000 1.160 244 G CA 0.953 45.987 45.100 -0.109 0.000 0.770 244 G HN 1.007 nan 8.290 nan 0.000 0.543 245 A N -0.173 122.322 122.820 -0.542 0.000 2.387 245 A HA 0.843 5.162 4.320 -0.000 0.000 0.303 245 A C -2.867 174.365 177.584 -0.586 0.000 1.145 245 A CA -1.530 49.983 52.037 -0.875 0.000 0.801 245 A CB 0.953 18.848 19.000 -1.841 0.000 1.342 245 A HN 0.011 nan 8.150 nan 0.000 0.440 246 P HA 0.221 nan 4.420 nan 0.000 0.268 246 P C -0.312 176.852 177.300 -0.227 0.000 1.204 246 P CA 0.231 63.002 63.100 -0.549 0.000 0.768 246 P CB 0.268 31.435 31.700 -0.888 0.000 0.842 247 M N 2.454 122.005 119.600 -0.082 0.000 2.531 247 M HA 0.275 4.754 4.480 -0.000 0.000 0.262 247 M C 1.782 178.117 176.300 0.059 0.000 1.168 247 M CA -0.851 54.457 55.300 0.012 0.000 0.926 247 M CB -0.240 32.396 32.600 0.059 0.000 1.445 247 M HN 0.315 nan 8.290 nan 0.000 0.531 248 I N 1.071 121.685 120.570 0.073 0.000 2.163 248 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 248 I C 1.492 177.684 176.117 0.125 0.000 1.085 248 I CA 1.859 63.184 61.300 0.042 0.000 1.347 248 I CB 0.018 37.983 38.000 -0.058 0.000 1.044 248 I HN 0.564 nan 8.210 nan 0.000 0.408 249 D N 0.672 121.180 120.400 0.180 0.000 2.144 249 D HA -0.173 4.467 4.640 -0.000 0.000 0.200 249 D C 1.790 178.224 176.300 0.224 0.000 0.978 249 D CA 1.174 55.305 54.000 0.218 0.000 0.833 249 D CB -0.387 40.537 40.800 0.207 0.000 0.961 249 D HN 0.405 nan 8.370 nan 0.000 0.470 250 D N 0.285 120.824 120.400 0.231 0.000 2.178 250 D HA -0.038 4.602 4.640 -0.000 0.000 0.202 250 D C 2.287 178.772 176.300 0.309 0.000 0.974 250 D CA 0.217 54.411 54.000 0.323 0.000 0.841 250 D CB -0.076 40.965 40.800 0.403 0.000 0.953 250 D HN 0.271 nan 8.370 nan 0.000 0.478 251 I N 1.093 121.777 120.570 0.191 0.000 2.179 251 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 251 I C 2.483 178.669 176.117 0.116 0.000 1.088 251 I CA 1.056 62.431 61.300 0.125 0.000 1.357 251 I CB -0.235 37.802 38.000 0.062 0.000 1.051 251 I HN -0.072 nan 8.210 nan 0.000 0.409 252 A N 0.804 123.721 122.820 0.162 0.000 1.883 252 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 252 A C 2.544 180.205 177.584 0.129 0.000 1.186 252 A CA 2.065 54.200 52.037 0.164 0.000 0.624 252 A CB -0.922 18.227 19.000 0.249 0.000 0.822 252 A HN 0.447 nan 8.150 nan 0.000 0.444 253 A N -0.615 122.301 122.820 0.159 0.000 1.877 253 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 253 A C 2.110 179.778 177.584 0.140 0.000 1.186 253 A CA 1.734 53.854 52.037 0.138 0.000 0.620 253 A CB -0.558 18.537 19.000 0.158 0.000 0.822 253 A HN 0.565 nan 8.150 nan 0.000 0.443 254 I N -0.176 120.515 120.570 0.203 0.000 2.394 254 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 254 I C 2.393 178.638 176.117 0.212 0.000 1.136 254 I CA 1.456 62.904 61.300 0.246 0.000 1.425 254 I CB -0.244 37.983 38.000 0.379 0.000 1.079 254 I HN 0.414 nan 8.210 nan 0.000 0.425 255 Q N -0.444 119.428 119.800 0.119 0.000 2.172 255 Q HA -0.184 4.155 4.340 -0.000 0.000 0.200 255 Q C 2.304 178.346 176.000 0.071 0.000 0.964 255 Q CA 1.104 56.942 55.803 0.057 0.000 0.855 255 Q CB -0.231 28.473 28.738 -0.057 0.000 0.918 255 Q HN 0.446 nan 8.270 nan 0.000 0.444 256 R N 0.818 121.358 120.500 0.067 0.000 2.081 256 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 256 R C 1.998 178.371 176.300 0.122 0.000 1.131 256 R CA 1.071 57.207 56.100 0.059 0.000 0.960 256 R CB -0.083 30.224 30.300 0.013 0.000 0.856 256 R HN 0.224 nan 8.270 nan 0.000 0.436 257 L N -1.127 120.117 121.223 0.036 0.000 2.044 257 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 257 L C 1.399 178.053 176.870 -0.361 0.000 1.075 257 L CA 1.318 56.024 54.840 -0.224 0.000 0.747 257 L CB -0.179 41.558 42.059 -0.537 0.000 0.903 257 L HN 0.275 nan 8.230 nan 0.000 0.435 258 Y N -0.828 119.520 120.300 0.080 0.000 2.500 258 Y HA 0.418 4.968 4.550 -0.000 0.000 0.246 258 Y C 1.067 176.995 175.900 0.047 0.000 1.146 258 Y CA 0.070 58.203 58.100 0.054 0.000 1.230 258 Y CB 0.774 39.258 38.460 0.039 0.000 1.214 258 Y HN 0.178 nan 8.280 nan 0.000 0.526 259 G N 1.082 109.977 108.800 0.158 0.000 2.705 259 G HA2 0.106 4.066 3.960 -0.000 0.000 0.686 259 G HA3 0.106 4.066 3.960 -0.000 0.000 0.686 259 G C -0.527 174.421 174.900 0.080 0.000 1.285 259 G CA -0.821 44.347 45.100 0.112 0.000 0.800 259 G HN 0.507 nan 8.290 nan 0.000 0.611 260 A N 0.930 123.782 122.820 0.053 0.000 2.340 260 A HA 0.677 4.996 4.320 -0.000 0.000 0.268 260 A C 0.621 178.268 177.584 0.104 0.000 1.100 260 A CA 0.029 52.053 52.037 -0.023 0.000 0.803 260 A CB 0.805 19.806 19.000 0.002 0.000 1.043 260 A HN 1.396 nan 8.150 nan 0.000 0.488 261 N N 2.526 121.291 118.700 0.108 0.000 2.469 261 N HA 0.161 4.901 4.740 -0.000 0.000 0.239 261 N C 0.274 176.062 175.510 0.464 0.000 1.053 261 N CA -0.347 52.852 53.050 0.248 0.000 0.937 261 N CB 0.448 39.063 38.487 0.214 0.000 1.163 261 N HN 0.478 nan 8.380 nan 0.000 0.509 262 M N 1.629 121.426 119.600 0.330 0.000 2.563 262 M HA 0.021 4.501 4.480 -0.000 0.000 0.231 262 M C 1.356 177.767 176.300 0.185 0.000 1.136 262 M CA 0.364 55.838 55.300 0.289 0.000 1.026 262 M CB -1.310 31.413 32.600 0.205 0.000 1.597 262 M HN 0.542 nan 8.290 nan 0.000 0.495 263 T N -3.427 111.242 114.554 0.190 0.000 3.086 263 T HA 0.109 4.458 4.350 -0.000 0.000 0.250 263 T C 0.671 175.449 174.700 0.130 0.000 1.074 263 T CA -0.027 62.151 62.100 0.129 0.000 0.988 263 T CB -0.208 68.726 68.868 0.110 0.000 0.988 263 T HN 0.131 nan 8.240 nan 0.000 0.530 264 T N 3.596 118.265 114.554 0.193 0.000 2.749 264 T HA 0.397 4.747 4.350 -0.000 0.000 0.295 264 T C 0.137 174.882 174.700 0.075 0.000 0.936 264 T CA -0.533 61.681 62.100 0.190 0.000 1.060 264 T CB 0.406 69.499 68.868 0.375 0.000 0.904 264 T HN 0.384 nan 8.240 nan 0.000 0.500 265 R N 1.216 121.749 120.500 0.055 0.000 3.251 265 R HA -0.174 4.166 4.340 -0.000 0.000 0.249 265 R C 1.212 177.489 176.300 -0.037 0.000 0.949 265 R CA 0.774 56.873 56.100 -0.001 0.000 0.645 265 R CB -2.173 28.132 30.300 0.009 0.000 1.065 265 R HN 0.911 nan 8.270 nan 0.000 0.452 266 T N -3.550 110.990 114.554 -0.025 0.000 3.148 266 T HA 0.117 4.466 4.350 -0.000 0.000 0.253 266 T C 1.235 175.910 174.700 -0.041 0.000 1.134 266 T CA 0.371 62.448 62.100 -0.037 0.000 1.051 266 T CB 0.521 69.381 68.868 -0.013 0.000 0.959 266 T HN 0.472 nan 8.240 nan 0.000 0.525 267 G N 0.597 109.371 108.800 -0.044 0.000 2.525 267 G HA2 0.433 4.392 3.960 -0.000 0.000 0.287 267 G HA3 0.433 4.392 3.960 -0.000 0.000 0.287 267 G C -1.057 173.805 174.900 -0.063 0.000 1.350 267 G CA -0.771 44.299 45.100 -0.049 0.000 1.039 267 G HN 0.217 nan 8.290 nan 0.000 0.513 268 D N 0.458 120.819 120.400 -0.065 0.000 2.344 268 D HA 0.397 5.037 4.640 -0.000 0.000 0.253 268 D C -0.041 176.194 176.300 -0.107 0.000 1.255 268 D CA 0.434 54.391 54.000 -0.072 0.000 0.894 268 D CB 0.858 41.621 40.800 -0.062 0.000 1.067 268 D HN 0.106 nan 8.370 nan 0.000 0.492 269 S N 0.915 116.539 115.700 -0.127 0.000 2.509 269 S HA 0.581 5.051 4.470 -0.000 0.000 0.297 269 S C -0.089 174.316 174.600 -0.325 0.000 1.118 269 S CA -0.873 57.166 58.200 -0.269 0.000 1.074 269 S CB 1.904 64.913 63.200 -0.318 0.000 1.038 269 S HN 0.125 nan 8.310 nan 0.000 0.498 270 V N 3.425 123.073 119.914 -0.444 0.000 2.448 270 V HA 0.421 4.540 4.120 -0.000 0.000 0.295 270 V C -1.423 174.364 176.094 -0.511 0.000 1.025 270 V CA -0.673 61.439 62.300 -0.314 0.000 0.859 270 V CB 0.671 32.395 31.823 -0.166 0.000 0.988 270 V HN 0.833 nan 8.190 nan 0.000 0.431 271 Y N 2.947 123.204 120.300 -0.071 0.000 2.360 271 Y HA 0.806 5.356 4.550 -0.000 0.000 0.337 271 Y C 0.963 176.863 175.900 0.001 0.000 1.039 271 Y CA 0.722 58.752 58.100 -0.116 0.000 1.109 271 Y CB 1.915 40.289 38.460 -0.143 0.000 1.201 271 Y HN 0.957 nan 8.280 nan 0.000 0.458 272 G N 1.661 110.566 108.800 0.175 0.000 2.715 272 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.221 272 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.221 272 G C -0.841 174.024 174.900 -0.059 0.000 1.204 272 G CA -0.966 44.269 45.100 0.225 0.000 1.063 272 G HN 0.379 nan 8.290 nan 0.000 0.586 273 F N 2.705 122.695 119.950 0.066 0.000 2.450 273 F HA 0.440 4.967 4.527 -0.001 0.000 0.339 273 F C 1.595 177.370 175.800 -0.042 0.000 1.146 273 F CA 0.780 58.767 58.000 -0.022 0.000 1.267 273 F CB 0.486 39.448 39.000 -0.063 0.000 1.178 273 F HN 0.521 nan 8.300 nan 0.000 0.585 274 N N 0.138 118.906 118.700 0.113 0.000 2.721 274 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 274 N C -0.233 175.253 175.510 -0.039 0.000 1.072 274 N CA 0.715 53.781 53.050 0.027 0.000 0.710 274 N CB -1.270 37.235 38.487 0.031 0.000 0.993 274 N HN 0.466 nan 8.380 nan 0.000 0.547 275 S N 0.847 116.503 115.700 -0.073 0.000 2.564 275 S HA 0.249 4.718 4.470 -0.000 0.000 0.278 275 S C 1.174 175.680 174.600 -0.156 0.000 1.333 275 S CA -0.331 57.782 58.200 -0.146 0.000 1.048 275 S CB 0.531 63.633 63.200 -0.163 0.000 0.900 275 S HN 0.428 nan 8.310 nan 0.000 0.505 276 N N 1.935 120.509 118.700 -0.211 0.000 2.275 276 N HA 0.036 4.775 4.740 -0.000 0.000 0.236 276 N C 0.859 176.250 175.510 -0.198 0.000 1.154 276 N CA 0.216 53.161 53.050 -0.175 0.000 0.866 276 N CB -0.239 38.157 38.487 -0.152 0.000 1.093 276 N HN 0.593 nan 8.380 nan 0.000 0.515 277 T N -4.061 110.349 114.554 -0.241 0.000 3.043 277 T HA -0.030 4.320 4.350 -0.000 0.000 0.263 277 T C 0.521 175.144 174.700 -0.128 0.000 1.094 277 T CA 0.544 62.516 62.100 -0.213 0.000 1.127 277 T CB -0.372 68.363 68.868 -0.221 0.000 0.905 277 T HN 0.169 nan 8.240 nan 0.000 0.490 278 D N 0.964 121.287 120.400 -0.128 0.000 2.837 278 D HA -0.147 4.493 4.640 -0.000 0.000 0.230 278 D C -0.816 175.398 176.300 -0.144 0.000 1.152 278 D CA 0.469 54.406 54.000 -0.106 0.000 0.736 278 D CB -0.737 40.024 40.800 -0.066 0.000 1.084 278 D HN 0.386 nan 8.370 nan 0.000 0.429 279 R N 0.252 120.608 120.500 -0.239 0.000 2.476 279 R HA 0.226 4.566 4.340 -0.000 0.000 0.305 279 R C 1.099 177.091 176.300 -0.513 0.000 0.965 279 R CA -0.155 55.649 56.100 -0.494 0.000 0.867 279 R CB 1.440 31.186 30.300 -0.922 0.000 1.176 279 R HN 0.111 nan 8.270 nan 0.000 0.447 280 D N 2.853 123.042 120.400 -0.351 0.000 2.149 280 D HA -0.223 4.417 4.640 -0.000 0.000 0.198 280 D C 1.368 177.566 176.300 -0.170 0.000 0.990 280 D CA 1.498 55.390 54.000 -0.180 0.000 0.839 280 D CB -0.392 40.382 40.800 -0.044 0.000 0.948 280 D HN 0.587 nan 8.370 nan 0.000 0.460 281 F N -1.508 118.352 119.950 -0.149 0.000 2.604 281 F HA 0.168 4.695 4.527 -0.001 0.000 0.298 281 F C 1.524 177.238 175.800 -0.143 0.000 1.131 281 F CA -0.064 57.840 58.000 -0.161 0.000 1.457 281 F CB -1.009 37.843 39.000 -0.246 0.000 1.095 281 F HN -0.075 nan 8.300 nan 0.000 0.574 282 Y N 0.287 120.344 120.300 -0.406 0.000 2.507 282 Y HA 0.289 4.839 4.550 -0.000 0.000 0.254 282 Y C 0.199 175.957 175.900 -0.236 0.000 1.171 282 Y CA -0.578 57.264 58.100 -0.430 0.000 1.238 282 Y CB 0.486 38.674 38.460 -0.453 0.000 1.148 282 Y HN -0.118 nan 8.280 nan 0.000 0.525 283 T N 1.185 115.704 114.554 -0.058 0.000 2.824 283 T HA 0.682 5.032 4.350 -0.000 0.000 0.282 283 T C -0.582 174.029 174.700 -0.148 0.000 0.993 283 T CA -0.625 61.410 62.100 -0.108 0.000 0.967 283 T CB 1.524 70.314 68.868 -0.130 0.000 0.960 283 T HN 0.140 nan 8.240 nan 0.000 0.441 284 A N 1.956 124.588 122.820 -0.312 0.000 2.304 284 A HA 0.618 4.938 4.320 -0.000 0.000 0.314 284 A C 1.142 178.442 177.584 -0.474 0.000 1.187 284 A CA -0.693 51.034 52.037 -0.516 0.000 0.810 284 A CB 0.706 19.062 19.000 -1.073 0.000 1.183 284 A HN 0.876 nan 8.150 nan 0.000 0.487 285 T N -1.337 113.090 114.554 -0.211 0.000 3.037 285 T HA 0.297 4.647 4.350 -0.000 0.000 0.252 285 T C 0.248 174.984 174.700 0.060 0.000 1.073 285 T CA 0.999 63.064 62.100 -0.058 0.000 1.091 285 T CB -0.464 68.386 68.868 -0.030 0.000 0.935 285 T HN 0.806 nan 8.240 nan 0.000 0.488 286 D N -0.157 120.291 120.400 0.080 0.000 2.692 286 D HA 0.321 4.961 4.640 -0.000 0.000 0.303 286 D C 0.824 177.288 176.300 0.274 0.000 1.278 286 D CA -0.181 53.956 54.000 0.229 0.000 0.852 286 D CB 0.699 41.569 40.800 0.117 0.000 1.375 286 D HN -0.043 nan 8.370 nan 0.000 0.453 287 S N -0.908 114.943 115.700 0.252 0.000 2.547 287 S HA -0.100 4.369 4.470 -0.000 0.000 0.235 287 S C 1.501 176.285 174.600 0.308 0.000 0.980 287 S CA 1.039 59.405 58.200 0.277 0.000 0.941 287 S CB -0.819 62.473 63.200 0.153 0.000 0.763 287 S HN 0.626 nan 8.310 nan 0.000 0.532 288 S N 0.335 116.151 115.700 0.193 0.000 2.528 288 S HA 0.230 4.700 4.470 -0.000 0.000 0.219 288 S C 0.443 175.117 174.600 0.123 0.000 0.985 288 S CA -0.383 57.906 58.200 0.149 0.000 0.914 288 S CB -0.207 63.056 63.200 0.104 0.000 0.776 288 S HN 0.198 nan 8.310 nan 0.000 0.526 289 K N 2.705 123.176 120.400 0.119 0.000 2.276 289 K HA 0.616 4.935 4.320 -0.000 0.000 0.283 289 K C -0.167 176.447 176.600 0.023 0.000 1.044 289 K CA -0.088 56.219 56.287 0.033 0.000 0.944 289 K CB 0.967 33.450 32.500 -0.029 0.000 1.012 289 K HN 0.307 nan 8.250 nan 0.000 0.472 290 A N 4.178 126.883 122.820 -0.191 0.000 2.309 290 A HA 0.531 4.851 4.320 -0.000 0.000 0.298 290 A C -0.318 177.156 177.584 -0.184 0.000 1.165 290 A CA -0.646 51.201 52.037 -0.316 0.000 0.821 290 A CB 0.243 18.756 19.000 -0.812 0.000 1.102 290 A HN 0.658 nan 8.150 nan 0.000 0.500 291 L N 2.798 123.921 121.223 -0.166 0.000 2.296 291 L HA 0.544 4.884 4.340 -0.000 0.000 0.286 291 L C -0.794 175.915 176.870 -0.269 0.000 1.023 291 L CA -0.073 54.714 54.840 -0.088 0.000 0.812 291 L CB 1.280 43.334 42.059 -0.009 0.000 1.223 291 L HN 0.584 nan 8.230 nan 0.000 0.421 292 I N 5.018 125.495 120.570 -0.155 0.000 2.503 292 I HA 0.426 4.595 4.170 -0.000 0.000 0.282 292 I C -0.935 175.162 176.117 -0.034 0.000 1.059 292 I CA -0.408 60.706 61.300 -0.310 0.000 1.081 292 I CB 1.033 38.807 38.000 -0.376 0.000 1.210 292 I HN 0.414 nan 8.210 nan 0.000 0.450 293 F N 3.029 122.929 119.950 -0.083 0.000 2.713 293 F HA 0.704 5.231 4.527 -0.000 0.000 0.311 293 F C -1.079 174.745 175.800 0.041 0.000 1.141 293 F CA -1.201 56.819 58.000 0.033 0.000 0.939 293 F CB 1.617 40.768 39.000 0.252 0.000 1.325 293 F HN 0.133 nan 8.300 nan 0.000 0.453 294 S N 1.814 117.765 115.700 0.419 0.000 2.596 294 S HA 0.584 5.054 4.470 -0.000 0.000 0.318 294 S C -1.420 173.479 174.600 0.499 0.000 1.097 294 S CA -0.628 57.750 58.200 0.295 0.000 1.080 294 S CB 1.072 64.330 63.200 0.096 0.000 0.991 294 S HN 1.123 nan 8.310 nan 0.000 0.471 295 V N 7.964 128.162 119.914 0.473 0.000 2.508 295 V HA 0.428 4.547 4.120 -0.000 0.000 0.281 295 V C -0.413 175.819 176.094 0.230 0.000 1.041 295 V CA -0.466 61.964 62.300 0.218 0.000 1.016 295 V CB 0.627 32.284 31.823 -0.277 0.000 0.984 295 V HN 0.911 nan 8.190 nan 0.000 0.478 296 W N 7.803 129.176 121.300 0.121 0.000 2.478 296 W HA 0.549 5.208 4.660 -0.001 0.000 0.318 296 W C -1.198 175.364 176.519 0.072 0.000 1.062 296 W CA -0.660 56.746 57.345 0.101 0.000 1.210 296 W CB 1.604 31.164 29.460 0.167 0.000 1.325 296 W HN 0.670 nan 8.180 nan 0.000 0.496 297 D N 3.878 123.775 120.400 -0.839 0.000 2.966 297 D HA 0.341 4.981 4.640 -0.000 0.000 0.222 297 D C -0.475 175.328 176.300 -0.827 0.000 1.292 297 D CA -0.213 53.426 54.000 -0.601 0.000 0.907 297 D CB 2.278 42.917 40.800 -0.269 0.000 1.621 297 D HN 0.436 nan 8.370 nan 0.000 0.557 298 A N 2.037 124.515 122.820 -0.570 0.000 2.387 298 A HA 0.643 4.963 4.320 -0.000 0.000 0.234 298 A C 0.785 178.253 177.584 -0.195 0.000 1.253 298 A CA 0.667 52.460 52.037 -0.406 0.000 0.894 298 A CB 0.209 19.120 19.000 -0.148 0.000 0.963 298 A HN 0.661 nan 8.150 nan 0.000 0.508 299 G N -2.978 105.721 108.800 -0.169 0.000 2.325 299 G HA2 0.603 4.562 3.960 -0.000 0.000 0.297 299 G HA3 0.603 4.562 3.960 -0.000 0.000 0.297 299 G C -0.036 174.814 174.900 -0.083 0.000 1.448 299 G CA 0.227 45.266 45.100 -0.102 0.000 0.838 299 G HN 1.965 nan 8.290 nan 0.000 0.579 300 G N -1.532 107.229 108.800 -0.064 0.000 2.685 300 G HA2 0.374 4.334 3.960 -0.000 0.000 0.387 300 G HA3 0.374 4.334 3.960 -0.000 0.000 0.387 300 G C -0.287 174.578 174.900 -0.057 0.000 1.324 300 G CA 0.141 45.208 45.100 -0.055 0.000 0.878 300 G HN 1.599 nan 8.290 nan 0.000 0.527 301 T N 2.379 116.902 114.554 -0.051 0.000 2.743 301 T HA 0.591 4.941 4.350 -0.000 0.000 0.292 301 T C -0.595 174.075 174.700 -0.050 0.000 0.972 301 T CA -0.371 61.699 62.100 -0.050 0.000 0.967 301 T CB 1.004 69.848 68.868 -0.041 0.000 0.926 301 T HN 0.548 nan 8.240 nan 0.000 0.459 302 D N 2.199 122.568 120.400 -0.051 0.000 2.350 302 D HA 0.544 5.184 4.640 -0.000 0.000 0.238 302 D C -0.447 175.837 176.300 -0.026 0.000 0.989 302 D CA -0.469 53.520 54.000 -0.019 0.000 0.921 302 D CB 2.169 42.988 40.800 0.032 0.000 1.297 302 D HN 0.307 nan 8.370 nan 0.000 0.490 303 T N 0.651 115.225 114.554 0.033 0.000 2.886 303 T HA 0.343 4.693 4.350 -0.000 0.000 0.292 303 T C -0.300 174.516 174.700 0.193 0.000 1.012 303 T CA -0.543 61.577 62.100 0.032 0.000 0.982 303 T CB 0.916 69.781 68.868 -0.004 0.000 1.018 303 T HN 0.167 nan 8.240 nan 0.000 0.451 304 F N 2.806 122.669 119.950 -0.143 0.000 2.368 304 F HA 0.198 4.724 4.527 -0.000 0.000 0.362 304 F C 0.652 176.078 175.800 -0.624 0.000 1.137 304 F CA -0.829 56.897 58.000 -0.458 0.000 1.161 304 F CB 0.624 39.303 39.000 -0.535 0.000 1.265 304 F HN 0.453 nan 8.300 nan 0.000 0.530 305 D N 5.526 125.741 120.400 -0.309 0.000 2.467 305 D HA 0.134 4.773 4.640 -0.000 0.000 0.220 305 D C -0.435 175.892 176.300 0.046 0.000 1.103 305 D CA -0.318 53.611 54.000 -0.118 0.000 0.886 305 D CB 0.296 41.113 40.800 0.029 0.000 1.025 305 D HN 0.210 nan 8.370 nan 0.000 0.514 306 F N 1.505 121.621 119.950 0.276 0.000 2.923 306 F HA 0.106 4.633 4.527 -0.000 0.000 0.314 306 F C 2.157 178.027 175.800 0.116 0.000 1.196 306 F CA -0.609 57.600 58.000 0.348 0.000 1.320 306 F CB -0.265 38.950 39.000 0.358 0.000 0.953 306 F HN 0.252 nan 8.300 nan 0.000 0.505 307 S N -1.134 114.592 115.700 0.042 0.000 2.481 307 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 307 S C 2.135 176.444 174.600 -0.486 0.000 0.996 307 S CA 0.932 59.033 58.200 -0.166 0.000 0.942 307 S CB -0.478 62.632 63.200 -0.150 0.000 0.768 307 S HN 0.396 nan 8.310 nan 0.000 0.520 308 G N -0.521 107.502 108.800 -1.294 0.000 2.920 308 G HA2 0.226 4.186 3.960 -0.000 0.000 0.208 308 G HA3 0.226 4.186 3.960 -0.000 0.000 0.208 308 G C 0.025 174.483 174.900 -0.737 0.000 1.159 308 G CA -0.301 43.860 45.100 -1.566 0.000 0.784 308 G HN 0.563 nan 8.290 nan 0.000 0.535 309 Y N 0.246 120.425 120.300 -0.200 0.000 2.376 309 Y HA 0.332 4.882 4.550 -0.001 0.000 0.325 309 Y C 1.533 177.418 175.900 -0.026 0.000 1.199 309 Y CA -0.505 57.589 58.100 -0.012 0.000 1.206 309 Y CB 2.038 40.545 38.460 0.078 0.000 1.229 309 Y HN 0.075 nan 8.280 nan 0.000 0.480 310 S N -0.816 114.989 115.700 0.175 0.000 2.524 310 S HA 0.111 4.580 4.470 -0.000 0.000 0.215 310 S C 0.028 174.669 174.600 0.069 0.000 0.986 310 S CA -0.533 57.718 58.200 0.086 0.000 0.911 310 S CB -0.267 62.966 63.200 0.054 0.000 0.805 310 S HN 0.618 nan 8.310 nan 0.000 0.501 311 N N 3.258 122.000 118.700 0.070 0.000 2.453 311 N HA 0.098 4.838 4.740 -0.000 0.000 0.253 311 N C -0.878 174.645 175.510 0.022 0.000 1.252 311 N CA -0.024 53.034 53.050 0.014 0.000 0.917 311 N CB 0.153 38.607 38.487 -0.055 0.000 1.117 311 N HN 0.253 nan 8.380 nan 0.000 0.442 312 N N 2.023 120.727 118.700 0.006 0.000 2.452 312 N HA 0.035 4.775 4.740 -0.000 0.000 0.266 312 N C -0.167 175.347 175.510 0.006 0.000 1.175 312 N CA 0.344 53.402 53.050 0.013 0.000 0.945 312 N CB 0.672 39.162 38.487 0.005 0.000 1.063 312 N HN 0.425 nan 8.380 nan 0.000 0.472 313 Q N 1.027 120.846 119.800 0.033 0.000 2.348 313 Q HA 0.467 4.807 4.340 -0.000 0.000 0.271 313 Q C -0.319 175.714 176.000 0.055 0.000 1.067 313 Q CA -0.822 55.000 55.803 0.031 0.000 0.839 313 Q CB 2.740 31.524 28.738 0.077 0.000 1.354 313 Q HN 0.370 nan 8.270 nan 0.000 0.447 314 R N 2.256 122.785 120.500 0.049 0.000 2.388 314 R HA 0.464 4.804 4.340 -0.000 0.000 0.314 314 R C -1.450 174.923 176.300 0.122 0.000 0.959 314 R CA -0.300 55.845 56.100 0.075 0.000 0.851 314 R CB 0.514 30.844 30.300 0.049 0.000 1.168 314 R HN 0.630 nan 8.270 nan 0.000 0.472 315 I N 3.879 124.558 120.570 0.182 0.000 2.355 315 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 315 I C -0.434 175.826 176.117 0.238 0.000 0.999 315 I CA -0.865 60.607 61.300 0.287 0.000 1.163 315 I CB 1.647 39.885 38.000 0.397 0.000 1.316 315 I HN 0.450 nan 8.210 nan 0.000 0.454 316 N N 6.884 125.728 118.700 0.240 0.000 2.407 316 N HA 0.391 5.131 4.740 -0.000 0.000 0.277 316 N C 0.025 175.621 175.510 0.143 0.000 0.995 316 N CA -0.448 52.702 53.050 0.168 0.000 0.903 316 N CB 1.937 40.506 38.487 0.137 0.000 1.218 316 N HN 0.596 nan 8.380 nan 0.000 0.487 317 L N 1.571 122.835 121.223 0.069 0.000 2.592 317 L HA 0.206 4.546 4.340 -0.000 0.000 0.227 317 L C 0.442 177.290 176.870 -0.038 0.000 1.127 317 L CA -0.019 54.790 54.840 -0.052 0.000 0.884 317 L CB -0.211 41.798 42.059 -0.083 0.000 1.065 317 L HN 0.394 nan 8.230 nan 0.000 0.457 318 N N 2.187 120.902 118.700 0.026 0.000 2.483 318 N HA -0.042 4.698 4.740 -0.000 0.000 0.264 318 N C 0.165 175.686 175.510 0.018 0.000 1.197 318 N CA 0.244 53.313 53.050 0.033 0.000 0.927 318 N CB 0.795 39.321 38.487 0.065 0.000 1.065 318 N HN 0.228 nan 8.380 nan 0.000 0.461 319 E N 0.906 121.117 120.200 0.018 0.000 2.652 319 E HA -0.057 4.293 4.350 -0.000 0.000 0.255 319 E C 0.866 177.502 176.600 0.061 0.000 0.952 319 E CA 0.669 57.086 56.400 0.029 0.000 0.947 319 E CB 0.046 29.784 29.700 0.062 0.000 0.912 319 E HN 0.799 nan 8.360 nan 0.000 0.489 320 G N 3.156 111.948 108.800 -0.013 0.000 2.179 320 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.260 320 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.260 320 G C 0.174 175.065 174.900 -0.016 0.000 0.977 320 G CA 0.529 45.605 45.100 -0.040 0.000 0.641 320 G HN 0.915 nan 8.290 nan 0.000 0.533 321 S N -0.571 115.118 115.700 -0.017 0.000 2.687 321 S HA 0.835 5.305 4.470 -0.000 0.000 0.283 321 S C -0.302 174.263 174.600 -0.059 0.000 1.170 321 S CA -0.798 57.445 58.200 0.071 0.000 1.008 321 S CB 1.735 64.997 63.200 0.104 0.000 1.026 321 S HN 0.419 nan 8.310 nan 0.000 0.541 322 F N 0.742 120.727 119.950 0.058 0.000 2.458 322 F HA 0.621 5.148 4.527 -0.000 0.000 0.330 322 F C 0.756 176.580 175.800 0.040 0.000 1.082 322 F CA -0.391 57.633 58.000 0.039 0.000 0.995 322 F CB 2.265 41.279 39.000 0.024 0.000 1.170 322 F HN 0.609 nan 8.300 nan 0.000 0.478 323 S N 0.700 116.495 115.700 0.158 0.000 2.566 323 S HA 0.455 4.925 4.470 -0.000 0.000 0.298 323 S C -1.575 173.027 174.600 0.004 0.000 1.083 323 S CA -0.920 57.333 58.200 0.089 0.000 0.978 323 S CB 1.507 64.764 63.200 0.095 0.000 1.073 323 S HN 0.365 nan 8.310 nan 0.000 0.491 324 D N 2.069 122.457 120.400 -0.020 0.000 2.454 324 D HA 0.456 5.096 4.640 -0.000 0.000 0.225 324 D C -0.915 175.286 176.300 -0.165 0.000 1.081 324 D CA -0.069 53.886 54.000 -0.076 0.000 0.864 324 D CB 1.323 42.102 40.800 -0.034 0.000 1.040 324 D HN 0.101 nan 8.370 nan 0.000 0.517 325 V N 0.562 120.290 119.914 -0.310 0.000 2.604 325 V HA 0.602 4.721 4.120 -0.000 0.000 0.305 325 V C 1.144 176.877 176.094 -0.602 0.000 1.043 325 V CA -0.678 61.327 62.300 -0.491 0.000 0.888 325 V CB 1.815 33.120 31.823 -0.863 0.000 0.995 325 V HN 0.790 nan 8.190 nan 0.000 0.429 326 G N 3.061 111.372 108.800 -0.815 0.000 2.283 326 G HA2 0.039 3.999 3.960 -0.000 0.000 0.280 326 G HA3 0.039 3.999 3.960 -0.000 0.000 0.280 326 G C 1.185 175.718 174.900 -0.612 0.000 1.029 326 G CA 0.926 45.212 45.100 -1.358 0.000 0.840 326 G HN 2.379 nan 8.290 nan 0.000 0.505 327 G N -2.915 105.678 108.800 -0.345 0.000 2.176 327 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.253 327 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.253 327 G C 0.327 175.139 174.900 -0.148 0.000 0.979 327 G CA 0.782 45.768 45.100 -0.191 0.000 0.641 327 G HN 1.233 nan 8.290 nan 0.000 0.530 328 L N -0.036 121.076 121.223 -0.185 0.000 2.416 328 L HA 0.747 5.086 4.340 -0.000 0.000 0.263 328 L C 0.632 177.468 176.870 -0.057 0.000 1.065 328 L CA -0.544 54.242 54.840 -0.090 0.000 0.798 328 L CB 1.027 43.026 42.059 -0.100 0.000 1.267 328 L HN 0.111 nan 8.230 nan 0.000 0.467 329 K N -0.180 120.239 120.400 0.032 0.000 2.292 329 K HA 0.536 4.856 4.320 -0.000 0.000 0.257 329 K C 0.276 176.947 176.600 0.119 0.000 0.940 329 K CA -0.114 56.191 56.287 0.030 0.000 0.811 329 K CB 1.485 33.982 32.500 -0.005 0.000 1.120 329 K HN 0.744 nan 8.250 nan 0.000 0.428 330 G N 2.521 111.378 108.800 0.095 0.000 2.225 330 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 330 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 330 G C 0.461 175.526 174.900 0.274 0.000 1.024 330 G CA 0.766 45.988 45.100 0.203 0.000 0.784 330 G HN 0.838 nan 8.290 nan 0.000 0.507 331 N N -1.007 117.694 118.700 0.002 0.000 2.446 331 N HA 0.087 4.827 4.740 -0.000 0.000 0.179 331 N C 0.500 175.745 175.510 -0.441 0.000 1.054 331 N CA 0.882 53.705 53.050 -0.379 0.000 0.905 331 N CB 0.444 38.590 38.487 -0.569 0.000 0.973 331 N HN 0.406 nan 8.380 nan 0.000 0.448 332 V N 1.044 120.731 119.914 -0.378 0.000 2.604 332 V HA 0.540 4.659 4.120 -0.000 0.000 0.305 332 V C -0.309 175.583 176.094 -0.337 0.000 1.043 332 V CA -0.698 61.242 62.300 -0.600 0.000 0.888 332 V CB 1.751 33.078 31.823 -0.826 0.000 0.995 332 V HN 0.482 nan 8.190 nan 0.000 0.429 333 S N 4.839 120.326 115.700 -0.355 0.000 2.618 333 S HA 0.778 5.247 4.470 -0.000 0.000 0.277 333 S C -1.124 173.412 174.600 -0.105 0.000 1.138 333 S CA -0.826 57.106 58.200 -0.446 0.000 0.844 333 S CB 1.975 64.509 63.200 -1.110 0.000 1.127 333 S HN 0.451 nan 8.310 nan 0.000 0.474 334 I N 1.848 122.344 120.570 -0.123 0.000 2.362 334 I HA 0.557 4.727 4.170 -0.000 0.000 0.289 334 I C 0.682 176.738 176.117 -0.102 0.000 0.994 334 I CA -0.862 60.428 61.300 -0.017 0.000 1.158 334 I CB 1.515 39.498 38.000 -0.029 0.000 1.315 334 I HN 0.963 nan 8.210 nan 0.000 0.451 335 A N 5.253 128.070 122.820 -0.005 0.000 2.466 335 A HA 0.179 4.498 4.320 -0.000 0.000 0.238 335 A C -0.188 177.403 177.584 0.011 0.000 1.074 335 A CA -0.001 52.028 52.037 -0.013 0.000 0.774 335 A CB -0.212 18.939 19.000 0.252 0.000 1.015 335 A HN 0.760 nan 8.150 nan 0.000 0.498 336 H N -0.175 118.999 119.070 0.173 0.000 3.001 336 H HA 0.345 4.901 4.556 -0.000 0.000 0.334 336 H C 1.421 176.899 175.328 0.250 0.000 1.034 336 H CA 1.120 57.265 56.048 0.162 0.000 1.420 336 H CB 0.445 30.285 29.762 0.131 0.000 1.405 336 H HN 1.258 nan 8.280 nan 0.000 0.593 337 G N 1.705 110.683 108.800 0.296 0.000 2.157 337 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.239 337 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.239 337 G C -0.247 174.720 174.900 0.111 0.000 0.982 337 G CA 0.074 45.333 45.100 0.264 0.000 0.650 337 G HN 0.571 nan 8.290 nan 0.000 0.527 338 V N 0.997 120.939 119.914 0.046 0.000 2.555 338 V HA 0.719 4.839 4.120 -0.000 0.000 0.302 338 V C 0.154 176.188 176.094 -0.100 0.000 1.038 338 V CA -0.257 61.973 62.300 -0.117 0.000 0.887 338 V CB 1.989 33.728 31.823 -0.139 0.000 0.991 338 V HN 0.248 nan 8.190 nan 0.000 0.434 339 T N 6.094 120.568 114.554 -0.134 0.000 2.772 339 T HA 0.555 4.905 4.350 -0.000 0.000 0.288 339 T C -0.356 174.243 174.700 -0.169 0.000 0.994 339 T CA -0.260 61.767 62.100 -0.121 0.000 0.951 339 T CB 0.540 69.358 68.868 -0.084 0.000 0.933 339 T HN 0.274 nan 8.240 nan 0.000 0.447 340 I N 3.420 123.857 120.570 -0.223 0.000 2.359 340 I HA 0.371 4.541 4.170 -0.000 0.000 0.294 340 I C 0.911 176.892 176.117 -0.227 0.000 0.987 340 I CA -0.590 60.530 61.300 -0.301 0.000 1.225 340 I CB 1.698 39.326 38.000 -0.619 0.000 1.366 340 I HN 0.630 nan 8.210 nan 0.000 0.466 341 E N 3.190 123.290 120.200 -0.166 0.000 2.201 341 E HA 0.106 4.456 4.350 -0.000 0.000 0.193 341 E C -0.236 176.317 176.600 -0.077 0.000 0.957 341 E CA 0.704 57.044 56.400 -0.100 0.000 0.858 341 E CB 0.333 29.994 29.700 -0.066 0.000 0.816 341 E HN 0.527 nan 8.360 nan 0.000 0.475 342 N N -0.304 118.344 118.700 -0.086 0.000 2.328 342 N HA 0.684 5.424 4.740 -0.000 0.000 0.299 342 N C -1.224 174.266 175.510 -0.034 0.000 1.179 342 N CA -0.572 52.458 53.050 -0.034 0.000 0.793 342 N CB 2.117 40.595 38.487 -0.014 0.000 1.366 342 N HN 0.028 nan 8.380 nan 0.000 0.493 343 A N 0.667 123.500 122.820 0.021 0.000 2.515 343 A HA 0.766 5.086 4.320 -0.000 0.000 0.298 343 A C -1.259 176.362 177.584 0.062 0.000 1.059 343 A CA -0.587 51.481 52.037 0.051 0.000 0.698 343 A CB 1.036 20.103 19.000 0.111 0.000 1.289 343 A HN 0.572 nan 8.150 nan 0.000 0.404 344 I N 2.220 122.815 120.570 0.042 0.000 2.439 344 I HA 0.484 4.654 4.170 -0.000 0.000 0.285 344 I C 0.842 177.028 176.117 0.114 0.000 1.021 344 I CA -0.601 60.733 61.300 0.058 0.000 1.091 344 I CB 1.925 39.934 38.000 0.014 0.000 1.242 344 I HN 0.791 nan 8.210 nan 0.000 0.439 345 G N 3.577 112.458 108.800 0.134 0.000 2.588 345 G HA2 0.610 4.570 3.960 -0.000 0.000 0.281 345 G HA3 0.610 4.570 3.960 -0.000 0.000 0.281 345 G C 0.188 175.161 174.900 0.121 0.000 1.236 345 G CA -0.120 45.082 45.100 0.170 0.000 0.969 345 G HN 0.697 nan 8.290 nan 0.000 0.504 346 G N -1.555 107.321 108.800 0.127 0.000 2.857 346 G HA2 0.400 4.360 3.960 -0.000 0.000 0.217 346 G HA3 0.400 4.360 3.960 -0.000 0.000 0.217 346 G C 1.261 176.185 174.900 0.040 0.000 1.357 346 G CA 0.746 45.883 45.100 0.062 0.000 1.033 346 G HN 1.111 nan 8.290 nan 0.000 0.571 347 S N -1.042 114.671 115.700 0.022 0.000 2.603 347 S HA 0.250 4.720 4.470 -0.000 0.000 0.220 347 S C 1.241 175.856 174.600 0.026 0.000 0.967 347 S CA 0.385 58.594 58.200 0.015 0.000 0.920 347 S CB -0.267 62.933 63.200 0.000 0.000 0.773 347 S HN 0.834 nan 8.310 nan 0.000 0.529 348 G N 1.422 110.248 108.800 0.042 0.000 2.616 348 G HA2 0.353 4.313 3.960 -0.000 0.000 0.268 348 G HA3 0.353 4.313 3.960 -0.000 0.000 0.268 348 G C -0.466 174.452 174.900 0.030 0.000 1.213 348 G CA -0.881 44.241 45.100 0.036 0.000 0.926 348 G HN 0.346 nan 8.290 nan 0.000 0.523 349 N N 1.680 120.392 118.700 0.021 0.000 2.439 349 N HA 0.191 4.931 4.740 -0.000 0.000 0.243 349 N C -0.794 174.729 175.510 0.022 0.000 1.088 349 N CA 0.037 53.095 53.050 0.014 0.000 0.940 349 N CB 1.106 39.597 38.487 0.005 0.000 1.180 349 N HN 0.369 nan 8.380 nan 0.000 0.505 350 D N 1.343 121.761 120.400 0.031 0.000 2.326 350 D HA 0.475 5.115 4.640 -0.000 0.000 0.248 350 D C 0.442 176.768 176.300 0.042 0.000 1.001 350 D CA -0.320 53.710 54.000 0.050 0.000 0.961 350 D CB 2.018 42.868 40.800 0.083 0.000 1.183 350 D HN 0.259 nan 8.370 nan 0.000 0.502 351 I N 1.268 121.872 120.570 0.057 0.000 2.389 351 I HA 0.210 4.379 4.170 -0.000 0.000 0.288 351 I C -0.970 175.203 176.117 0.093 0.000 0.999 351 I CA -0.748 60.586 61.300 0.057 0.000 1.129 351 I CB 1.297 39.320 38.000 0.039 0.000 1.288 351 I HN -0.051 nan 8.210 nan 0.000 0.444 352 L N 7.683 128.968 121.223 0.103 0.000 2.298 352 L HA 0.467 4.807 4.340 -0.000 0.000 0.284 352 L C -0.334 176.627 176.870 0.151 0.000 1.013 352 L CA -0.471 54.451 54.840 0.136 0.000 0.824 352 L CB 1.720 43.861 42.059 0.138 0.000 1.221 352 L HN 0.250 nan 8.230 nan 0.000 0.418 353 V N 3.166 123.174 119.914 0.156 0.000 2.334 353 V HA 0.659 4.779 4.120 -0.000 0.000 0.281 353 V C 0.847 177.050 176.094 0.183 0.000 1.016 353 V CA -0.635 61.782 62.300 0.195 0.000 0.832 353 V CB 1.066 32.961 31.823 0.120 0.000 0.999 353 V HN 0.829 nan 8.190 nan 0.000 0.439 354 G N 4.274 113.195 108.800 0.202 0.000 2.588 354 G HA2 0.422 4.382 3.960 -0.000 0.000 0.278 354 G HA3 0.422 4.382 3.960 -0.000 0.000 0.278 354 G C -0.140 174.829 174.900 0.116 0.000 1.307 354 G CA -0.360 44.806 45.100 0.111 0.000 1.016 354 G HN 0.819 nan 8.290 nan 0.000 0.503 355 N N -3.183 115.551 118.700 0.057 0.000 3.184 355 N HA 0.296 5.036 4.740 -0.000 0.000 0.353 355 N C 1.090 176.622 175.510 0.037 0.000 1.441 355 N CA 0.078 53.162 53.050 0.056 0.000 0.723 355 N CB 0.577 39.077 38.487 0.022 0.000 1.547 355 N HN 0.388 nan 8.380 nan 0.000 0.624 356 S N -2.084 113.635 115.700 0.033 0.000 2.515 356 S HA 0.256 4.726 4.470 -0.000 0.000 0.231 356 S C 0.934 175.538 174.600 0.005 0.000 0.987 356 S CA -0.078 58.136 58.200 0.024 0.000 0.936 356 S CB -0.839 62.380 63.200 0.030 0.000 0.766 356 S HN 0.825 nan 8.310 nan 0.000 0.528 357 A N 1.649 124.467 122.820 -0.004 0.000 2.280 357 A HA 0.438 4.758 4.320 -0.000 0.000 0.268 357 A C -0.277 177.297 177.584 -0.016 0.000 1.111 357 A CA -0.537 51.491 52.037 -0.015 0.000 0.814 357 A CB -0.019 18.965 19.000 -0.026 0.000 1.093 357 A HN 0.321 nan 8.150 nan 0.000 0.498 358 D N 1.179 121.568 120.400 -0.019 0.000 2.338 358 D HA 0.279 4.919 4.640 -0.000 0.000 0.255 358 D C -0.587 175.709 176.300 -0.006 0.000 1.237 358 D CA 0.643 54.633 54.000 -0.016 0.000 0.883 358 D CB 0.105 40.892 40.800 -0.021 0.000 1.087 358 D HN 0.478 nan 8.370 nan 0.000 0.485 359 N N 1.519 120.223 118.700 0.007 0.000 2.361 359 N HA 0.498 5.238 4.740 -0.000 0.000 0.302 359 N C -0.412 175.130 175.510 0.054 0.000 1.074 359 N CA -0.667 52.395 53.050 0.019 0.000 0.850 359 N CB 2.033 40.532 38.487 0.020 0.000 1.228 359 N HN 0.239 nan 8.380 nan 0.000 0.491 360 I N 2.503 123.112 120.570 0.066 0.000 2.330 360 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 360 I C -0.804 175.395 176.117 0.136 0.000 1.001 360 I CA -0.488 60.887 61.300 0.126 0.000 1.193 360 I CB 0.670 38.744 38.000 0.123 0.000 1.345 360 I HN 0.282 nan 8.210 nan 0.000 0.461 361 L N 6.949 128.287 121.223 0.191 0.000 2.313 361 L HA 0.514 4.853 4.340 -0.000 0.000 0.283 361 L C -0.542 176.482 176.870 0.257 0.000 1.013 361 L CA -0.594 54.356 54.840 0.185 0.000 0.816 361 L CB 1.588 43.749 42.059 0.171 0.000 1.236 361 L HN 0.554 nan 8.230 nan 0.000 0.419 362 Q N 1.489 121.403 119.800 0.191 0.000 2.327 362 Q HA 0.284 4.624 4.340 -0.000 0.000 0.270 362 Q C 0.800 176.886 176.000 0.145 0.000 1.022 362 Q CA -0.397 55.521 55.803 0.192 0.000 0.773 362 Q CB 2.319 31.105 28.738 0.080 0.000 1.251 362 Q HN 0.876 nan 8.270 nan 0.000 0.457 363 G N 1.912 110.803 108.800 0.153 0.000 2.448 363 G HA2 0.215 4.175 3.960 -0.000 0.000 0.218 363 G HA3 0.215 4.175 3.960 -0.000 0.000 0.218 363 G C 0.729 175.675 174.900 0.077 0.000 1.135 363 G CA 0.570 45.730 45.100 0.099 0.000 0.784 363 G HN 0.936 nan 8.290 nan 0.000 0.543 364 G N -0.564 108.279 108.800 0.073 0.000 2.693 364 G HA2 0.276 4.236 3.960 -0.000 0.000 0.226 364 G HA3 0.276 4.236 3.960 -0.000 0.000 0.226 364 G C 0.460 175.381 174.900 0.036 0.000 1.354 364 G CA -0.006 45.118 45.100 0.042 0.000 0.873 364 G HN 1.389 nan 8.290 nan 0.000 0.562 365 A N -0.720 122.111 122.820 0.019 0.000 2.346 365 A HA 0.896 5.216 4.320 -0.000 0.000 0.255 365 A C 1.844 179.437 177.584 0.014 0.000 1.113 365 A CA 1.975 54.021 52.037 0.014 0.000 0.798 365 A CB -0.209 18.793 19.000 0.004 0.000 1.073 365 A HN 3.052 nan 8.150 nan 0.000 0.502 366 G N -0.410 108.395 108.800 0.008 0.000 2.781 366 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.683 366 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.683 366 G C -0.730 174.168 174.900 -0.003 0.000 1.390 366 G CA -0.258 44.845 45.100 0.005 0.000 0.850 366 G HN 1.050 nan 8.290 nan 0.000 0.557 367 N N 2.084 120.778 118.700 -0.009 0.000 2.500 367 N HA 0.367 5.107 4.740 -0.000 0.000 0.236 367 N C -0.710 174.781 175.510 -0.031 0.000 1.022 367 N CA -0.216 52.820 53.050 -0.025 0.000 0.935 367 N CB 1.023 39.498 38.487 -0.021 0.000 1.147 367 N HN 0.530 nan 8.380 nan 0.000 0.512 368 D N 0.530 120.897 120.400 -0.055 0.000 2.228 368 D HA 0.354 4.994 4.640 -0.000 0.000 0.247 368 D C -0.076 176.163 176.300 -0.103 0.000 0.995 368 D CA -0.415 53.553 54.000 -0.053 0.000 0.903 368 D CB 2.570 43.351 40.800 -0.033 0.000 1.205 368 D HN -0.006 nan 8.370 nan 0.000 0.459 369 V N 2.167 122.046 119.914 -0.059 0.000 2.384 369 V HA 0.307 4.427 4.120 -0.000 0.000 0.287 369 V C -0.379 175.701 176.094 -0.024 0.000 1.020 369 V CA -0.664 61.599 62.300 -0.061 0.000 0.850 369 V CB 1.301 33.118 31.823 -0.011 0.000 0.987 369 V HN 0.285 nan 8.190 nan 0.000 0.436 370 L N 5.394 126.586 121.223 -0.053 0.000 2.341 370 L HA 0.533 4.873 4.340 -0.000 0.000 0.278 370 L C -0.911 176.030 176.870 0.117 0.000 1.005 370 L CA -0.388 54.485 54.840 0.055 0.000 0.818 370 L CB 1.541 43.652 42.059 0.086 0.000 1.259 370 L HN 0.670 nan 8.230 nan 0.000 0.418 371 Y N 1.749 122.044 120.300 -0.008 0.000 2.402 371 Y HA 0.521 5.071 4.550 -0.000 0.000 0.325 371 Y C 0.910 176.791 175.900 -0.031 0.000 1.009 371 Y CA -0.581 57.484 58.100 -0.057 0.000 1.278 371 Y CB 1.787 40.228 38.460 -0.032 0.000 1.105 371 Y HN 0.660 nan 8.280 nan 0.000 0.476 372 G N 2.992 111.560 108.800 -0.386 0.000 2.448 372 G HA2 0.299 4.259 3.960 -0.000 0.000 0.218 372 G HA3 0.299 4.259 3.960 -0.000 0.000 0.218 372 G C 0.872 175.580 174.900 -0.319 0.000 1.135 372 G CA 0.599 45.559 45.100 -0.233 0.000 0.784 372 G HN 1.393 nan 8.290 nan 0.000 0.543 373 G N -0.294 108.042 108.800 -0.774 0.000 2.598 373 G HA2 0.236 4.196 3.960 -0.000 0.000 0.244 373 G HA3 0.236 4.196 3.960 -0.000 0.000 0.244 373 G C 0.515 175.319 174.900 -0.159 0.000 1.302 373 G CA 0.160 44.985 45.100 -0.458 0.000 0.903 373 G HN 1.432 nan 8.290 nan 0.000 0.575 374 A N -0.510 122.294 122.820 -0.027 0.000 2.386 374 A HA 0.837 5.157 4.320 -0.000 0.000 0.246 374 A C 1.739 179.316 177.584 -0.011 0.000 1.089 374 A CA 2.026 54.067 52.037 0.006 0.000 0.790 374 A CB -0.119 18.902 19.000 0.035 0.000 1.042 374 A HN 3.015 nan 8.150 nan 0.000 0.497 375 G N -1.757 107.037 108.800 -0.010 0.000 2.707 375 G HA2 0.439 4.398 3.960 -0.000 0.000 0.686 375 G HA3 0.439 4.398 3.960 -0.000 0.000 0.686 375 G C -0.048 174.825 174.900 -0.045 0.000 1.315 375 G CA -0.186 44.898 45.100 -0.026 0.000 0.832 375 G HN 2.269 nan 8.290 nan 0.000 0.573 376 A N 1.148 123.928 122.820 -0.067 0.000 2.391 376 A HA 0.609 4.929 4.320 -0.000 0.000 0.316 376 A C 0.152 177.713 177.584 -0.038 0.000 1.381 376 A CA -0.146 51.831 52.037 -0.100 0.000 0.998 376 A CB 0.104 18.996 19.000 -0.180 0.000 1.147 376 A HN 0.584 nan 8.150 nan 0.000 0.545 377 D N 1.377 121.774 120.400 -0.005 0.000 2.268 377 D HA 0.483 5.123 4.640 -0.000 0.000 0.249 377 D C -0.426 175.928 176.300 0.089 0.000 1.008 377 D CA 0.181 54.203 54.000 0.038 0.000 0.939 377 D CB 1.749 42.565 40.800 0.027 0.000 1.170 377 D HN 0.349 nan 8.370 nan 0.000 0.468 378 T N 1.333 115.951 114.554 0.107 0.000 2.809 378 T HA 0.477 4.827 4.350 -0.000 0.000 0.284 378 T C -0.040 174.708 174.700 0.081 0.000 0.992 378 T CA -0.582 61.582 62.100 0.107 0.000 0.957 378 T CB 0.670 69.611 68.868 0.122 0.000 0.942 378 T HN 0.087 nan 8.240 nan 0.000 0.439 379 L N 3.695 124.900 121.223 -0.030 0.000 2.333 379 L HA 0.560 4.900 4.340 -0.000 0.000 0.280 379 L C -1.282 175.546 176.870 -0.070 0.000 1.004 379 L CA -1.071 53.825 54.840 0.093 0.000 0.820 379 L CB 1.382 43.579 42.059 0.229 0.000 1.247 379 L HN 0.650 nan 8.230 nan 0.000 0.416 380 Y N 0.981 121.446 120.300 0.276 0.000 2.376 380 Y HA 0.313 4.863 4.550 -0.000 0.000 0.326 380 Y C 1.135 177.227 175.900 0.320 0.000 0.970 380 Y CA -0.591 57.661 58.100 0.253 0.000 1.248 380 Y CB 1.994 40.538 38.460 0.139 0.000 1.117 380 Y HN 0.715 nan 8.280 nan 0.000 0.476 381 G N 1.841 110.981 108.800 0.566 0.000 2.422 381 G HA2 0.287 4.246 3.960 -0.000 0.000 0.218 381 G HA3 0.287 4.246 3.960 -0.000 0.000 0.218 381 G C 0.878 175.894 174.900 0.193 0.000 1.140 381 G CA 0.575 45.867 45.100 0.321 0.000 0.775 381 G HN 1.133 nan 8.290 nan 0.000 0.545 382 G N -0.800 108.134 108.800 0.223 0.000 2.741 382 G HA2 0.313 4.273 3.960 -0.000 0.000 0.222 382 G HA3 0.313 4.273 3.960 -0.000 0.000 0.222 382 G C 0.335 175.287 174.900 0.086 0.000 1.364 382 G CA -0.152 45.029 45.100 0.136 0.000 0.866 382 G HN 1.440 nan 8.290 nan 0.000 0.555 383 A N -0.424 122.427 122.820 0.052 0.000 2.507 383 A HA 0.795 5.115 4.320 -0.000 0.000 0.235 383 A C 1.774 179.367 177.584 0.016 0.000 1.070 383 A CA 2.283 54.337 52.037 0.028 0.000 0.768 383 A CB -0.229 18.781 19.000 0.017 0.000 1.011 383 A HN 3.020 nan 8.150 nan 0.000 0.502 384 G N 0.544 109.345 108.800 0.001 0.000 2.541 384 G HA2 0.001 3.961 3.960 -0.000 0.000 0.686 384 G HA3 0.001 3.961 3.960 -0.000 0.000 0.686 384 G C -0.574 174.309 174.900 -0.027 0.000 1.286 384 G CA -0.489 44.605 45.100 -0.011 0.000 0.894 384 G HN 1.007 nan 8.290 nan 0.000 0.575 385 R N 1.274 121.754 120.500 -0.034 0.000 2.308 385 R HA 0.336 4.676 4.340 -0.000 0.000 0.325 385 R C -0.699 175.560 176.300 -0.069 0.000 1.161 385 R CA -0.560 55.512 56.100 -0.047 0.000 1.022 385 R CB 0.441 30.722 30.300 -0.032 0.000 1.091 385 R HN 0.467 nan 8.270 nan 0.000 0.497 386 D N 1.500 121.834 120.400 -0.110 0.000 2.268 386 D HA 0.269 4.909 4.640 -0.000 0.000 0.249 386 D C -0.134 175.995 176.300 -0.284 0.000 1.008 386 D CA -0.188 53.674 54.000 -0.231 0.000 0.939 386 D CB 2.178 42.778 40.800 -0.333 0.000 1.170 386 D HN 0.206 nan 8.370 nan 0.000 0.468 387 T N 1.083 115.420 114.554 -0.361 0.000 2.841 387 T HA 0.404 4.753 4.350 -0.000 0.000 0.285 387 T C -0.565 173.944 174.700 -0.319 0.000 0.991 387 T CA -0.535 61.449 62.100 -0.193 0.000 0.966 387 T CB 0.379 69.230 68.868 -0.029 0.000 0.962 387 T HN 0.086 nan 8.240 nan 0.000 0.438 388 F N 2.298 122.378 119.950 0.218 0.000 2.385 388 F HA 0.534 5.061 4.527 -0.000 0.000 0.360 388 F C 0.172 176.060 175.800 0.146 0.000 1.122 388 F CA -1.006 57.102 58.000 0.180 0.000 1.090 388 F CB 0.990 40.166 39.000 0.294 0.000 1.150 388 F HN 0.171 nan 8.300 nan 0.000 0.472 389 V N 4.141 124.108 119.914 0.089 0.000 2.427 389 V HA 0.338 4.458 4.120 -0.000 0.000 0.286 389 V C -0.866 175.113 176.094 -0.192 0.000 1.034 389 V CA -1.021 61.351 62.300 0.120 0.000 0.893 389 V CB 1.243 33.198 31.823 0.220 0.000 0.982 389 V HN 0.500 nan 8.190 nan 0.000 0.452 390 Y N 2.036 122.537 120.300 0.335 0.000 2.331 390 Y HA 0.575 5.125 4.550 -0.000 0.000 0.334 390 Y C 1.054 177.134 175.900 0.300 0.000 0.960 390 Y CA -0.510 57.795 58.100 0.343 0.000 1.130 390 Y CB 2.166 40.927 38.460 0.502 0.000 1.164 390 Y HN 0.675 nan 8.280 nan 0.000 0.458 391 G N 0.918 109.921 108.800 0.339 0.000 2.887 391 G HA2 0.301 4.260 3.960 -0.000 0.000 0.211 391 G HA3 0.301 4.260 3.960 -0.000 0.000 0.211 391 G C 0.025 174.861 174.900 -0.107 0.000 1.152 391 G CA 0.611 45.816 45.100 0.175 0.000 0.769 391 G HN 0.582 nan 8.290 nan 0.000 0.541 392 S N -2.837 112.807 115.700 -0.093 0.000 2.627 392 S HA 0.471 4.941 4.470 -0.000 0.000 0.268 392 S C 1.042 175.728 174.600 0.143 0.000 1.130 392 S CA 0.510 58.555 58.200 -0.259 0.000 0.819 392 S CB 0.814 63.975 63.200 -0.065 0.000 1.100 392 S HN 0.481 nan 8.310 nan 0.000 0.465 393 G N 0.496 109.425 108.800 0.215 0.000 2.470 393 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.220 393 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.220 393 G C 0.953 176.130 174.900 0.461 0.000 1.121 393 G CA 0.626 46.037 45.100 0.518 0.000 0.766 393 G HN 0.630 nan 8.290 nan 0.000 0.553 394 Q N 0.604 120.572 119.800 0.280 0.000 2.472 394 Q HA -0.010 4.330 4.340 -0.000 0.000 0.208 394 Q C 1.548 177.658 176.000 0.184 0.000 0.958 394 Q CA 0.600 56.525 55.803 0.203 0.000 0.932 394 Q CB -0.030 28.791 28.738 0.138 0.000 1.007 394 Q HN 0.395 nan 8.270 nan 0.000 0.508 395 D N -0.135 120.427 120.400 0.270 0.000 2.224 395 D HA -0.041 4.598 4.640 -0.000 0.000 0.205 395 D C 0.268 176.651 176.300 0.137 0.000 0.965 395 D CA 0.779 54.907 54.000 0.213 0.000 0.852 395 D CB 0.253 41.258 40.800 0.342 0.000 0.947 395 D HN -0.054 nan 8.370 nan 0.000 0.494 396 S N 0.043 115.763 115.700 0.033 0.000 2.564 396 S HA 0.148 4.618 4.470 -0.000 0.000 0.141 396 S C -0.364 174.001 174.600 -0.391 0.000 1.474 396 S CA -0.623 57.384 58.200 -0.321 0.000 1.236 396 S CB -0.291 62.463 63.200 -0.743 0.000 1.481 396 S HN 0.181 nan 8.310 nan 0.000 0.397 397 T N -0.153 114.338 114.554 -0.105 0.000 2.860 397 T HA 0.332 4.682 4.350 -0.000 0.000 0.299 397 T C 1.718 176.400 174.700 -0.031 0.000 1.045 397 T CA -0.510 61.578 62.100 -0.020 0.000 1.071 397 T CB 0.930 69.828 68.868 0.051 0.000 0.985 397 T HN 0.142 nan 8.240 nan 0.000 0.537 398 V N 2.061 121.996 119.914 0.034 0.000 2.392 398 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 398 V C 3.021 179.196 176.094 0.135 0.000 1.059 398 V CA 2.250 64.601 62.300 0.085 0.000 1.051 398 V CB -1.589 30.324 31.823 0.149 0.000 0.658 398 V HN 1.094 nan 8.190 nan 0.000 0.455 399 A N -0.783 122.081 122.820 0.073 0.000 2.121 399 A HA 0.387 4.706 4.320 -0.000 0.000 0.218 399 A C 1.456 179.021 177.584 -0.031 0.000 1.154 399 A CA 1.302 53.363 52.037 0.040 0.000 0.679 399 A CB -0.223 18.796 19.000 0.032 0.000 0.795 399 A HN 0.843 nan 8.150 nan 0.000 0.458 400 A N -0.364 122.417 122.820 -0.065 0.000 3.474 400 A HA 0.511 4.830 4.320 -0.000 0.000 0.251 400 A C -0.276 177.175 177.584 -0.221 0.000 1.062 400 A CA -0.719 51.214 52.037 -0.174 0.000 0.945 400 A CB -0.565 18.376 19.000 -0.099 0.000 1.296 400 A HN 0.603 nan 8.150 nan 0.000 0.592 401 Y N -1.046 119.124 120.300 -0.217 0.000 2.301 401 Y HA 0.654 5.204 4.550 -0.000 0.000 0.328 401 Y C -0.158 175.552 175.900 -0.316 0.000 1.242 401 Y CA -1.326 56.567 58.100 -0.344 0.000 1.323 401 Y CB 0.174 38.339 38.460 -0.493 0.000 1.266 401 Y HN 0.297 nan 8.280 nan 0.000 0.527 402 D N 1.651 121.984 120.400 -0.112 0.000 2.362 402 D HA 0.106 4.746 4.640 -0.000 0.000 0.242 402 D C -1.322 174.929 176.300 -0.082 0.000 1.132 402 D CA 0.222 54.193 54.000 -0.047 0.000 0.907 402 D CB 0.350 41.180 40.800 0.049 0.000 1.195 402 D HN 0.655 nan 8.370 nan 0.000 0.429 403 W N 1.190 122.481 121.300 -0.015 0.000 2.520 403 W HA 0.502 5.162 4.660 -0.000 0.000 0.323 403 W C -0.191 176.224 176.519 -0.173 0.000 1.062 403 W CA -0.675 56.626 57.345 -0.073 0.000 1.215 403 W CB 0.923 30.341 29.460 -0.071 0.000 1.340 403 W HN 0.078 nan 8.180 nan 0.000 0.516 404 I N 3.958 124.554 120.570 0.044 0.000 2.359 404 I HA 0.243 4.413 4.170 -0.000 0.000 0.284 404 I C 0.777 176.816 176.117 -0.129 0.000 1.018 404 I CA -0.295 60.883 61.300 -0.204 0.000 1.173 404 I CB 1.423 39.141 38.000 -0.470 0.000 1.326 404 I HN 0.712 nan 8.210 nan 0.000 0.462 405 A N 4.276 126.910 122.820 -0.310 0.000 2.195 405 A HA 0.025 4.345 4.320 -0.000 0.000 0.210 405 A C 0.918 178.437 177.584 -0.108 0.000 1.165 405 A CA 0.557 52.412 52.037 -0.302 0.000 0.806 405 A CB -0.147 18.434 19.000 -0.697 0.000 0.847 405 A HN 0.781 nan 8.150 nan 0.000 0.482 406 D N -2.035 118.346 120.400 -0.032 0.000 2.760 406 D HA 0.127 4.766 4.640 -0.000 0.000 0.314 406 D C -0.253 176.147 176.300 0.166 0.000 1.464 406 D CA -0.672 53.402 54.000 0.124 0.000 0.797 406 D CB -1.181 39.755 40.800 0.226 0.000 1.149 406 D HN 0.072 nan 8.370 nan 0.000 0.455 407 F N 1.991 121.943 119.950 0.002 0.000 2.607 407 F HA 0.173 4.700 4.527 -0.000 0.000 0.374 407 F C 0.439 176.294 175.800 0.092 0.000 1.104 407 F CA 0.610 58.635 58.000 0.043 0.000 1.296 407 F CB 0.730 39.709 39.000 -0.035 0.000 1.085 407 F HN -0.059 nan 8.300 nan 0.000 0.584 408 Q N 6.199 125.669 119.800 -0.550 0.000 2.425 408 Q HA 0.156 4.496 4.340 -0.000 0.000 0.254 408 Q C -0.474 175.274 176.000 -0.419 0.000 1.032 408 Q CA -0.799 54.812 55.803 -0.320 0.000 0.798 408 Q CB 1.347 29.966 28.738 -0.198 0.000 1.210 408 Q HN 0.531 nan 8.270 nan 0.000 0.491 409 K N 0.814 121.162 120.400 -0.087 0.000 2.524 409 K HA 0.037 4.357 4.320 -0.000 0.000 0.279 409 K C 0.853 177.437 176.600 -0.027 0.000 0.993 409 K CA 1.385 57.703 56.287 0.051 0.000 1.030 409 K CB 0.083 32.644 32.500 0.101 0.000 0.891 409 K HN 0.833 nan 8.250 nan 0.000 0.488 410 G N 3.442 112.241 108.800 -0.000 0.000 2.179 410 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.260 410 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.260 410 G C 0.603 175.479 174.900 -0.040 0.000 0.977 410 G CA 0.534 45.626 45.100 -0.014 0.000 0.641 410 G HN 0.656 nan 8.290 nan 0.000 0.533 411 I N -0.717 119.796 120.570 -0.095 0.000 3.878 411 I HA 0.225 4.395 4.170 -0.000 0.000 0.273 411 I C 0.567 176.613 176.117 -0.118 0.000 1.165 411 I CA -0.211 61.031 61.300 -0.097 0.000 1.360 411 I CB 0.107 38.046 38.000 -0.101 0.000 1.539 411 I HN -0.072 nan 8.210 nan 0.000 0.447 412 D N 2.445 122.688 120.400 -0.262 0.000 2.383 412 D HA 0.317 4.956 4.640 -0.000 0.000 0.248 412 D C -0.220 176.097 176.300 0.028 0.000 1.170 412 D CA 0.243 54.119 54.000 -0.207 0.000 0.977 412 D CB 0.927 41.448 40.800 -0.466 0.000 1.120 412 D HN -0.105 nan 8.370 nan 0.000 0.481 413 K N 0.507 121.064 120.400 0.263 0.000 2.435 413 K HA 0.546 4.866 4.320 -0.000 0.000 0.251 413 K C -0.591 176.357 176.600 0.579 0.000 0.954 413 K CA -0.673 55.841 56.287 0.378 0.000 0.820 413 K CB 2.183 34.804 32.500 0.202 0.000 1.292 413 K HN 0.330 nan 8.250 nan 0.000 0.436 414 I N 1.393 122.257 120.570 0.490 0.000 2.389 414 I HA 0.126 4.295 4.170 -0.000 0.000 0.288 414 I C -0.295 176.029 176.117 0.344 0.000 0.999 414 I CA -0.637 60.938 61.300 0.458 0.000 1.129 414 I CB 1.661 39.843 38.000 0.303 0.000 1.288 414 I HN 0.346 nan 8.210 nan 0.000 0.444 415 D N 7.842 128.466 120.400 0.374 0.000 2.396 415 D HA 0.294 4.933 4.640 -0.000 0.000 0.225 415 D C 0.047 176.560 176.300 0.354 0.000 1.121 415 D CA -0.135 54.043 54.000 0.296 0.000 0.853 415 D CB 1.254 42.197 40.800 0.238 0.000 1.043 415 D HN 0.468 nan 8.370 nan 0.000 0.500 416 L N 3.109 124.503 121.223 0.284 0.000 2.965 416 L HA 0.059 4.399 4.340 -0.000 0.000 0.254 416 L C 2.047 179.123 176.870 0.344 0.000 1.220 416 L CA -0.177 54.863 54.840 0.334 0.000 1.023 416 L CB 0.199 42.306 42.059 0.079 0.000 1.355 416 L HN 0.282 nan 8.230 nan 0.000 0.545 417 S N 0.135 115.981 115.700 0.242 0.000 2.423 417 S HA -0.147 4.322 4.470 -0.000 0.000 0.231 417 S C 2.137 176.828 174.600 0.152 0.000 1.014 417 S CA 0.827 59.130 58.200 0.172 0.000 0.965 417 S CB -0.057 63.216 63.200 0.121 0.000 0.785 417 S HN 0.393 nan 8.310 nan 0.000 0.495 418 A N 0.962 123.866 122.820 0.140 0.000 2.024 418 A HA 0.085 4.405 4.320 -0.000 0.000 0.220 418 A C 1.667 179.191 177.584 -0.100 0.000 1.164 418 A CA 1.152 53.181 52.037 -0.013 0.000 0.643 418 A CB -1.072 17.870 19.000 -0.097 0.000 0.806 418 A HN 0.586 nan 8.150 nan 0.000 0.451 419 F N -0.243 119.708 119.950 0.001 0.000 2.699 419 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 419 F C 2.238 178.026 175.800 -0.020 0.000 1.154 419 F CA 0.661 58.640 58.000 -0.034 0.000 1.457 419 F CB -0.227 38.717 39.000 -0.093 0.000 1.106 419 F HN 0.140 nan 8.300 nan 0.000 0.585 420 R N 0.787 121.367 120.500 0.134 0.000 2.159 420 R HA -0.195 4.144 4.340 -0.000 0.000 0.237 420 R C 1.910 178.238 176.300 0.047 0.000 1.131 420 R CA 1.460 57.609 56.100 0.082 0.000 0.982 420 R CB -0.680 29.659 30.300 0.066 0.000 0.868 420 R HN 0.412 nan 8.270 nan 0.000 0.453 421 N N 1.353 120.066 118.700 0.022 0.000 2.430 421 N HA -0.207 4.532 4.740 -0.000 0.000 0.186 421 N C 1.047 176.564 175.510 0.012 0.000 1.032 421 N CA 1.488 54.541 53.050 0.005 0.000 0.893 421 N CB -0.174 38.301 38.487 -0.020 0.000 0.957 421 N HN 0.459 nan 8.380 nan 0.000 0.442 422 E N -0.980 119.236 120.200 0.026 0.000 2.603 422 E HA 0.271 4.620 4.350 -0.000 0.000 0.211 422 E C -0.170 176.449 176.600 0.031 0.000 0.995 422 E CA -0.228 56.189 56.400 0.028 0.000 0.990 422 E CB -0.124 29.596 29.700 0.034 0.000 1.036 422 E HN 0.242 nan 8.360 nan 0.000 0.475 423 G N 2.113 110.936 108.800 0.038 0.000 3.400 423 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.679 423 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.679 423 G C -0.864 174.064 174.900 0.047 0.000 1.239 423 G CA -0.486 44.634 45.100 0.034 0.000 1.049 423 G HN 0.242 nan 8.290 nan 0.000 0.539 424 Q N 1.418 121.247 119.800 0.048 0.000 2.283 424 Q HA 0.233 4.573 4.340 -0.000 0.000 0.301 424 Q C 0.868 176.898 176.000 0.050 0.000 1.063 424 Q CA 0.005 55.843 55.803 0.059 0.000 0.952 424 Q CB 0.291 29.061 28.738 0.053 0.000 1.166 424 Q HN 0.588 nan 8.270 nan 0.000 0.381 425 L N 3.203 124.456 121.223 0.050 0.000 2.485 425 L HA 0.064 4.404 4.340 -0.000 0.000 0.275 425 L C 0.140 177.046 176.870 0.059 0.000 1.207 425 L CA -0.009 54.844 54.840 0.023 0.000 0.855 425 L CB 0.746 42.791 42.059 -0.023 0.000 1.114 425 L HN 0.619 nan 8.230 nan 0.000 0.485 426 S N 2.471 118.208 115.700 0.062 0.000 2.462 426 S HA 0.395 4.865 4.470 -0.000 0.000 0.294 426 S C -0.517 174.163 174.600 0.133 0.000 1.144 426 S CA -0.508 57.751 58.200 0.099 0.000 1.088 426 S CB 1.033 64.279 63.200 0.077 0.000 1.009 426 S HN 0.328 nan 8.310 nan 0.000 0.484 427 F N 4.520 124.484 119.950 0.024 0.000 2.427 427 F HA 0.489 5.016 4.527 -0.000 0.000 0.352 427 F C 0.096 175.903 175.800 0.013 0.000 1.100 427 F CA -0.419 57.593 58.000 0.019 0.000 1.191 427 F CB 0.579 39.584 39.000 0.009 0.000 1.128 427 F HN 0.370 nan 8.300 nan 0.000 0.533 428 V N 4.628 124.294 119.914 -0.413 0.000 2.715 428 V HA 0.421 4.541 4.120 -0.000 0.000 0.310 428 V C 0.373 176.245 176.094 -0.370 0.000 1.054 428 V CA -0.743 61.407 62.300 -0.251 0.000 0.928 428 V CB 1.832 33.531 31.823 -0.207 0.000 1.007 428 V HN 0.795 nan 8.190 nan 0.000 0.437 429 Q N 2.870 122.592 119.800 -0.130 0.000 2.020 429 Q HA -0.006 4.333 4.340 -0.000 0.000 0.198 429 Q C 0.884 176.799 176.000 -0.141 0.000 0.974 429 Q CA 2.389 58.157 55.803 -0.058 0.000 0.829 429 Q CB -0.046 28.707 28.738 0.024 0.000 0.894 429 Q HN 1.176 nan 8.270 nan 0.000 0.433 430 D N -1.931 118.366 120.400 -0.172 0.000 2.523 430 D HA 0.045 4.685 4.640 -0.000 0.000 0.269 430 D C -0.152 175.995 176.300 -0.254 0.000 1.374 430 D CA -0.189 53.698 54.000 -0.188 0.000 0.820 430 D CB 0.052 40.794 40.800 -0.096 0.000 1.211 430 D HN 0.155 nan 8.370 nan 0.000 0.502 431 Q N -0.177 119.444 119.800 -0.299 0.000 2.353 431 Q HA 0.402 4.742 4.340 -0.000 0.000 0.275 431 Q C -1.456 174.359 176.000 -0.309 0.000 1.029 431 Q CA -0.937 54.688 55.803 -0.297 0.000 0.848 431 Q CB 1.194 29.847 28.738 -0.141 0.000 1.390 431 Q HN -0.018 nan 8.270 nan 0.000 0.401 432 F N 1.175 121.064 119.950 -0.102 0.000 2.382 432 F HA 0.201 4.728 4.527 -0.000 0.000 0.331 432 F C 1.858 177.633 175.800 -0.042 0.000 1.121 432 F CA 0.295 58.254 58.000 -0.069 0.000 1.183 432 F CB 1.674 40.620 39.000 -0.090 0.000 1.207 432 F HN 0.839 nan 8.300 nan 0.000 0.555 433 T N -1.940 112.744 114.554 0.216 0.000 3.054 433 T HA 0.268 4.618 4.350 -0.000 0.000 0.259 433 T C 1.550 176.315 174.700 0.108 0.000 1.092 433 T CA 0.542 62.711 62.100 0.115 0.000 1.121 433 T CB 0.143 69.063 68.868 0.088 0.000 0.912 433 T HN 1.074 nan 8.240 nan 0.000 0.489 434 G N 1.501 110.394 108.800 0.154 0.000 2.213 434 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.236 434 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.236 434 G C 0.894 175.877 174.900 0.138 0.000 0.991 434 G CA 0.321 45.505 45.100 0.141 0.000 0.629 434 G HN 0.543 nan 8.290 nan 0.000 0.517 435 K N 0.771 121.225 120.400 0.090 0.000 2.365 435 K HA 0.392 4.712 4.320 -0.000 0.000 0.199 435 K C 1.575 178.148 176.600 -0.045 0.000 1.045 435 K CA 0.748 57.053 56.287 0.030 0.000 0.962 435 K CB -0.069 32.449 32.500 0.029 0.000 0.759 435 K HN 1.583 nan 8.250 nan 0.000 0.469 436 G N 0.957 109.691 108.800 -0.110 0.000 2.757 436 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.638 436 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.638 436 G C -0.921 173.852 174.900 -0.211 0.000 1.344 436 G CA -0.572 44.288 45.100 -0.401 0.000 0.855 436 G HN 0.146 nan 8.290 nan 0.000 0.537 437 Q N -0.812 118.839 119.800 -0.247 0.000 2.439 437 Q HA -0.166 4.174 4.340 -0.000 0.000 0.325 437 Q C 0.262 176.220 176.000 -0.070 0.000 1.372 437 Q CA 2.353 58.077 55.803 -0.131 0.000 0.909 437 Q CB -1.496 27.207 28.738 -0.058 0.000 1.167 437 Q HN 0.878 nan 8.270 nan 0.000 0.418 438 E N -0.881 119.281 120.200 -0.065 0.000 2.288 438 E HA 0.743 5.093 4.350 -0.000 0.000 0.268 438 E C -0.978 175.702 176.600 0.134 0.000 0.885 438 E CA -0.817 55.633 56.400 0.084 0.000 0.767 438 E CB 2.916 32.778 29.700 0.270 0.000 1.220 438 E HN 0.047 nan 8.360 nan 0.000 0.427 439 V N 3.254 123.222 119.914 0.090 0.000 2.789 439 V HA 0.680 4.800 4.120 -0.000 0.000 0.311 439 V C -1.338 174.593 176.094 -0.271 0.000 1.073 439 V CA -0.535 61.779 62.300 0.023 0.000 0.921 439 V CB 1.834 33.624 31.823 -0.055 0.000 1.009 439 V HN 0.753 nan 8.190 nan 0.000 0.426 440 M N 6.647 126.111 119.600 -0.226 0.000 2.446 440 M HA 0.606 5.086 4.480 -0.000 0.000 0.294 440 M C -2.419 173.752 176.300 -0.215 0.000 1.158 440 M CA -0.694 54.307 55.300 -0.498 0.000 0.899 440 M CB 2.261 34.521 32.600 -0.568 0.000 1.687 440 M HN 0.625 nan 8.290 nan 0.000 0.455 441 L N 4.134 125.246 121.223 -0.186 0.000 2.280 441 L HA 0.473 4.812 4.340 -0.000 0.000 0.287 441 L C -0.422 176.488 176.870 0.067 0.000 1.023 441 L CA -0.440 54.416 54.840 0.026 0.000 0.819 441 L CB 1.537 43.693 42.059 0.162 0.000 1.212 441 L HN 0.660 nan 8.230 nan 0.000 0.420 442 Q N 4.814 124.682 119.800 0.114 0.000 2.348 442 Q HA 0.151 4.490 4.340 -0.000 0.000 0.265 442 Q C -1.521 174.603 176.000 0.208 0.000 0.998 442 Q CA -0.503 55.395 55.803 0.159 0.000 0.831 442 Q CB 1.913 30.791 28.738 0.234 0.000 1.251 442 Q HN 0.721 nan 8.270 nan 0.000 0.456 443 W N 5.787 127.092 121.300 0.009 0.000 2.335 443 W HA 0.203 4.863 4.660 -0.000 0.000 0.306 443 W C -0.868 175.658 176.519 0.011 0.000 1.216 443 W CA -0.444 56.905 57.345 0.007 0.000 1.237 443 W CB 1.127 30.595 29.460 0.013 0.000 1.243 443 W HN 0.630 nan 8.180 nan 0.000 0.493 444 D N 5.123 125.198 120.400 -0.542 0.000 2.485 444 D HA 0.294 4.934 4.640 -0.000 0.000 0.221 444 D C 1.022 176.724 176.300 -0.997 0.000 1.112 444 D CA 0.029 53.696 54.000 -0.555 0.000 0.911 444 D CB 1.205 41.809 40.800 -0.327 0.000 1.019 444 D HN 0.420 nan 8.370 nan 0.000 0.516 445 A N 3.578 125.882 122.820 -0.859 0.000 1.972 445 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 445 A C 2.119 179.494 177.584 -0.349 0.000 1.169 445 A CA 1.642 53.285 52.037 -0.657 0.000 0.635 445 A CB -0.411 18.523 19.000 -0.110 0.000 0.810 445 A HN 0.597 nan 8.150 nan 0.000 0.446 446 A N -0.066 122.597 122.820 -0.262 0.000 1.933 446 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 446 A C 1.763 179.253 177.584 -0.156 0.000 1.175 446 A CA 1.629 53.575 52.037 -0.151 0.000 0.628 446 A CB -0.336 18.599 19.000 -0.109 0.000 0.814 446 A HN 0.550 nan 8.150 nan 0.000 0.444 447 N N -0.893 117.670 118.700 -0.228 0.000 2.205 447 N HA 0.073 4.813 4.740 -0.000 0.000 0.201 447 N C -0.198 175.188 175.510 -0.207 0.000 1.128 447 N CA 0.773 53.722 53.050 -0.168 0.000 0.867 447 N CB 0.565 38.982 38.487 -0.116 0.000 0.996 447 N HN 0.226 nan 8.380 nan 0.000 0.503 448 S N 0.757 116.200 115.700 -0.428 0.000 3.682 448 S HA -0.136 4.333 4.470 -0.000 0.000 0.354 448 S C -0.195 174.238 174.600 -0.279 0.000 1.034 448 S CA 0.411 58.331 58.200 -0.466 0.000 1.084 448 S CB -1.200 62.027 63.200 0.045 0.000 0.903 448 S HN 0.271 nan 8.310 nan 0.000 0.470 449 I N 1.516 121.835 120.570 -0.418 0.000 2.404 449 I HA 0.365 4.535 4.170 -0.000 0.000 0.293 449 I C 0.733 176.820 176.117 -0.051 0.000 0.992 449 I CA -0.200 61.047 61.300 -0.089 0.000 1.149 449 I CB 1.632 39.613 38.000 -0.031 0.000 1.315 449 I HN 0.031 nan 8.210 nan 0.000 0.446 450 T N 5.732 120.377 114.554 0.151 0.000 2.749 450 T HA 0.330 4.680 4.350 -0.000 0.000 0.287 450 T C 0.218 174.857 174.700 -0.101 0.000 0.970 450 T CA -0.622 61.573 62.100 0.159 0.000 0.980 450 T CB 0.362 69.347 68.868 0.196 0.000 0.924 450 T HN 0.325 nan 8.240 nan 0.000 0.456 451 N N 3.406 122.007 118.700 -0.166 0.000 2.414 451 N HA 0.241 4.981 4.740 -0.000 0.000 0.256 451 N C -0.707 174.523 175.510 -0.466 0.000 1.029 451 N CA -0.411 52.358 53.050 -0.468 0.000 0.948 451 N CB 1.631 39.798 38.487 -0.533 0.000 1.102 451 N HN 0.567 nan 8.380 nan 0.000 0.496 452 L N 3.389 124.296 121.223 -0.527 0.000 2.261 452 L HA 0.407 4.747 4.340 -0.000 0.000 0.289 452 L C -1.057 175.593 176.870 -0.366 0.000 1.059 452 L CA -0.717 53.928 54.840 -0.326 0.000 0.816 452 L CB 0.315 42.221 42.059 -0.255 0.000 1.191 452 L HN 0.447 nan 8.230 nan 0.000 0.431 453 W N 6.161 127.451 121.300 -0.016 0.000 2.520 453 W HA 0.571 5.231 4.660 -0.000 0.000 0.323 453 W C -0.647 175.971 176.519 0.164 0.000 1.062 453 W CA -0.498 56.906 57.345 0.099 0.000 1.215 453 W CB 1.562 31.143 29.460 0.201 0.000 1.340 453 W HN 0.303 nan 8.180 nan 0.000 0.516 454 L N 4.225 125.658 121.223 0.351 0.000 2.372 454 L HA 0.388 4.727 4.340 -0.000 0.000 0.274 454 L C -0.702 176.124 176.870 -0.073 0.000 0.988 454 L CA -0.738 54.108 54.840 0.011 0.000 0.833 454 L CB 1.093 42.878 42.059 -0.457 0.000 1.236 454 L HN 0.520 nan 8.230 nan 0.000 0.410 455 H N 5.370 124.201 119.070 -0.399 0.000 2.597 455 H HA 0.301 4.856 4.556 -0.000 0.000 0.303 455 H C -0.866 174.253 175.328 -0.349 0.000 1.057 455 H CA -0.667 55.067 56.048 -0.524 0.000 1.261 455 H CB 0.977 30.129 29.762 -1.016 0.000 1.397 455 H HN 0.658 nan 8.280 nan 0.000 0.461 456 E N 2.900 122.832 120.200 -0.447 0.000 2.331 456 E HA 0.295 4.644 4.350 -0.000 0.000 0.272 456 E C -0.295 176.077 176.600 -0.380 0.000 1.036 456 E CA -0.782 55.381 56.400 -0.395 0.000 0.864 456 E CB 1.334 30.785 29.700 -0.415 0.000 1.035 456 E HN 0.664 nan 8.360 nan 0.000 0.408 457 A N 1.734 124.417 122.820 -0.228 0.000 2.540 457 A HA 0.366 4.686 4.320 -0.000 0.000 0.239 457 A C 1.217 178.817 177.584 0.027 0.000 1.061 457 A CA 0.816 52.764 52.037 -0.147 0.000 0.758 457 A CB -0.293 18.661 19.000 -0.077 0.000 0.991 457 A HN 0.849 nan 8.150 nan 0.000 0.502 458 G N 1.105 109.917 108.800 0.020 0.000 2.195 458 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.246 458 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.246 458 G C 0.160 175.085 174.900 0.042 0.000 0.984 458 G CA 0.419 45.546 45.100 0.044 0.000 0.633 458 G HN 1.061 nan 8.290 nan 0.000 0.525 459 H N 1.018 120.087 119.070 -0.001 0.000 2.517 459 H HA 0.411 4.967 4.556 -0.000 0.000 0.317 459 H C 1.616 177.036 175.328 0.154 0.000 1.080 459 H CA 0.241 56.334 56.048 0.075 0.000 1.301 459 H CB 1.631 31.455 29.762 0.103 0.000 1.425 459 H HN 0.324 nan 8.280 nan 0.000 0.471 460 S N 2.093 117.877 115.700 0.139 0.000 2.461 460 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 460 S C 0.934 175.552 174.600 0.030 0.000 1.005 460 S CA 0.153 58.402 58.200 0.082 0.000 0.942 460 S CB 0.082 63.296 63.200 0.023 0.000 0.776 460 S HN 0.553 nan 8.310 nan 0.000 0.514 461 S N 0.124 115.857 115.700 0.054 0.000 2.634 461 S HA 0.703 5.173 4.470 -0.000 0.000 0.296 461 S C -0.666 173.910 174.600 -0.041 0.000 1.104 461 S CA -0.936 57.235 58.200 -0.048 0.000 0.920 461 S CB 1.593 64.786 63.200 -0.012 0.000 1.111 461 S HN 0.081 nan 8.310 nan 0.000 0.493 462 V N 2.496 122.300 119.914 -0.182 0.000 2.405 462 V HA 0.229 4.349 4.120 -0.000 0.000 0.264 462 V C -0.149 176.001 176.094 0.093 0.000 1.048 462 V CA -0.011 62.212 62.300 -0.128 0.000 0.966 462 V CB 0.304 31.964 31.823 -0.271 0.000 1.015 462 V HN 0.923 nan 8.190 nan 0.000 0.477 463 D N 3.135 123.624 120.400 0.148 0.000 2.398 463 D HA 0.157 4.797 4.640 -0.000 0.000 0.210 463 D C -0.119 176.309 176.300 0.214 0.000 1.094 463 D CA 0.404 54.519 54.000 0.192 0.000 0.839 463 D CB 0.698 41.652 40.800 0.256 0.000 0.963 463 D HN 0.484 nan 8.370 nan 0.000 0.506 464 F N 1.608 121.585 119.950 0.045 0.000 2.507 464 F HA 0.507 5.034 4.527 -0.000 0.000 0.325 464 F C -1.496 174.256 175.800 -0.081 0.000 1.116 464 F CA -1.172 56.813 58.000 -0.026 0.000 0.930 464 F CB 1.518 40.467 39.000 -0.086 0.000 1.146 464 F HN -0.276 nan 8.300 nan 0.000 0.447 465 L N 7.169 128.021 121.223 -0.619 0.000 2.493 465 L HA 0.744 5.084 4.340 -0.000 0.000 0.265 465 L C -1.994 174.322 176.870 -0.923 0.000 0.954 465 L CA -0.561 53.811 54.840 -0.780 0.000 0.844 465 L CB 2.126 43.624 42.059 -0.935 0.000 1.302 465 L HN 0.396 nan 8.230 nan 0.000 0.405 466 V N 5.074 124.495 119.914 -0.821 0.000 2.487 466 V HA 0.612 4.731 4.120 -0.000 0.000 0.298 466 V C -0.140 175.541 176.094 -0.688 0.000 1.028 466 V CA -0.601 61.287 62.300 -0.686 0.000 0.860 466 V CB 1.779 33.248 31.823 -0.590 0.000 0.991 466 V HN 0.728 nan 8.190 nan 0.000 0.427 467 R N 4.703 124.750 120.500 -0.755 0.000 2.368 467 R HA 0.721 5.061 4.340 -0.000 0.000 0.302 467 R C -1.113 174.987 176.300 -0.333 0.000 1.002 467 R CA -0.522 55.103 56.100 -0.791 0.000 0.929 467 R CB 1.750 31.129 30.300 -1.535 0.000 1.073 467 R HN 0.578 nan 8.270 nan 0.000 0.464 468 I N 2.420 122.905 120.570 -0.141 0.000 2.418 468 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 468 I C -0.227 175.992 176.117 0.172 0.000 1.008 468 I CA -0.993 60.305 61.300 -0.002 0.000 1.104 468 I CB 2.325 40.225 38.000 -0.166 0.000 1.264 468 I HN 0.263 nan 8.210 nan 0.000 0.438 469 V N 6.176 126.216 119.914 0.211 0.000 2.287 469 V HA 0.683 4.803 4.120 -0.000 0.000 0.246 469 V C 0.730 176.933 176.094 0.182 0.000 1.165 469 V CA 0.118 62.520 62.300 0.170 0.000 1.088 469 V CB -0.750 31.102 31.823 0.050 0.000 1.242 469 V HN 1.072 nan 8.190 nan 0.000 0.497 470 G N 4.046 112.998 108.800 0.254 0.000 2.361 470 G HA2 0.057 4.016 3.960 -0.000 0.000 0.331 470 G HA3 0.057 4.016 3.960 -0.000 0.000 0.331 470 G C -1.210 173.902 174.900 0.354 0.000 1.324 470 G CA -0.965 44.314 45.100 0.299 0.000 0.984 470 G HN 0.407 nan 8.290 nan 0.000 0.586 471 Q N -0.642 119.285 119.800 0.212 0.000 2.312 471 Q HA 0.657 4.997 4.340 -0.000 0.000 0.236 471 Q C 0.191 176.276 176.000 0.141 0.000 0.965 471 Q CA 0.112 55.921 55.803 0.011 0.000 0.894 471 Q CB 1.730 30.320 28.738 -0.247 0.000 1.225 471 Q HN 1.351 nan 8.270 nan 0.000 0.478 472 A N 0.356 123.216 122.820 0.067 0.000 2.572 472 A HA 0.828 5.148 4.320 -0.000 0.000 0.295 472 A C -1.665 175.960 177.584 0.070 0.000 1.072 472 A CA -0.438 51.681 52.037 0.138 0.000 0.691 472 A CB 1.740 20.697 19.000 -0.072 0.000 1.291 472 A HN 0.696 nan 8.150 nan 0.000 0.404 473 A N -0.077 122.801 122.820 0.096 0.000 2.354 473 A HA 0.633 4.953 4.320 -0.000 0.000 0.321 473 A C 0.791 178.343 177.584 -0.053 0.000 1.125 473 A CA 0.037 52.081 52.037 0.013 0.000 0.799 473 A CB 1.161 20.156 19.000 -0.008 0.000 1.293 473 A HN 1.072 nan 8.150 nan 0.000 0.452 474 Q N 0.829 120.482 119.800 -0.245 0.000 2.152 474 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 474 Q C 1.625 177.398 176.000 -0.379 0.000 0.985 474 Q CA 2.591 57.963 55.803 -0.717 0.000 0.863 474 Q CB -0.179 27.834 28.738 -1.210 0.000 0.904 474 Q HN 0.933 nan 8.270 nan 0.000 0.422 475 S N -0.437 115.142 115.700 -0.202 0.000 2.603 475 S HA -0.055 4.414 4.470 -0.000 0.000 0.229 475 S C 0.746 175.344 174.600 -0.004 0.000 0.972 475 S CA 0.749 58.890 58.200 -0.098 0.000 0.935 475 S CB 0.137 63.295 63.200 -0.069 0.000 0.769 475 S HN 0.365 nan 8.310 nan 0.000 0.536 476 D N 1.174 121.606 120.400 0.053 0.000 2.348 476 D HA 0.170 4.810 4.640 -0.000 0.000 0.211 476 D C 0.112 176.531 176.300 0.198 0.000 0.998 476 D CA 0.278 54.392 54.000 0.190 0.000 0.873 476 D CB 0.148 41.185 40.800 0.395 0.000 0.925 476 D HN 0.393 nan 8.370 nan 0.000 0.524 477 I N 2.044 122.674 120.570 0.100 0.000 2.312 477 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 477 I C 0.444 176.621 176.117 0.099 0.000 1.008 477 I CA -0.721 60.650 61.300 0.119 0.000 1.226 477 I CB 0.960 39.037 38.000 0.128 0.000 1.371 477 I HN -0.263 nan 8.210 nan 0.000 0.468 478 I N 7.294 127.944 120.570 0.133 0.000 2.337 478 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 478 I C 0.548 176.736 176.117 0.119 0.000 1.046 478 I CA -0.423 60.946 61.300 0.114 0.000 1.324 478 I CB 0.995 39.071 38.000 0.127 0.000 1.409 478 I HN 0.412 nan 8.210 nan 0.000 0.494 479 V N 0.000 119.972 119.914 0.096 0.000 2.409 479 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 479 V CA 0.000 62.359 62.300 0.099 0.000 1.235 479 V CB 0.000 31.879 31.823 0.093 0.000 1.184 479 V HN 0.000 nan 8.190 nan 0.000 0.556