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 3k4b_1_A DATA FIRST_RESID 46 DATA SEQUENCE KYDVVIVGSG PIGCTYAREL VGAGYKVAMF DIGEIDSGLK IGAHKKNTVE DATA SEQUENCE YQKNIDKFVN VIQGQLMSVS VPVNTLVVDT LSPTSWQAST FFVRNGSNPE DATA SEQUENCE QDPLRNLSGQ AVTRVVGGMS THWSCATPRF DREQRPLLVK DDADADDAEW DATA SEQUENCE DRLYTKAESY FQTGTDQFKE SIRHNLVLNK LTEEYKGQRD FQQIPLAATR DATA SEQUENCE RSPTFVEWSS ANTVFDLQNR PNTDAPEERF NLFPAVACER VVRNALNSEI DATA SEQUENCE ESLHIHDLIS GDRFEIKADV YVLTAGAVHN TQLLVNSGFG QLGRPNPANP DATA SEQUENCE PELLPSLGSY ITEQSLVFCQ TVMSTELIDS VKSDMTIRGT PGELTYSVTY DATA SEQUENCE TPGASTNKHP DWWNEKVKNH MMQHQEDPLP IPFEDPEPQV TTLFQPSHPW DATA SEQUENCE HTQIHRDAFS YGAVQQSIDS RLIVDWRFFG RTEPKEENKL WFSDKITDAY DATA SEQUENCE NMPQPTFDFR FPAGRTSKEA EDMMTDMCVM SAKIGGFLPG SLPQFMEPGL DATA SEQUENCE VLHLGGTHRM GFDEKEDNCC VNTDSRVFGF KNLFLGGCGN IPTAYGANPT DATA SEQUENCE LTAMSLAIKS CEYIKQNFTP SPF 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 46 K HA 0.000 nan 4.320 nan 0.000 0.191 46 K C 0.000 176.331 176.600 -0.449 0.000 0.988 46 K CA 0.000 56.156 56.287 -0.218 0.000 0.838 46 K CB 0.000 32.428 32.500 -0.120 0.000 1.064 47 Y N 1.272 121.572 120.300 -0.001 0.000 2.587 47 Y HA 0.322 4.872 4.550 0.000 0.000 0.337 47 Y C 1.087 176.964 175.900 -0.039 0.000 1.065 47 Y CA -0.674 57.416 58.100 -0.017 0.000 1.126 47 Y CB 1.580 40.032 38.460 -0.014 0.000 1.279 47 Y HN 0.534 nan 8.280 nan 0.000 0.489 48 D N 0.040 120.528 120.400 0.147 0.000 2.123 48 D HA 0.024 4.664 4.640 0.001 0.000 0.200 48 D C -0.334 175.952 176.300 -0.023 0.000 0.976 48 D CA 1.389 55.449 54.000 0.101 0.000 0.831 48 D CB 0.226 41.164 40.800 0.231 0.000 0.974 48 D HN 0.116 nan 8.370 nan 0.000 0.469 49 V N 0.528 120.426 119.914 -0.026 0.000 2.841 49 V HA 0.457 4.578 4.120 0.001 0.000 0.310 49 V C -0.486 175.514 176.094 -0.157 0.000 1.090 49 V CA -1.078 61.108 62.300 -0.190 0.000 0.930 49 V CB 2.649 34.319 31.823 -0.255 0.000 1.014 49 V HN -0.011 nan 8.190 nan 0.000 0.425 50 V N 2.299 122.082 119.914 -0.218 0.000 2.656 50 V HA 0.753 4.874 4.120 0.001 0.000 0.307 50 V C -0.812 175.238 176.094 -0.073 0.000 1.051 50 V CA -0.626 61.616 62.300 -0.097 0.000 0.893 50 V CB 1.845 33.677 31.823 0.015 0.000 0.999 50 V HN 0.695 nan 8.190 nan 0.000 0.426 51 I N 4.106 124.667 120.570 -0.015 0.000 2.436 51 I HA 0.530 4.700 4.170 0.001 0.000 0.289 51 I C -0.617 175.547 176.117 0.079 0.000 1.010 51 I CA -1.029 60.252 61.300 -0.032 0.000 1.098 51 I CB 2.184 40.142 38.000 -0.069 0.000 1.266 51 I HN 0.439 nan 8.210 nan 0.000 0.434 52 V N 5.153 125.084 119.914 0.029 0.000 2.364 52 V HA 0.777 4.898 4.120 0.001 0.000 0.272 52 V C 0.535 176.642 176.094 0.021 0.000 1.036 52 V CA -0.351 61.982 62.300 0.055 0.000 0.880 52 V CB 0.496 32.319 31.823 -0.001 0.000 0.991 52 V HN 1.089 nan 8.190 nan 0.000 0.460 53 G N 4.038 112.866 108.800 0.047 0.000 2.907 53 G HA2 -0.038 3.923 3.960 0.001 0.000 0.686 53 G HA3 -0.038 3.923 3.960 0.001 0.000 0.686 53 G C -0.043 174.876 174.900 0.032 0.000 1.115 53 G CA -0.249 44.870 45.100 0.030 0.000 0.760 53 G HN 1.416 nan 8.290 nan 0.000 0.620 54 S N 1.202 116.922 115.700 0.033 0.000 2.562 54 S HA 0.616 5.086 4.470 0.001 0.000 0.246 54 S C 1.227 175.837 174.600 0.017 0.000 1.056 54 S CA 0.662 58.887 58.200 0.041 0.000 1.042 54 S CB 0.634 63.868 63.200 0.057 0.000 0.822 54 S HN 1.938 nan 8.310 nan 0.000 0.465 55 G N 2.575 111.374 108.800 -0.002 0.000 2.621 55 G HA2 0.424 4.384 3.960 0.001 0.000 0.271 55 G HA3 0.424 4.384 3.960 0.001 0.000 0.271 55 G C -1.192 173.683 174.900 -0.042 0.000 1.236 55 G CA -1.472 43.606 45.100 -0.037 0.000 0.958 55 G HN 0.243 nan 8.290 nan 0.000 0.512 56 P HA -0.055 nan 4.420 nan 0.000 0.222 56 P C 1.669 178.921 177.300 -0.080 0.000 1.147 56 P CA 0.616 63.670 63.100 -0.076 0.000 0.790 56 P CB 0.228 31.910 31.700 -0.030 0.000 0.780 57 I N 0.287 120.841 120.570 -0.026 0.000 2.277 57 I HA -0.049 4.122 4.170 0.001 0.000 0.243 57 I C 2.729 178.907 176.117 0.101 0.000 1.094 57 I CA 1.559 62.874 61.300 0.024 0.000 1.393 57 I CB -2.250 35.789 38.000 0.064 0.000 1.078 57 I HN 0.004 nan 8.210 nan 0.000 0.417 58 G N 0.496 109.340 108.800 0.074 0.000 2.476 58 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 58 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 58 G C 1.775 176.682 174.900 0.012 0.000 1.164 58 G CA 1.191 46.328 45.100 0.062 0.000 0.768 58 G HN 0.417 nan 8.290 nan 0.000 0.560 59 C N 0.555 119.833 119.300 -0.036 0.000 2.432 59 C HA 0.049 4.510 4.460 0.001 0.000 0.282 59 C C 3.182 178.052 174.990 -0.200 0.000 1.388 59 C CA 1.336 60.292 59.018 -0.104 0.000 1.777 59 C CB -0.995 26.734 27.740 -0.018 0.000 1.882 59 C HN 0.467 nan 8.230 nan 0.000 0.520 60 T N 0.012 114.473 114.554 -0.154 0.000 2.737 60 T HA -0.153 4.197 4.350 0.001 0.000 0.265 60 T C 1.469 176.010 174.700 -0.265 0.000 1.038 60 T CA 1.592 63.571 62.100 -0.202 0.000 1.144 60 T CB -0.413 68.344 68.868 -0.186 0.000 0.866 60 T HN 0.541 nan 8.240 nan 0.000 0.434 61 Y N 1.640 121.806 120.300 -0.223 0.000 2.128 61 Y HA -0.087 4.464 4.550 0.001 0.000 0.284 61 Y C 2.773 178.453 175.900 -0.366 0.000 1.154 61 Y CA 0.996 58.938 58.100 -0.262 0.000 1.149 61 Y CB -0.837 37.487 38.460 -0.227 0.000 0.976 61 Y HN 0.194 nan 8.280 nan 0.000 0.505 62 A N 0.261 122.888 122.820 -0.321 0.000 1.851 62 A HA -0.271 4.050 4.320 0.001 0.000 0.216 62 A C 2.328 179.317 177.584 -0.992 0.000 1.195 62 A CA 2.023 53.611 52.037 -0.749 0.000 0.622 62 A CB -0.892 17.382 19.000 -1.211 0.000 0.831 62 A HN 0.406 nan 8.150 nan 0.000 0.444 63 R N -0.533 119.382 120.500 -0.976 0.000 2.113 63 R HA -0.197 4.143 4.340 0.001 0.000 0.244 63 R C 2.036 178.107 176.300 -0.381 0.000 1.142 63 R CA 1.960 57.697 56.100 -0.605 0.000 0.953 63 R CB -0.316 29.711 30.300 -0.455 0.000 0.860 63 R HN 0.601 nan 8.270 nan 0.000 0.438 64 E N 0.171 120.179 120.200 -0.321 0.000 2.106 64 E HA -0.152 4.199 4.350 0.001 0.000 0.192 64 E C 2.087 178.609 176.600 -0.130 0.000 0.984 64 E CA 1.041 57.326 56.400 -0.191 0.000 0.806 64 E CB 0.010 29.601 29.700 -0.181 0.000 0.750 64 E HN 0.436 nan 8.360 nan 0.000 0.458 65 L N -0.101 121.021 121.223 -0.169 0.000 2.316 65 L HA -0.000 4.340 4.340 0.001 0.000 0.207 65 L C 2.408 179.312 176.870 0.055 0.000 1.070 65 L CA 0.165 54.967 54.840 -0.063 0.000 0.820 65 L CB -0.093 41.829 42.059 -0.228 0.000 0.992 65 L HN -0.087 nan 8.230 nan 0.000 0.466 66 V N 0.533 120.384 119.914 -0.104 0.000 2.490 66 V HA -0.163 3.957 4.120 0.001 0.000 0.250 66 V C 2.515 178.609 176.094 -0.000 0.000 1.061 66 V CA 1.994 64.269 62.300 -0.042 0.000 1.064 66 V CB -1.020 30.725 31.823 -0.130 0.000 0.670 66 V HN 0.557 nan 8.190 nan 0.000 0.461 67 G N -0.556 108.223 108.800 -0.034 0.000 2.430 67 G HA2 -0.036 3.924 3.960 0.001 0.000 0.216 67 G HA3 -0.036 3.924 3.960 0.001 0.000 0.216 67 G C 1.558 176.465 174.900 0.011 0.000 1.146 67 G CA 0.690 45.783 45.100 -0.011 0.000 0.793 67 G HN 0.592 nan 8.290 nan 0.000 0.537 68 A N -0.193 122.655 122.820 0.046 0.000 2.235 68 A HA 0.444 4.764 4.320 0.001 0.000 0.208 68 A C 1.956 179.521 177.584 -0.031 0.000 1.172 68 A CA 1.381 53.456 52.037 0.062 0.000 0.786 68 A CB -0.489 18.625 19.000 0.190 0.000 0.804 68 A HN 1.560 nan 8.150 nan 0.000 0.479 69 G N -2.545 106.239 108.800 -0.026 0.000 2.131 69 G HA2 -0.254 3.707 3.960 0.001 0.000 0.223 69 G HA3 -0.254 3.707 3.960 0.001 0.000 0.223 69 G C -0.088 174.686 174.900 -0.209 0.000 0.990 69 G CA 0.056 45.091 45.100 -0.109 0.000 0.671 69 G HN 0.400 nan 8.290 nan 0.000 0.521 70 Y N 0.292 120.557 120.300 -0.058 0.000 2.336 70 Y HA 0.401 4.951 4.550 0.001 0.000 0.331 70 Y C 1.182 177.040 175.900 -0.070 0.000 1.211 70 Y CA 0.040 58.104 58.100 -0.060 0.000 1.346 70 Y CB 0.710 39.134 38.460 -0.059 0.000 1.271 70 Y HN 0.095 nan 8.280 nan 0.000 0.538 71 K N 2.801 123.245 120.400 0.073 0.000 2.294 71 K HA 0.293 4.614 4.320 0.001 0.000 0.288 71 K C -1.430 175.267 176.600 0.163 0.000 1.072 71 K CA -0.094 56.231 56.287 0.063 0.000 0.960 71 K CB -0.185 32.339 32.500 0.041 0.000 1.043 71 K HN 0.465 nan 8.250 nan 0.000 0.455 72 V N 3.422 123.412 119.914 0.127 0.000 2.435 72 V HA 0.546 4.667 4.120 0.001 0.000 0.290 72 V C -0.052 175.946 176.094 -0.161 0.000 1.030 72 V CA -0.898 61.436 62.300 0.057 0.000 0.881 72 V CB 1.313 33.213 31.823 0.129 0.000 0.983 72 V HN 0.849 nan 8.190 nan 0.000 0.445 73 A N 5.885 128.455 122.820 -0.416 0.000 2.350 73 A HA 0.944 5.264 4.320 0.001 0.000 0.324 73 A C -0.632 176.645 177.584 -0.512 0.000 1.118 73 A CA -0.651 50.940 52.037 -0.743 0.000 0.783 73 A CB 1.617 19.801 19.000 -1.360 0.000 1.236 73 A HN 0.917 nan 8.150 nan 0.000 0.457 74 M N 2.229 121.437 119.600 -0.653 0.000 2.393 74 M HA 0.749 5.229 4.480 0.001 0.000 0.299 74 M C -2.203 173.786 176.300 -0.518 0.000 1.103 74 M CA -0.420 54.682 55.300 -0.330 0.000 0.910 74 M CB 1.290 33.862 32.600 -0.047 0.000 1.659 74 M HN 0.601 nan 8.290 nan 0.000 0.445 75 F N 2.002 121.951 119.950 -0.002 0.000 2.508 75 F HA 0.585 5.112 4.527 0.000 0.000 0.325 75 F C -0.159 175.640 175.800 -0.001 0.000 1.090 75 F CA -0.522 57.497 58.000 0.031 0.000 0.945 75 F CB 1.561 40.560 39.000 -0.001 0.000 1.156 75 F HN 0.470 nan 8.300 nan 0.000 0.463 76 D N 2.217 122.703 120.400 0.143 0.000 2.738 76 D HA 0.255 4.895 4.640 0.001 0.000 0.237 76 D C 0.319 176.642 176.300 0.038 0.000 1.123 76 D CA -0.356 53.684 54.000 0.067 0.000 0.856 76 D CB 2.630 43.450 40.800 0.035 0.000 1.552 76 D HN 0.667 nan 8.370 nan 0.000 0.480 77 I N 1.604 122.151 120.570 -0.038 0.000 2.928 77 I HA 0.104 4.274 4.170 0.001 0.000 0.266 77 I C 1.017 177.090 176.117 -0.073 0.000 1.234 77 I CA 0.555 61.787 61.300 -0.113 0.000 1.483 77 I CB 0.171 37.988 38.000 -0.304 0.000 1.097 77 I HN 0.317 nan 8.210 nan 0.000 0.455 78 G N -0.036 108.745 108.800 -0.032 0.000 2.642 78 G HA2 0.429 4.390 3.960 0.001 0.000 0.291 78 G HA3 0.429 4.390 3.960 0.001 0.000 0.291 78 G C -0.950 173.967 174.900 0.027 0.000 1.345 78 G CA -0.423 44.683 45.100 0.010 0.000 1.043 78 G HN 0.263 nan 8.290 nan 0.000 0.528 79 E N -1.420 118.802 120.200 0.037 0.000 2.320 79 E HA 0.392 4.742 4.350 0.001 0.000 0.264 79 E C -0.598 176.022 176.600 0.034 0.000 0.923 79 E CA -0.732 55.690 56.400 0.036 0.000 0.796 79 E CB 2.606 32.331 29.700 0.042 0.000 1.262 79 E HN 0.256 nan 8.360 nan 0.000 0.428 80 I N 2.434 123.021 120.570 0.029 0.000 2.452 80 I HA 0.032 4.202 4.170 0.001 0.000 0.287 80 I C 0.130 176.271 176.117 0.040 0.000 1.079 80 I CA 0.581 61.900 61.300 0.031 0.000 1.387 80 I CB 0.234 38.246 38.000 0.020 0.000 1.404 80 I HN 0.550 nan 8.210 nan 0.000 0.522 81 D N 2.577 123.007 120.400 0.051 0.000 2.704 81 D HA -0.002 4.639 4.640 0.001 0.000 0.291 81 D C 0.221 176.569 176.300 0.081 0.000 1.610 81 D CA -0.180 53.856 54.000 0.061 0.000 0.807 81 D CB 0.067 40.902 40.800 0.059 0.000 1.233 81 D HN 0.228 nan 8.370 nan 0.000 0.445 82 S N 0.100 115.850 115.700 0.084 0.000 2.601 82 S HA 0.598 5.068 4.470 0.001 0.000 0.244 82 S C 0.852 175.519 174.600 0.113 0.000 1.001 82 S CA 0.191 58.459 58.200 0.113 0.000 0.984 82 S CB 0.302 63.567 63.200 0.108 0.000 0.842 82 S HN 0.822 nan 8.310 nan 0.000 0.474 83 G N 1.136 109.992 108.800 0.093 0.000 2.693 83 G HA2 -0.227 3.733 3.960 0.001 0.000 0.226 83 G HA3 -0.227 3.733 3.960 0.001 0.000 0.226 83 G C 0.348 175.284 174.900 0.060 0.000 1.354 83 G CA -0.252 44.896 45.100 0.081 0.000 0.873 83 G HN 0.324 nan 8.290 nan 0.000 0.562 84 L N 0.232 121.485 121.223 0.049 0.000 2.291 84 L HA 0.090 4.430 4.340 0.001 0.000 0.214 84 L C 1.576 178.461 176.870 0.025 0.000 1.120 84 L CA 0.932 55.790 54.840 0.030 0.000 0.799 84 L CB -0.292 41.779 42.059 0.020 0.000 0.925 84 L HN 0.333 nan 8.230 nan 0.000 0.446 85 K N 1.776 122.200 120.400 0.040 0.000 2.292 85 K HA 0.290 4.611 4.320 0.001 0.000 0.290 85 K C -0.268 176.355 176.600 0.039 0.000 1.083 85 K CA -0.191 56.115 56.287 0.033 0.000 0.918 85 K CB 0.804 33.337 32.500 0.055 0.000 1.089 85 K HN 0.108 nan 8.250 nan 0.000 0.473 86 I N 2.000 122.578 120.570 0.012 0.000 2.598 86 I HA -0.059 4.111 4.170 0.001 0.000 0.284 86 I C 1.339 177.475 176.117 0.031 0.000 1.140 86 I CA 0.751 62.062 61.300 0.019 0.000 1.420 86 I CB 0.342 38.343 38.000 0.003 0.000 1.387 86 I HN 0.974 nan 8.210 nan 0.000 0.553 87 G N 4.172 113.001 108.800 0.049 0.000 2.143 87 G HA2 -0.202 3.758 3.960 0.001 0.000 0.249 87 G HA3 -0.202 3.758 3.960 0.001 0.000 0.249 87 G C 0.352 175.299 174.900 0.079 0.000 0.981 87 G CA 0.017 45.148 45.100 0.052 0.000 0.665 87 G HN 0.946 nan 8.290 nan 0.000 0.528 88 A N -0.311 122.573 122.820 0.106 0.000 2.280 88 A HA 0.606 4.926 4.320 0.001 0.000 0.268 88 A C 0.562 178.273 177.584 0.211 0.000 1.111 88 A CA -0.195 51.944 52.037 0.169 0.000 0.814 88 A CB 0.207 19.312 19.000 0.174 0.000 1.093 88 A HN 0.606 nan 8.150 nan 0.000 0.498 89 H N 0.267 119.472 119.070 0.225 0.000 2.767 89 H HA 0.134 4.690 4.556 0.001 0.000 0.316 89 H C 0.722 176.188 175.328 0.230 0.000 1.059 89 H CA 0.552 56.750 56.048 0.249 0.000 1.461 89 H CB 0.891 30.815 29.762 0.270 0.000 1.475 89 H HN 0.649 nan 8.280 nan 0.000 0.531 90 K N 3.466 124.133 120.400 0.445 0.000 2.442 90 K HA -0.110 4.211 4.320 0.001 0.000 0.198 90 K C 1.672 178.564 176.600 0.485 0.000 1.042 90 K CA 0.616 57.196 56.287 0.488 0.000 0.958 90 K CB 0.374 33.160 32.500 0.478 0.000 0.766 90 K HN 0.396 nan 8.250 nan 0.000 0.474 91 K N 1.005 121.544 120.400 0.231 0.000 2.439 91 K HA -0.018 4.302 4.320 0.001 0.000 0.197 91 K C 0.430 177.032 176.600 0.004 0.000 1.041 91 K CA 0.574 56.609 56.287 -0.419 0.000 0.970 91 K CB 0.236 32.065 32.500 -1.118 0.000 0.773 91 K HN -0.022 nan 8.250 nan 0.000 0.479 92 N N 1.698 120.517 118.700 0.198 0.000 2.623 92 N HA -0.014 4.727 4.740 0.001 0.000 0.263 92 N C -0.929 174.836 175.510 0.425 0.000 1.218 92 N CA 0.285 53.495 53.050 0.268 0.000 0.949 92 N CB 0.577 39.257 38.487 0.322 0.000 1.270 92 N HN 0.257 nan 8.380 nan 0.000 0.507 93 T N -4.464 110.322 114.554 0.387 0.000 2.912 93 T HA 0.346 4.696 4.350 0.001 0.000 0.288 93 T C 1.467 176.405 174.700 0.396 0.000 1.030 93 T CA -0.794 61.522 62.100 0.360 0.000 1.020 93 T CB 1.577 70.606 68.868 0.270 0.000 1.056 93 T HN -0.182 nan 8.240 nan 0.000 0.480 94 V N 1.267 121.378 119.914 0.328 0.000 2.332 94 V HA -0.135 3.986 4.120 0.001 0.000 0.248 94 V C 2.813 179.005 176.094 0.163 0.000 1.055 94 V CA 2.399 64.868 62.300 0.282 0.000 1.038 94 V CB -1.044 30.849 31.823 0.118 0.000 0.651 94 V HN 1.034 nan 8.190 nan 0.000 0.450 95 E N -0.281 119.955 120.200 0.060 0.000 2.077 95 E HA -0.213 4.137 4.350 0.001 0.000 0.193 95 E C 2.009 178.563 176.600 -0.077 0.000 0.989 95 E CA 1.695 58.061 56.400 -0.056 0.000 0.800 95 E CB -0.376 29.224 29.700 -0.167 0.000 0.746 95 E HN 0.668 nan 8.360 nan 0.000 0.452 96 Y N 0.721 121.099 120.300 0.130 0.000 2.314 96 Y HA -0.019 4.531 4.550 0.001 0.000 0.293 96 Y C 2.090 178.022 175.900 0.053 0.000 1.129 96 Y CA 1.313 59.479 58.100 0.110 0.000 1.201 96 Y CB -0.143 38.394 38.460 0.128 0.000 0.999 96 Y HN 0.183 nan 8.280 nan 0.000 0.541 97 Q N -0.346 119.557 119.800 0.172 0.000 2.451 97 Q HA -0.055 4.286 4.340 0.001 0.000 0.206 97 Q C 1.429 177.488 176.000 0.097 0.000 0.947 97 Q CA 0.569 56.423 55.803 0.084 0.000 0.937 97 Q CB 0.054 28.761 28.738 -0.051 0.000 1.025 97 Q HN 0.445 nan 8.270 nan 0.000 0.511 98 K N 0.286 120.749 120.400 0.105 0.000 2.379 98 K HA 0.102 4.422 4.320 0.001 0.000 0.194 98 K C 0.308 176.950 176.600 0.070 0.000 1.031 98 K CA 0.284 56.616 56.287 0.076 0.000 1.037 98 K CB 0.581 33.117 32.500 0.060 0.000 0.824 98 K HN 0.083 nan 8.250 nan 0.000 0.516 99 N N 1.234 119.994 118.700 0.101 0.000 2.664 99 N HA 0.026 4.766 4.740 0.001 0.000 0.287 99 N C 0.086 175.709 175.510 0.188 0.000 1.869 99 N CA 0.053 53.172 53.050 0.115 0.000 0.832 99 N CB 1.043 39.585 38.487 0.092 0.000 1.293 99 N HN 0.000 nan 8.380 nan 0.000 0.498 100 I N 2.340 123.000 120.570 0.150 0.000 2.315 100 I HA -0.198 3.972 4.170 0.001 0.000 0.248 100 I C 1.678 177.890 176.117 0.158 0.000 1.117 100 I CA 1.646 63.039 61.300 0.155 0.000 1.404 100 I CB -0.438 37.606 38.000 0.075 0.000 1.071 100 I HN 0.321 nan 8.210 nan 0.000 0.419 101 D N 0.872 121.340 120.400 0.113 0.000 2.263 101 D HA -0.294 4.347 4.640 0.001 0.000 0.193 101 D C 1.400 177.777 176.300 0.128 0.000 1.013 101 D CA 1.332 55.389 54.000 0.095 0.000 0.892 101 D CB -0.628 40.215 40.800 0.072 0.000 0.909 101 D HN 0.317 nan 8.370 nan 0.000 0.449 102 K N -0.285 120.234 120.400 0.198 0.000 2.432 102 K HA 0.019 4.339 4.320 0.001 0.000 0.196 102 K C 1.737 178.461 176.600 0.207 0.000 1.038 102 K CA -0.106 56.318 56.287 0.228 0.000 0.986 102 K CB -0.582 32.106 32.500 0.313 0.000 0.782 102 K HN 0.256 nan 8.250 nan 0.000 0.485 103 F N 1.578 121.522 119.950 -0.009 0.000 2.325 103 F HA -0.151 4.376 4.527 0.001 0.000 0.299 103 F C 1.772 177.497 175.800 -0.126 0.000 1.090 103 F CA 0.460 58.313 58.000 -0.244 0.000 1.392 103 F CB -0.070 38.748 39.000 -0.305 0.000 1.053 103 F HN -0.291 nan 8.300 nan 0.000 0.521 104 V N 0.692 120.617 119.914 0.018 0.000 2.363 104 V HA -0.426 3.695 4.120 0.001 0.000 0.254 104 V C 1.833 177.859 176.094 -0.113 0.000 1.074 104 V CA 2.523 64.825 62.300 0.003 0.000 1.069 104 V CB -1.182 30.683 31.823 0.070 0.000 0.659 104 V HN 0.402 nan 8.190 nan 0.000 0.455 105 N N -0.190 118.443 118.700 -0.110 0.000 2.244 105 N HA -0.111 4.629 4.740 0.001 0.000 0.183 105 N C 1.619 176.999 175.510 -0.217 0.000 1.016 105 N CA 1.208 54.195 53.050 -0.106 0.000 0.866 105 N CB -0.273 38.199 38.487 -0.025 0.000 0.980 105 N HN 0.360 nan 8.380 nan 0.000 0.430 106 V N 1.180 120.842 119.914 -0.419 0.000 2.343 106 V HA -0.182 3.938 4.120 0.001 0.000 0.247 106 V C 2.016 177.769 176.094 -0.567 0.000 1.051 106 V CA 1.371 63.342 62.300 -0.548 0.000 1.036 106 V CB -0.473 30.765 31.823 -0.975 0.000 0.654 106 V HN 0.314 nan 8.190 nan 0.000 0.451 107 I N -0.399 119.743 120.570 -0.713 0.000 2.226 107 I HA -0.296 3.875 4.170 0.001 0.000 0.245 107 I C 2.669 178.481 176.117 -0.508 0.000 1.100 107 I CA 1.585 62.445 61.300 -0.734 0.000 1.374 107 I CB -0.374 37.129 38.000 -0.828 0.000 1.057 107 I HN 0.348 nan 8.210 nan 0.000 0.413 108 Q N 0.398 120.019 119.800 -0.299 0.000 2.167 108 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 108 Q C 2.262 178.189 176.000 -0.121 0.000 0.970 108 Q CA 1.438 57.159 55.803 -0.137 0.000 0.855 108 Q CB -0.333 28.388 28.738 -0.027 0.000 0.911 108 Q HN 0.625 nan 8.270 nan 0.000 0.438 109 G N 0.904 109.620 108.800 -0.140 0.000 2.559 109 G HA2 -0.214 3.747 3.960 0.001 0.000 0.216 109 G HA3 -0.214 3.747 3.960 0.001 0.000 0.216 109 G C 0.868 175.724 174.900 -0.074 0.000 1.126 109 G CA 0.522 45.570 45.100 -0.086 0.000 0.778 109 G HN 0.455 nan 8.290 nan 0.000 0.543 110 Q N -0.582 119.147 119.800 -0.118 0.000 2.110 110 Q HA 0.410 4.751 4.340 0.001 0.000 0.232 110 Q C -0.277 175.696 176.000 -0.044 0.000 0.810 110 Q CA -0.268 55.502 55.803 -0.055 0.000 1.083 110 Q CB 0.253 28.981 28.738 -0.016 0.000 1.193 110 Q HN 0.239 nan 8.270 nan 0.000 0.471 111 L N 1.987 123.162 121.223 -0.079 0.000 2.301 111 L HA 0.510 4.850 4.340 0.001 0.000 0.278 111 L C -0.892 175.985 176.870 0.012 0.000 1.022 111 L CA -0.800 54.017 54.840 -0.038 0.000 0.854 111 L CB 1.094 43.095 42.059 -0.097 0.000 1.226 111 L HN 0.172 nan 8.230 nan 0.000 0.429 112 M N 2.114 121.745 119.600 0.052 0.000 2.080 112 M HA 0.241 4.722 4.480 0.001 0.000 0.350 112 M C 0.329 176.674 176.300 0.074 0.000 1.173 112 M CA 0.036 55.377 55.300 0.068 0.000 1.052 112 M CB 1.415 34.076 32.600 0.103 0.000 1.577 112 M HN 0.311 nan 8.290 nan 0.000 0.455 113 S N 2.027 117.761 115.700 0.057 0.000 2.552 113 S HA 0.078 4.549 4.470 0.001 0.000 0.289 113 S C 1.558 176.201 174.600 0.072 0.000 1.304 113 S CA -0.585 57.649 58.200 0.056 0.000 1.063 113 S CB 0.518 63.740 63.200 0.037 0.000 0.848 113 S HN 0.583 nan 8.310 nan 0.000 0.499 114 V N 2.646 122.613 119.914 0.089 0.000 2.261 114 V HA -0.039 4.081 4.120 0.001 0.000 0.246 114 V C 1.252 177.363 176.094 0.029 0.000 1.047 114 V CA 1.594 63.944 62.300 0.083 0.000 1.015 114 V CB -0.187 31.733 31.823 0.162 0.000 0.642 114 V HN 0.799 nan 8.190 nan 0.000 0.446 115 S N -0.664 115.070 115.700 0.057 0.000 2.736 115 S HA 0.552 5.023 4.470 0.001 0.000 0.285 115 S C -1.152 173.452 174.600 0.007 0.000 1.163 115 S CA -0.508 57.686 58.200 -0.011 0.000 1.025 115 S CB 1.538 64.703 63.200 -0.059 0.000 1.030 115 S HN 0.029 nan 8.310 nan 0.000 0.486 116 V N 7.713 127.619 119.914 -0.013 0.000 2.357 116 V HA 0.559 4.679 4.120 0.001 0.000 0.284 116 V C -2.006 174.071 176.094 -0.028 0.000 1.018 116 V CA -1.846 60.445 62.300 -0.015 0.000 0.841 116 V CB 1.510 33.326 31.823 -0.012 0.000 0.991 116 V HN 0.735 nan 8.190 nan 0.000 0.437 117 P HA 0.146 nan 4.420 nan 0.000 0.272 117 P C -0.061 177.213 177.300 -0.043 0.000 1.230 117 P CA -0.048 63.031 63.100 -0.037 0.000 0.788 117 P CB 0.984 32.662 31.700 -0.037 0.000 0.949 118 V N 2.716 122.607 119.914 -0.038 0.000 2.694 118 V HA -0.069 4.051 4.120 0.001 0.000 0.306 118 V C 1.301 177.345 176.094 -0.083 0.000 1.054 118 V CA 0.411 62.684 62.300 -0.045 0.000 1.161 118 V CB -0.645 31.171 31.823 -0.012 0.000 0.916 118 V HN 0.649 nan 8.190 nan 0.000 0.490 119 N N 3.209 121.850 118.700 -0.098 0.000 2.499 119 N HA 0.168 4.909 4.740 0.001 0.000 0.281 119 N C 0.478 175.828 175.510 -0.267 0.000 1.098 119 N CA 0.324 53.293 53.050 -0.136 0.000 0.979 119 N CB 1.684 40.117 38.487 -0.091 0.000 1.121 119 N HN 0.864 nan 8.380 nan 0.000 0.466 120 T N 0.640 114.932 114.554 -0.436 0.000 3.288 120 T HA 0.292 4.643 4.350 0.001 0.000 0.293 120 T C 0.657 174.920 174.700 -0.728 0.000 1.008 120 T CA -0.424 61.050 62.100 -1.043 0.000 0.929 120 T CB -0.540 67.794 68.868 -0.890 0.000 1.152 120 T HN 0.259 nan 8.240 nan 0.000 0.517 121 L N 1.828 122.881 121.223 -0.284 0.000 2.426 121 L HA 0.448 4.789 4.340 0.001 0.000 0.271 121 L C 0.069 176.971 176.870 0.052 0.000 1.169 121 L CA -0.873 53.905 54.840 -0.103 0.000 0.836 121 L CB 1.088 43.119 42.059 -0.046 0.000 1.112 121 L HN 0.061 nan 8.230 nan 0.000 0.465 122 V N 4.243 124.206 119.914 0.082 0.000 2.406 122 V HA 0.183 4.303 4.120 0.001 0.000 0.272 122 V C 0.103 176.261 176.094 0.106 0.000 1.043 122 V CA -0.490 61.912 62.300 0.171 0.000 0.915 122 V CB 1.466 33.373 31.823 0.139 0.000 0.988 122 V HN 0.412 nan 8.190 nan 0.000 0.466 123 V N 5.280 125.260 119.914 0.109 0.000 2.293 123 V HA 0.333 4.453 4.120 0.001 0.000 0.275 123 V C 0.241 176.365 176.094 0.050 0.000 1.021 123 V CA -0.438 61.903 62.300 0.069 0.000 0.815 123 V CB 1.211 33.077 31.823 0.070 0.000 1.025 123 V HN 1.052 nan 8.190 nan 0.000 0.448 124 D N 1.944 122.365 120.400 0.036 0.000 2.440 124 D HA -0.014 4.626 4.640 0.001 0.000 0.216 124 D C 1.235 177.542 176.300 0.013 0.000 1.150 124 D CA 0.305 54.316 54.000 0.019 0.000 0.832 124 D CB 0.396 41.207 40.800 0.017 0.000 0.992 124 D HN 0.545 nan 8.370 nan 0.000 0.502 125 T N -1.345 113.220 114.554 0.018 0.000 3.243 125 T HA 0.326 4.677 4.350 0.001 0.000 0.264 125 T C 0.727 175.438 174.700 0.018 0.000 1.000 125 T CA -0.610 61.499 62.100 0.015 0.000 0.901 125 T CB -0.527 68.350 68.868 0.016 0.000 1.083 125 T HN 0.030 nan 8.240 nan 0.000 0.559 126 L N 1.705 122.940 121.223 0.020 0.000 2.483 126 L HA 0.268 4.609 4.340 0.001 0.000 0.275 126 L C 1.185 178.064 176.870 0.015 0.000 1.220 126 L CA -0.526 54.328 54.840 0.023 0.000 0.833 126 L CB 0.296 42.370 42.059 0.025 0.000 1.102 126 L HN 0.269 nan 8.230 nan 0.000 0.490 127 S N 1.653 117.365 115.700 0.020 0.000 2.568 127 S HA 0.105 4.576 4.470 0.001 0.000 0.282 127 S C -1.428 173.176 174.600 0.007 0.000 1.338 127 S CA -1.040 57.169 58.200 0.014 0.000 1.045 127 S CB 0.879 64.091 63.200 0.021 0.000 0.873 127 S HN 0.388 nan 8.310 nan 0.000 0.516 128 P HA -0.087 nan 4.420 nan 0.000 0.218 128 P C 1.359 178.654 177.300 -0.008 0.000 1.146 128 P CA 1.432 64.525 63.100 -0.012 0.000 0.813 128 P CB -0.175 31.518 31.700 -0.010 0.000 0.778 129 T N -5.736 108.823 114.554 0.008 0.000 3.067 129 T HA 0.096 4.446 4.350 0.001 0.000 0.261 129 T C 1.011 175.736 174.700 0.042 0.000 1.110 129 T CA 0.147 62.260 62.100 0.021 0.000 1.113 129 T CB -0.469 68.415 68.868 0.027 0.000 0.917 129 T HN -0.109 nan 8.240 nan 0.000 0.499 130 S N 1.133 116.861 115.700 0.046 0.000 2.565 130 S HA 0.348 4.818 4.470 0.001 0.000 0.274 130 S C -0.643 174.023 174.600 0.109 0.000 1.309 130 S CA -1.012 57.243 58.200 0.092 0.000 1.043 130 S CB 0.256 63.508 63.200 0.087 0.000 0.939 130 S HN 0.573 nan 8.310 nan 0.000 0.504 131 W N 3.103 124.412 121.300 0.014 0.000 2.343 131 W HA 0.115 4.776 4.660 0.001 0.000 0.337 131 W C 0.345 176.879 176.519 0.024 0.000 1.320 131 W CA 0.551 57.904 57.345 0.013 0.000 1.290 131 W CB 0.155 29.623 29.460 0.014 0.000 1.206 131 W HN 0.537 nan 8.180 nan 0.000 0.565 132 Q N 5.080 124.503 119.800 -0.628 0.000 2.323 132 Q HA 0.592 4.932 4.340 0.001 0.000 0.271 132 Q C -0.518 174.928 176.000 -0.925 0.000 1.048 132 Q CA -0.881 54.635 55.803 -0.479 0.000 0.792 132 Q CB 1.675 30.246 28.738 -0.279 0.000 1.280 132 Q HN 0.603 nan 8.270 nan 0.000 0.441 133 A N 2.287 124.817 122.820 -0.483 0.000 2.483 133 A HA 0.191 4.511 4.320 0.001 0.000 0.238 133 A C 0.434 177.842 177.584 -0.293 0.000 1.070 133 A CA 0.184 52.053 52.037 -0.280 0.000 0.770 133 A CB 0.516 19.618 19.000 0.171 0.000 1.008 133 A HN 0.870 nan 8.150 nan 0.000 0.497 134 S N -0.526 115.040 115.700 -0.222 0.000 2.511 134 S HA 0.167 4.638 4.470 0.001 0.000 0.214 134 S C 0.736 175.222 174.600 -0.190 0.000 0.997 134 S CA 0.690 58.772 58.200 -0.196 0.000 0.908 134 S CB -0.017 63.093 63.200 -0.150 0.000 0.803 134 S HN 1.149 nan 8.310 nan 0.000 0.504 135 T N -1.313 113.162 114.554 -0.132 0.000 2.812 135 T HA 0.633 4.984 4.350 0.001 0.000 0.294 135 T C -1.139 173.471 174.700 -0.149 0.000 1.159 135 T CA -0.737 61.263 62.100 -0.166 0.000 1.008 135 T CB 0.641 69.529 68.868 0.034 0.000 1.289 135 T HN -0.090 nan 8.240 nan 0.000 0.514 136 F N 2.866 122.896 119.950 0.134 0.000 2.541 136 F HA 0.428 4.955 4.527 0.001 0.000 0.351 136 F C 0.344 176.183 175.800 0.064 0.000 1.209 136 F CA -1.786 56.245 58.000 0.053 0.000 1.277 136 F CB -0.832 38.172 39.000 0.006 0.000 1.632 136 F HN 0.576 nan 8.300 nan 0.000 0.619 137 F N -0.803 119.254 119.950 0.179 0.000 2.375 137 F HA 0.637 5.165 4.527 0.001 0.000 0.313 137 F C -0.061 175.812 175.800 0.122 0.000 1.176 137 F CA -1.646 56.433 58.000 0.132 0.000 1.142 137 F CB 0.015 39.083 39.000 0.113 0.000 1.275 137 F HN -0.159 nan 8.300 nan 0.000 0.544 138 V N 2.942 122.988 119.914 0.221 0.000 2.409 138 V HA 0.204 4.325 4.120 0.001 0.000 0.270 138 V C 0.092 176.188 176.094 0.004 0.000 1.019 138 V CA 0.048 62.392 62.300 0.073 0.000 1.066 138 V CB -1.094 30.799 31.823 0.117 0.000 1.021 138 V HN 0.688 nan 8.190 nan 0.000 0.476 139 R N 3.896 124.290 120.500 -0.177 0.000 2.778 139 R HA 0.505 4.846 4.340 0.001 0.000 0.277 139 R C 0.269 176.531 176.300 -0.063 0.000 0.977 139 R CA -0.923 55.075 56.100 -0.171 0.000 0.950 139 R CB 0.963 31.052 30.300 -0.352 0.000 1.165 139 R HN 0.677 nan 8.270 nan 0.000 0.474 140 N N 0.999 119.687 118.700 -0.019 0.000 2.725 140 N HA -0.194 4.547 4.740 0.001 0.000 0.251 140 N C 0.506 176.011 175.510 -0.008 0.000 1.031 140 N CA 1.374 54.417 53.050 -0.011 0.000 0.720 140 N CB -1.201 37.274 38.487 -0.021 0.000 0.930 140 N HN 1.093 nan 8.380 nan 0.000 0.543 141 G N -1.452 107.349 108.800 0.001 0.000 2.186 141 G HA2 -0.381 3.579 3.960 0.001 0.000 0.266 141 G HA3 -0.381 3.579 3.960 0.001 0.000 0.266 141 G C 0.463 175.362 174.900 -0.002 0.000 0.982 141 G CA 1.084 46.186 45.100 0.004 0.000 0.670 141 G HN 1.222 nan 8.290 nan 0.000 0.533 142 S N -0.626 115.067 115.700 -0.012 0.000 2.569 142 S HA 0.345 4.816 4.470 0.001 0.000 0.274 142 S C 0.241 174.835 174.600 -0.011 0.000 1.353 142 S CA 0.045 58.234 58.200 -0.017 0.000 1.023 142 S CB 1.457 64.638 63.200 -0.031 0.000 0.876 142 S HN 0.567 nan 8.310 nan 0.000 0.540 143 N N 2.003 120.689 118.700 -0.023 0.000 2.485 143 N HA 0.337 5.077 4.740 0.001 0.000 0.243 143 N C -1.711 173.786 175.510 -0.022 0.000 0.987 143 N CA -2.537 50.493 53.050 -0.033 0.000 0.940 143 N CB 1.109 39.549 38.487 -0.078 0.000 1.122 143 N HN 0.336 nan 8.380 nan 0.000 0.509 144 P HA -0.043 nan 4.420 nan 0.000 0.230 144 P C 0.285 177.606 177.300 0.036 0.000 1.158 144 P CA 0.876 63.994 63.100 0.029 0.000 0.769 144 P CB 0.567 32.300 31.700 0.054 0.000 0.807 145 E N -0.327 119.882 120.200 0.016 0.000 2.371 145 E HA -0.062 4.289 4.350 0.001 0.000 0.194 145 E C 0.873 177.475 176.600 0.003 0.000 1.012 145 E CA 0.442 56.875 56.400 0.055 0.000 0.860 145 E CB -0.046 29.657 29.700 0.006 0.000 0.811 145 E HN 0.317 nan 8.360 nan 0.000 0.502 146 Q N 2.166 121.929 119.800 -0.062 0.000 2.294 146 Q HA 0.041 4.381 4.340 0.001 0.000 0.257 146 Q C -0.801 175.194 176.000 -0.008 0.000 0.955 146 Q CA -0.239 55.518 55.803 -0.076 0.000 0.936 146 Q CB 0.889 29.571 28.738 -0.093 0.000 1.188 146 Q HN -0.217 nan 8.270 nan 0.000 0.420 147 D N 5.924 126.337 120.400 0.021 0.000 2.339 147 D HA 0.080 4.721 4.640 0.001 0.000 0.256 147 D C -1.677 174.628 176.300 0.009 0.000 1.214 147 D CA -1.939 52.077 54.000 0.026 0.000 0.877 147 D CB 1.314 42.143 40.800 0.049 0.000 1.111 147 D HN 0.443 nan 8.370 nan 0.000 0.478 148 P HA -0.105 nan 4.420 nan 0.000 0.222 148 P C 1.261 178.554 177.300 -0.012 0.000 1.147 148 P CA 0.775 63.864 63.100 -0.017 0.000 0.790 148 P CB 0.285 31.965 31.700 -0.034 0.000 0.780 149 L N -1.224 119.996 121.223 -0.005 0.000 2.592 149 L HA 0.163 4.503 4.340 0.001 0.000 0.227 149 L C 1.292 178.165 176.870 0.004 0.000 1.127 149 L CA 0.276 55.113 54.840 -0.005 0.000 0.884 149 L CB -0.276 41.778 42.059 -0.007 0.000 1.065 149 L HN -0.136 nan 8.230 nan 0.000 0.457 150 R N -0.224 120.286 120.500 0.018 0.000 2.648 150 R HA 0.216 4.556 4.340 0.001 0.000 0.341 150 R C -0.561 175.778 176.300 0.064 0.000 1.154 150 R CA -0.280 55.841 56.100 0.036 0.000 1.228 150 R CB 0.297 30.622 30.300 0.043 0.000 1.311 150 R HN 0.024 nan 8.270 nan 0.000 0.659 151 N N 0.628 119.344 118.700 0.027 0.000 2.432 151 N HA 0.387 5.128 4.740 0.001 0.000 0.292 151 N C -0.684 174.738 175.510 -0.146 0.000 1.193 151 N CA -0.715 52.340 53.050 0.009 0.000 0.878 151 N CB 1.305 39.795 38.487 0.006 0.000 1.252 151 N HN 0.111 nan 8.380 nan 0.000 0.520 152 L N 2.142 123.128 121.223 -0.396 0.000 2.475 152 L HA 0.205 4.546 4.340 0.001 0.000 0.253 152 L C 1.509 178.184 176.870 -0.325 0.000 1.137 152 L CA -0.288 54.184 54.840 -0.614 0.000 1.058 152 L CB 0.292 41.583 42.059 -1.280 0.000 1.382 152 L HN 0.673 nan 8.230 nan 0.000 0.416 153 S N 0.063 115.665 115.700 -0.163 0.000 2.419 153 S HA -0.150 4.320 4.470 0.001 0.000 0.235 153 S C 1.793 176.349 174.600 -0.073 0.000 1.019 153 S CA 1.259 59.411 58.200 -0.079 0.000 0.982 153 S CB -0.226 62.941 63.200 -0.055 0.000 0.789 153 S HN 0.636 nan 8.310 nan 0.000 0.490 154 G N 0.424 109.161 108.800 -0.104 0.000 2.712 154 G HA2 0.100 4.061 3.960 0.001 0.000 0.212 154 G HA3 0.100 4.061 3.960 0.001 0.000 0.212 154 G C 0.583 175.452 174.900 -0.051 0.000 1.142 154 G CA -0.267 44.792 45.100 -0.067 0.000 0.789 154 G HN 0.399 nan 8.290 nan 0.000 0.535 155 Q N 0.546 120.284 119.800 -0.103 0.000 2.337 155 Q HA 0.516 4.856 4.340 0.001 0.000 0.270 155 Q C -0.110 175.914 176.000 0.040 0.000 1.002 155 Q CA 0.238 56.012 55.803 -0.050 0.000 0.888 155 Q CB 1.454 30.133 28.738 -0.098 0.000 1.222 155 Q HN 0.276 nan 8.270 nan 0.000 0.400 156 A N 1.940 124.794 122.820 0.056 0.000 2.594 156 A HA 0.760 5.080 4.320 0.001 0.000 0.291 156 A C -0.932 176.700 177.584 0.079 0.000 1.105 156 A CA -0.560 51.518 52.037 0.068 0.000 0.694 156 A CB 1.361 20.392 19.000 0.052 0.000 1.291 156 A HN 0.477 nan 8.150 nan 0.000 0.410 157 V N -2.249 117.724 119.914 0.098 0.000 3.046 157 V HA 0.949 5.069 4.120 0.001 0.000 0.316 157 V C -0.487 175.689 176.094 0.137 0.000 1.104 157 V CA -0.533 61.844 62.300 0.127 0.000 1.006 157 V CB 1.681 33.617 31.823 0.187 0.000 1.058 157 V HN 0.873 nan 8.190 nan 0.000 0.440 158 T N 2.506 117.143 114.554 0.139 0.000 2.847 158 T HA 0.536 4.887 4.350 0.001 0.000 0.291 158 T C -0.318 174.438 174.700 0.092 0.000 0.998 158 T CA -0.395 61.776 62.100 0.118 0.000 0.967 158 T CB 0.900 69.856 68.868 0.147 0.000 0.954 158 T HN 0.755 nan 8.240 nan 0.000 0.441 159 R N 2.701 123.247 120.500 0.077 0.000 2.471 159 R HA 0.589 4.929 4.340 0.001 0.000 0.292 159 R C -0.370 175.954 176.300 0.039 0.000 1.192 159 R CA -0.534 55.587 56.100 0.035 0.000 1.257 159 R CB 0.492 30.794 30.300 0.002 0.000 1.130 159 R HN 0.528 nan 8.270 nan 0.000 0.558 160 V N -1.906 118.028 119.914 0.033 0.000 3.188 160 V HA 0.470 4.590 4.120 0.001 0.000 0.305 160 V C -0.062 176.047 176.094 0.024 0.000 1.232 160 V CA -1.194 61.127 62.300 0.034 0.000 1.043 160 V CB 1.933 33.782 31.823 0.043 0.000 1.068 160 V HN 0.092 nan 8.190 nan 0.000 0.439 161 V N 2.596 122.527 119.914 0.027 0.000 2.529 161 V HA 0.537 4.657 4.120 0.001 0.000 0.292 161 V C 1.628 177.735 176.094 0.020 0.000 1.028 161 V CA 1.771 64.087 62.300 0.026 0.000 1.074 161 V CB -0.073 31.768 31.823 0.030 0.000 0.958 161 V HN 1.999 nan 8.190 nan 0.000 0.481 162 G N 3.313 112.119 108.800 0.010 0.000 2.213 162 G HA2 0.030 3.990 3.960 0.001 0.000 0.226 162 G HA3 0.030 3.990 3.960 0.001 0.000 0.226 162 G C 0.973 175.834 174.900 -0.065 0.000 0.992 162 G CA 0.223 45.314 45.100 -0.014 0.000 0.632 162 G HN 2.105 nan 8.290 nan 0.000 0.511 163 G N 0.103 108.877 108.800 -0.044 0.000 2.566 163 G HA2 -0.249 3.711 3.960 0.001 0.000 0.280 163 G HA3 -0.249 3.711 3.960 0.001 0.000 0.280 163 G C 1.115 175.933 174.900 -0.136 0.000 1.225 163 G CA 1.106 46.170 45.100 -0.060 0.000 0.966 163 G HN 1.092 nan 8.290 nan 0.000 0.560 164 M N 1.599 121.074 119.600 -0.208 0.000 2.562 164 M HA 0.049 4.529 4.480 0.001 0.000 0.257 164 M C 2.600 178.512 176.300 -0.646 0.000 1.099 164 M CA 1.572 56.608 55.300 -0.440 0.000 1.099 164 M CB -0.093 32.328 32.600 -0.298 0.000 1.427 164 M HN 0.705 nan 8.290 nan 0.000 0.489 165 S N -0.554 114.822 115.700 -0.540 0.000 2.607 165 S HA -0.051 4.420 4.470 0.001 0.000 0.224 165 S C 1.661 176.063 174.600 -0.330 0.000 0.969 165 S CA 1.024 58.753 58.200 -0.785 0.000 0.927 165 S CB -0.914 61.873 63.200 -0.688 0.000 0.772 165 S HN 0.556 nan 8.310 nan 0.000 0.533 166 T N -0.665 113.721 114.554 -0.280 0.000 3.085 166 T HA 0.023 4.373 4.350 0.001 0.000 0.263 166 T C 1.346 175.855 174.700 -0.318 0.000 1.127 166 T CA 0.909 62.893 62.100 -0.194 0.000 1.103 166 T CB -0.679 68.172 68.868 -0.029 0.000 0.921 166 T HN 0.913 nan 8.240 nan 0.000 0.510 167 H N -2.012 116.947 119.070 -0.184 0.000 3.650 167 H HA 0.203 4.759 4.556 0.001 0.000 0.260 167 H C 0.431 175.935 175.328 0.293 0.000 1.194 167 H CA -1.063 55.040 56.048 0.092 0.000 1.135 167 H CB -0.428 29.354 29.762 0.034 0.000 1.612 167 H HN 0.458 nan 8.280 nan 0.000 0.703 168 W N 2.370 123.541 121.300 -0.216 0.000 2.034 168 W HA 0.376 5.036 4.660 0.001 0.000 0.357 168 W C 0.128 176.742 176.519 0.158 0.000 1.326 168 W CA -0.471 56.900 57.345 0.043 0.000 1.318 168 W CB -0.000 29.419 29.460 -0.068 0.000 1.193 168 W HN -0.096 nan 8.180 nan 0.000 0.620 169 S N 0.263 115.939 115.700 -0.040 0.000 2.603 169 S HA 0.032 4.502 4.470 0.001 0.000 0.220 169 S C 0.922 175.140 174.600 -0.636 0.000 0.967 169 S CA 0.574 58.582 58.200 -0.320 0.000 0.920 169 S CB -0.706 62.476 63.200 -0.030 0.000 0.773 169 S HN 0.624 nan 8.310 nan 0.000 0.529 170 C N 0.962 119.493 119.300 -1.282 0.000 4.392 170 C HA -0.173 4.287 4.460 0.001 0.000 0.280 170 C C 1.046 175.597 174.990 -0.731 0.000 1.381 170 C CA -0.263 57.793 59.018 -1.604 0.000 1.871 170 C CB -2.687 24.584 27.740 -0.782 0.000 1.323 170 C HN 0.729 nan 8.230 nan 0.000 0.772 171 A N 0.982 123.556 122.820 -0.411 0.000 2.409 171 A HA 0.582 4.903 4.320 0.001 0.000 0.267 171 A C 0.766 178.263 177.584 -0.145 0.000 1.127 171 A CA 1.042 52.974 52.037 -0.175 0.000 0.795 171 A CB 0.232 19.203 19.000 -0.049 0.000 1.061 171 A HN 1.415 nan 8.150 nan 0.000 0.502 172 T N 1.254 115.740 114.554 -0.114 0.000 3.542 172 T HA 0.482 4.833 4.350 0.001 0.000 0.276 172 T C -2.720 171.929 174.700 -0.085 0.000 1.412 172 T CA -1.408 60.651 62.100 -0.068 0.000 1.664 172 T CB 0.502 69.350 68.868 -0.034 0.000 0.863 172 T HN 0.448 nan 8.240 nan 0.000 0.661 173 P HA 0.293 nan 4.420 nan 0.000 0.271 173 P C -0.133 177.027 177.300 -0.233 0.000 1.218 173 P CA -0.420 62.578 63.100 -0.171 0.000 0.780 173 P CB 0.954 32.516 31.700 -0.230 0.000 0.901 174 R N 1.338 121.615 120.500 -0.372 0.000 2.582 174 R HA 0.390 4.731 4.340 0.001 0.000 0.271 174 R C 0.075 176.250 176.300 -0.209 0.000 1.078 174 R CA -0.388 55.294 56.100 -0.697 0.000 1.127 174 R CB 0.218 30.015 30.300 -0.839 0.000 1.038 174 R HN 0.389 nan 8.270 nan 0.000 0.500 175 F N 1.642 121.372 119.950 -0.367 0.000 2.385 175 F HA 0.094 4.622 4.527 0.001 0.000 0.336 175 F C 0.920 176.537 175.800 -0.305 0.000 1.100 175 F CA -1.656 56.150 58.000 -0.324 0.000 1.116 175 F CB 0.550 39.344 39.000 -0.343 0.000 1.166 175 F HN 0.539 nan 8.300 nan 0.000 0.511 176 D N 1.981 122.305 120.400 -0.127 0.000 2.411 176 D HA 0.173 4.813 4.640 0.001 0.000 0.251 176 D C 0.984 177.198 176.300 -0.143 0.000 1.201 176 D CA -0.447 53.478 54.000 -0.125 0.000 0.996 176 D CB 0.612 41.345 40.800 -0.111 0.000 1.101 176 D HN 0.462 nan 8.370 nan 0.000 0.504 177 R N -0.291 120.152 120.500 -0.096 0.000 2.091 177 R HA -0.169 4.171 4.340 0.001 0.000 0.238 177 R C 2.064 178.311 176.300 -0.089 0.000 1.136 177 R CA 1.537 57.588 56.100 -0.081 0.000 0.959 177 R CB -0.335 29.951 30.300 -0.023 0.000 0.856 177 R HN 0.651 nan 8.270 nan 0.000 0.437 178 E N 0.788 120.933 120.200 -0.090 0.000 2.171 178 E HA -0.235 4.116 4.350 0.001 0.000 0.197 178 E C 1.788 178.289 176.600 -0.164 0.000 0.997 178 E CA 1.285 57.639 56.400 -0.077 0.000 0.810 178 E CB 0.180 29.883 29.700 0.004 0.000 0.738 178 E HN 0.429 nan 8.360 nan 0.000 0.467 179 Q N -0.600 119.008 119.800 -0.320 0.000 2.376 179 Q HA 0.075 4.415 4.340 0.001 0.000 0.206 179 Q C 0.607 176.534 176.000 -0.120 0.000 0.921 179 Q CA 0.011 55.577 55.803 -0.396 0.000 0.911 179 Q CB 0.469 28.705 28.738 -0.836 0.000 1.032 179 Q HN -0.031 nan 8.270 nan 0.000 0.510 180 R N 2.154 122.615 120.500 -0.065 0.000 2.404 180 R HA 0.223 4.564 4.340 0.001 0.000 0.291 180 R C -2.393 173.894 176.300 -0.022 0.000 1.025 180 R CA -1.914 54.128 56.100 -0.096 0.000 0.991 180 R CB 0.767 30.794 30.300 -0.454 0.000 1.053 180 R HN -0.079 nan 8.270 nan 0.000 0.479 181 P HA 0.046 nan 4.420 nan 0.000 0.274 181 P C -0.606 176.850 177.300 0.259 0.000 1.231 181 P CA -0.126 63.058 63.100 0.140 0.000 0.790 181 P CB 0.709 32.489 31.700 0.133 0.000 0.951 182 L N 2.619 123.965 121.223 0.206 0.000 2.416 182 L HA 0.110 4.450 4.340 0.001 0.000 0.272 182 L C 1.772 178.796 176.870 0.256 0.000 1.161 182 L CA -0.109 54.918 54.840 0.311 0.000 0.845 182 L CB 0.127 42.414 42.059 0.380 0.000 1.119 182 L HN 0.367 nan 8.230 nan 0.000 0.464 183 L N 3.439 124.843 121.223 0.301 0.000 2.556 183 L HA 0.203 4.544 4.340 0.001 0.000 0.226 183 L C -0.316 176.713 176.870 0.265 0.000 1.089 183 L CA 0.163 55.074 54.840 0.119 0.000 0.864 183 L CB 0.685 42.624 42.059 -0.201 0.000 1.067 183 L HN 0.325 nan 8.230 nan 0.000 0.477 184 V N 0.712 120.804 119.914 0.296 0.000 2.524 184 V HA 0.225 4.345 4.120 0.001 0.000 0.297 184 V C -0.348 175.831 176.094 0.142 0.000 1.035 184 V CA -1.145 61.265 62.300 0.184 0.000 0.867 184 V CB 1.749 33.629 31.823 0.095 0.000 1.004 184 V HN 0.100 nan 8.190 nan 0.000 0.426 185 K N 2.602 122.973 120.400 -0.048 0.000 2.319 185 K HA 0.217 4.537 4.320 0.001 0.000 0.265 185 K C 0.149 176.731 176.600 -0.029 0.000 1.000 185 K CA -0.226 56.006 56.287 -0.093 0.000 0.943 185 K CB 0.267 32.571 32.500 -0.327 0.000 0.950 185 K HN 0.726 nan 8.250 nan 0.000 0.485 186 D N 1.313 121.713 120.400 0.001 0.000 2.811 186 D HA -0.176 4.464 4.640 0.001 0.000 0.231 186 D C -0.579 175.729 176.300 0.014 0.000 1.157 186 D CA 1.356 55.358 54.000 0.003 0.000 0.716 186 D CB -0.647 40.140 40.800 -0.021 0.000 1.077 186 D HN 0.627 nan 8.370 nan 0.000 0.428 187 D N -1.508 118.912 120.400 0.033 0.000 3.036 187 D HA 0.361 5.001 4.640 0.001 0.000 0.244 187 D C 0.991 177.327 176.300 0.059 0.000 1.337 187 D CA 0.266 54.288 54.000 0.037 0.000 0.829 187 D CB 0.203 41.019 40.800 0.027 0.000 1.478 187 D HN 0.012 nan 8.370 nan 0.000 0.570 188 A N 1.500 124.356 122.820 0.060 0.000 1.883 188 A HA -0.185 4.135 4.320 0.001 0.000 0.217 188 A C 1.717 179.348 177.584 0.079 0.000 1.186 188 A CA 1.498 53.580 52.037 0.076 0.000 0.624 188 A CB -0.073 18.963 19.000 0.061 0.000 0.822 188 A HN 0.403 nan 8.150 nan 0.000 0.444 189 D N -0.012 120.424 120.400 0.060 0.000 2.144 189 D HA -0.078 4.562 4.640 0.001 0.000 0.199 189 D C 2.227 178.565 176.300 0.064 0.000 0.984 189 D CA 1.491 55.526 54.000 0.058 0.000 0.834 189 D CB -0.392 40.433 40.800 0.042 0.000 0.955 189 D HN 0.442 nan 8.370 nan 0.000 0.465 190 A N 0.915 123.770 122.820 0.057 0.000 1.902 190 A HA -0.217 4.104 4.320 0.001 0.000 0.217 190 A C 1.984 179.613 177.584 0.075 0.000 1.181 190 A CA 2.053 54.121 52.037 0.053 0.000 0.623 190 A CB -0.618 18.405 19.000 0.039 0.000 0.818 190 A HN 0.208 nan 8.150 nan 0.000 0.443 191 D N -0.293 120.173 120.400 0.111 0.000 2.117 191 D HA -0.167 4.473 4.640 0.001 0.000 0.197 191 D C 1.260 177.712 176.300 0.254 0.000 0.987 191 D CA 1.537 55.644 54.000 0.178 0.000 0.829 191 D CB -0.156 40.777 40.800 0.222 0.000 0.961 191 D HN 0.344 nan 8.370 nan 0.000 0.460 192 D N -0.086 120.435 120.400 0.202 0.000 2.133 192 D HA -0.173 4.467 4.640 0.001 0.000 0.195 192 D C 1.987 178.395 176.300 0.179 0.000 0.997 192 D CA 1.546 55.664 54.000 0.197 0.000 0.840 192 D CB -0.550 40.323 40.800 0.121 0.000 0.947 192 D HN 0.368 nan 8.370 nan 0.000 0.452 193 A N 0.599 123.487 122.820 0.113 0.000 1.898 193 A HA -0.172 4.148 4.320 0.001 0.000 0.216 193 A C 2.145 179.761 177.584 0.053 0.000 1.181 193 A CA 1.838 53.920 52.037 0.076 0.000 0.620 193 A CB -0.529 18.497 19.000 0.044 0.000 0.819 193 A HN 0.206 nan 8.150 nan 0.000 0.442 194 E N -0.952 119.258 120.200 0.016 0.000 2.077 194 E HA -0.223 4.128 4.350 0.001 0.000 0.193 194 E C 1.676 178.200 176.600 -0.127 0.000 0.989 194 E CA 1.665 58.007 56.400 -0.097 0.000 0.800 194 E CB -0.423 29.168 29.700 -0.182 0.000 0.746 194 E HN 0.733 nan 8.360 nan 0.000 0.452 195 W N 0.518 121.785 121.300 -0.055 0.000 2.418 195 W HA -0.042 4.618 4.660 0.001 0.000 0.292 195 W C 2.099 178.616 176.519 -0.002 0.000 1.213 195 W CA 0.985 58.258 57.345 -0.120 0.000 1.283 195 W CB -0.196 29.233 29.460 -0.052 0.000 1.119 195 W HN 0.213 nan 8.180 nan 0.000 0.542 196 D N 0.283 120.864 120.400 0.301 0.000 2.149 196 D HA -0.228 4.412 4.640 0.001 0.000 0.198 196 D C 2.120 178.498 176.300 0.128 0.000 0.990 196 D CA 1.439 55.576 54.000 0.227 0.000 0.839 196 D CB -0.208 40.680 40.800 0.148 0.000 0.948 196 D HN 0.051 nan 8.370 nan 0.000 0.460 197 R N -0.215 120.314 120.500 0.049 0.000 2.066 197 R HA -0.059 4.281 4.340 0.001 0.000 0.232 197 R C 2.471 178.737 176.300 -0.057 0.000 1.131 197 R CA 0.980 57.071 56.100 -0.015 0.000 0.955 197 R CB -0.308 29.963 30.300 -0.047 0.000 0.851 197 R HN 0.246 nan 8.270 nan 0.000 0.432 198 L N -0.399 120.755 121.223 -0.115 0.000 2.027 198 L HA -0.147 4.193 4.340 0.001 0.000 0.206 198 L C 2.354 179.154 176.870 -0.117 0.000 1.074 198 L CA 1.099 55.813 54.840 -0.210 0.000 0.745 198 L CB -0.613 41.208 42.059 -0.397 0.000 0.898 198 L HN 0.186 nan 8.230 nan 0.000 0.433 199 Y N 0.378 120.676 120.300 -0.004 0.000 2.274 199 Y HA -0.220 4.331 4.550 0.001 0.000 0.290 199 Y C 2.846 178.719 175.900 -0.045 0.000 1.145 199 Y CA 1.412 59.515 58.100 0.005 0.000 1.203 199 Y CB -1.044 37.453 38.460 0.062 0.000 0.984 199 Y HN 0.140 nan 8.280 nan 0.000 0.533 200 T N -0.618 114.001 114.554 0.110 0.000 2.821 200 T HA -0.169 4.182 4.350 0.001 0.000 0.267 200 T C 1.967 176.637 174.700 -0.051 0.000 1.046 200 T CA 1.515 63.636 62.100 0.036 0.000 1.139 200 T CB -0.075 68.809 68.868 0.027 0.000 0.871 200 T HN 0.220 nan 8.240 nan 0.000 0.454 201 K N 0.897 121.208 120.400 -0.147 0.000 2.062 201 K HA 0.117 4.437 4.320 0.001 0.000 0.205 201 K C 2.500 178.762 176.600 -0.563 0.000 1.051 201 K CA 0.934 57.008 56.287 -0.357 0.000 0.941 201 K CB -0.267 31.971 32.500 -0.437 0.000 0.719 201 K HN 0.229 nan 8.250 nan 0.000 0.440 202 A N 1.357 123.948 122.820 -0.381 0.000 1.940 202 A HA -0.220 4.100 4.320 0.001 0.000 0.219 202 A C 1.800 179.366 177.584 -0.030 0.000 1.176 202 A CA 1.849 53.718 52.037 -0.281 0.000 0.631 202 A CB -0.509 18.472 19.000 -0.032 0.000 0.814 202 A HN 0.475 nan 8.150 nan 0.000 0.446 203 E N -0.588 119.640 120.200 0.048 0.000 2.110 203 E HA -0.138 4.213 4.350 0.001 0.000 0.193 203 E C 2.255 178.935 176.600 0.133 0.000 0.988 203 E CA 1.071 57.551 56.400 0.133 0.000 0.804 203 E CB -0.208 29.548 29.700 0.092 0.000 0.745 203 E HN 0.600 nan 8.360 nan 0.000 0.458 204 S N -0.081 115.657 115.700 0.062 0.000 2.359 204 S HA -0.207 4.263 4.470 0.001 0.000 0.223 204 S C 1.888 176.646 174.600 0.265 0.000 1.039 204 S CA 1.229 59.508 58.200 0.131 0.000 1.042 204 S CB -0.287 62.979 63.200 0.109 0.000 0.915 204 S HN 0.269 nan 8.310 nan 0.000 0.439 205 Y N 0.165 120.470 120.300 0.007 0.000 2.165 205 Y HA -0.010 4.541 4.550 0.001 0.000 0.286 205 Y C 2.176 178.080 175.900 0.007 0.000 1.155 205 Y CA 0.448 58.512 58.100 -0.060 0.000 1.164 205 Y CB -1.237 37.102 38.460 -0.203 0.000 0.978 205 Y HN 0.332 nan 8.280 nan 0.000 0.513 206 F N -0.005 120.098 119.950 0.255 0.000 2.710 206 F HA 0.017 4.545 4.527 0.001 0.000 0.298 206 F C 0.832 176.743 175.800 0.185 0.000 1.137 206 F CA 0.327 58.468 58.000 0.235 0.000 1.444 206 F CB -0.248 38.908 39.000 0.260 0.000 1.111 206 F HN -0.007 nan 8.300 nan 0.000 0.580 207 Q N 0.242 120.236 119.800 0.323 0.000 2.481 207 Q HA -0.180 4.160 4.340 0.001 0.000 0.283 207 Q C 0.076 176.172 176.000 0.159 0.000 1.292 207 Q CA 0.714 56.635 55.803 0.196 0.000 0.819 207 Q CB -2.741 26.093 28.738 0.160 0.000 1.202 207 Q HN 0.218 nan 8.270 nan 0.000 0.446 208 T N 0.077 114.738 114.554 0.180 0.000 2.928 208 T HA 0.439 4.789 4.350 0.001 0.000 0.305 208 T C 0.767 175.506 174.700 0.064 0.000 1.035 208 T CA 0.672 62.840 62.100 0.113 0.000 1.145 208 T CB 1.207 70.147 68.868 0.121 0.000 0.963 208 T HN 0.472 nan 8.240 nan 0.000 0.545 209 G N 0.644 109.466 108.800 0.037 0.000 2.690 209 G HA2 0.543 4.503 3.960 0.001 0.000 0.291 209 G HA3 0.543 4.503 3.960 0.001 0.000 0.291 209 G C 0.085 175.002 174.900 0.028 0.000 1.403 209 G CA -0.662 44.451 45.100 0.022 0.000 0.864 209 G HN 0.629 nan 8.290 nan 0.000 0.480 210 T N -2.183 112.390 114.554 0.032 0.000 3.288 210 T HA 0.287 4.637 4.350 0.001 0.000 0.293 210 T C 0.099 174.840 174.700 0.068 0.000 1.008 210 T CA 0.427 62.561 62.100 0.056 0.000 0.929 210 T CB 0.255 69.157 68.868 0.058 0.000 1.152 210 T HN 0.556 nan 8.240 nan 0.000 0.517 211 D N 0.111 120.529 120.400 0.030 0.000 2.538 211 D HA 0.046 4.686 4.640 0.001 0.000 0.241 211 D C 1.076 177.335 176.300 -0.069 0.000 1.297 211 D CA -0.162 53.845 54.000 0.011 0.000 0.804 211 D CB -0.041 40.758 40.800 -0.001 0.000 1.122 211 D HN 0.213 nan 8.370 nan 0.000 0.519 212 Q N -0.293 119.446 119.800 -0.102 0.000 2.291 212 Q HA 0.093 4.433 4.340 0.001 0.000 0.205 212 Q C 0.385 176.023 176.000 -0.605 0.000 0.970 212 Q CA 1.095 56.702 55.803 -0.327 0.000 0.876 212 Q CB -0.257 28.252 28.738 -0.381 0.000 0.935 212 Q HN 0.282 nan 8.270 nan 0.000 0.455 213 F N 0.025 119.820 119.950 -0.258 0.000 2.708 213 F HA 0.211 4.738 4.527 0.001 0.000 0.300 213 F C 1.151 176.781 175.800 -0.284 0.000 1.118 213 F CA -0.419 57.367 58.000 -0.357 0.000 1.307 213 F CB 0.301 38.937 39.000 -0.607 0.000 0.986 213 F HN 0.016 nan 8.300 nan 0.000 0.522 214 K N -0.650 119.707 120.400 -0.072 0.000 2.366 214 K HA -0.007 4.313 4.320 0.001 0.000 0.198 214 K C 0.875 177.515 176.600 0.067 0.000 1.044 214 K CA 1.105 57.441 56.287 0.083 0.000 0.973 214 K CB 0.000 32.526 32.500 0.043 0.000 0.767 214 K HN 0.066 nan 8.250 nan 0.000 0.475 215 E N 1.457 121.579 120.200 -0.131 0.000 2.489 215 E HA 0.015 4.365 4.350 0.001 0.000 0.193 215 E C -0.143 176.439 176.600 -0.029 0.000 1.057 215 E CA 0.144 56.340 56.400 -0.341 0.000 0.866 215 E CB 0.616 30.029 29.700 -0.479 0.000 0.916 215 E HN 0.253 nan 8.360 nan 0.000 0.500 216 S N 0.621 116.397 115.700 0.128 0.000 2.489 216 S HA 0.248 4.718 4.470 0.001 0.000 0.277 216 S C 1.284 175.964 174.600 0.133 0.000 1.230 216 S CA -0.538 57.745 58.200 0.138 0.000 1.053 216 S CB 0.500 63.805 63.200 0.175 0.000 0.955 216 S HN 0.032 nan 8.310 nan 0.000 0.488 217 I N 4.860 125.362 120.570 -0.115 0.000 2.163 217 I HA -0.154 4.017 4.170 0.001 0.000 0.240 217 I C 2.726 178.676 176.117 -0.278 0.000 1.081 217 I CA 1.080 62.051 61.300 -0.549 0.000 1.353 217 I CB -0.231 37.234 38.000 -0.891 0.000 1.054 217 I HN 0.703 nan 8.210 nan 0.000 0.407 218 R N -0.345 120.075 120.500 -0.134 0.000 2.083 218 R HA -0.269 4.072 4.340 0.001 0.000 0.237 218 R C 2.380 178.719 176.300 0.065 0.000 1.137 218 R CA 2.073 58.154 56.100 -0.032 0.000 0.951 218 R CB -0.830 29.459 30.300 -0.018 0.000 0.851 218 R HN 0.443 nan 8.270 nan 0.000 0.434 219 H N 1.008 120.089 119.070 0.020 0.000 2.319 219 H HA -0.083 4.474 4.556 0.001 0.000 0.297 219 H C 1.795 177.183 175.328 0.099 0.000 1.097 219 H CA 1.965 58.046 56.048 0.055 0.000 1.285 219 H CB -0.083 29.745 29.762 0.110 0.000 1.368 219 H HN 0.135 nan 8.280 nan 0.000 0.495 220 N N -0.033 118.761 118.700 0.157 0.000 2.270 220 N HA -0.110 4.631 4.740 0.001 0.000 0.181 220 N C 2.009 177.632 175.510 0.188 0.000 1.016 220 N CA 0.912 54.072 53.050 0.184 0.000 0.870 220 N CB -0.196 38.572 38.487 0.469 0.000 0.979 220 N HN 0.325 nan 8.380 nan 0.000 0.431 221 L N 1.281 122.634 121.223 0.217 0.000 2.012 221 L HA -0.114 4.226 4.340 0.001 0.000 0.210 221 L C 2.078 178.996 176.870 0.081 0.000 1.073 221 L CA 1.458 56.424 54.840 0.210 0.000 0.748 221 L CB -0.673 41.472 42.059 0.144 0.000 0.891 221 L HN -0.132 nan 8.230 nan 0.000 0.431 222 V N -0.755 119.170 119.914 0.018 0.000 2.270 222 V HA -0.241 3.879 4.120 0.001 0.000 0.245 222 V C 2.466 178.499 176.094 -0.103 0.000 1.043 222 V CA 1.577 63.857 62.300 -0.033 0.000 1.014 222 V CB -0.782 31.004 31.823 -0.062 0.000 0.645 222 V HN 0.492 nan 8.190 nan 0.000 0.447 223 L N 1.178 122.310 121.223 -0.153 0.000 1.990 223 L HA -0.222 4.118 4.340 0.001 0.000 0.213 223 L C 2.211 179.011 176.870 -0.117 0.000 1.072 223 L CA 2.206 56.945 54.840 -0.169 0.000 0.755 223 L CB -1.086 40.837 42.059 -0.228 0.000 0.889 223 L HN 0.344 nan 8.230 nan 0.000 0.432 224 N N -0.300 118.374 118.700 -0.042 0.000 2.142 224 N HA -0.200 4.540 4.740 0.001 0.000 0.186 224 N C 1.830 177.313 175.510 -0.044 0.000 1.023 224 N CA 1.336 54.376 53.050 -0.016 0.000 0.852 224 N CB -0.366 38.136 38.487 0.025 0.000 0.998 224 N HN 0.286 nan 8.380 nan 0.000 0.424 225 K N 1.398 121.773 120.400 -0.041 0.000 2.032 225 K HA 0.017 4.337 4.320 0.001 0.000 0.209 225 K C 1.918 178.462 176.600 -0.093 0.000 1.048 225 K CA 0.986 57.248 56.287 -0.043 0.000 0.927 225 K CB -0.498 31.995 32.500 -0.012 0.000 0.712 225 K HN 0.140 nan 8.250 nan 0.000 0.441 226 L N -0.021 121.072 121.223 -0.217 0.000 2.027 226 L HA -0.169 4.171 4.340 0.001 0.000 0.206 226 L C 2.287 178.939 176.870 -0.364 0.000 1.074 226 L CA 1.800 56.370 54.840 -0.450 0.000 0.745 226 L CB -0.837 40.538 42.059 -1.141 0.000 0.898 226 L HN 0.257 nan 8.230 nan 0.000 0.433 227 T N -0.947 113.446 114.554 -0.268 0.000 2.720 227 T HA -0.250 4.101 4.350 0.001 0.000 0.268 227 T C 1.806 176.553 174.700 0.078 0.000 1.037 227 T CA 1.505 63.630 62.100 0.042 0.000 1.144 227 T CB -0.161 68.751 68.868 0.073 0.000 0.864 227 T HN 0.349 nan 8.240 nan 0.000 0.444 228 E N 0.649 120.857 120.200 0.012 0.000 2.051 228 E HA -0.165 4.185 4.350 0.001 0.000 0.192 228 E C 2.258 178.862 176.600 0.007 0.000 0.991 228 E CA 0.946 57.351 56.400 0.008 0.000 0.799 228 E CB 0.033 29.722 29.700 -0.019 0.000 0.748 228 E HN 0.440 nan 8.360 nan 0.000 0.449 229 E N -0.370 119.823 120.200 -0.013 0.000 2.110 229 E HA -0.167 4.184 4.350 0.001 0.000 0.193 229 E C 1.039 177.557 176.600 -0.137 0.000 0.988 229 E CA 0.919 57.262 56.400 -0.095 0.000 0.804 229 E CB -0.091 29.523 29.700 -0.143 0.000 0.745 229 E HN 0.414 nan 8.360 nan 0.000 0.458 230 Y N 0.686 121.019 120.300 0.055 0.000 2.683 230 Y HA 0.176 4.726 4.550 0.001 0.000 0.297 230 Y C 0.371 176.331 175.900 0.102 0.000 1.147 230 Y CA -0.338 57.830 58.100 0.113 0.000 1.274 230 Y CB 0.201 38.807 38.460 0.244 0.000 1.143 230 Y HN -0.303 nan 8.280 nan 0.000 0.527 231 K N 0.964 121.462 120.400 0.163 0.000 2.404 231 K HA -0.026 4.295 4.320 0.001 0.000 0.271 231 K C 1.150 177.818 176.600 0.112 0.000 1.130 231 K CA 1.211 57.571 56.287 0.121 0.000 1.181 231 K CB -0.394 32.142 32.500 0.060 0.000 0.840 231 K HN 0.737 nan 8.250 nan 0.000 0.483 232 G N 3.355 112.226 108.800 0.119 0.000 2.153 232 G HA2 -0.315 3.645 3.960 0.001 0.000 0.252 232 G HA3 -0.315 3.645 3.960 0.001 0.000 0.252 232 G C 0.447 175.407 174.900 0.099 0.000 0.994 232 G CA 0.837 45.992 45.100 0.092 0.000 0.698 232 G HN 0.746 nan 8.290 nan 0.000 0.521 233 Q N -1.496 118.390 119.800 0.144 0.000 2.471 233 Q HA 0.280 4.621 4.340 0.001 0.000 0.259 233 Q C 1.218 177.290 176.000 0.120 0.000 0.850 233 Q CA 0.238 56.127 55.803 0.143 0.000 0.981 233 Q CB 0.839 29.691 28.738 0.190 0.000 1.180 233 Q HN 0.533 nan 8.270 nan 0.000 0.571 234 R N 0.692 121.268 120.500 0.127 0.000 2.725 234 R HA 0.412 4.752 4.340 0.001 0.000 0.277 234 R C -1.524 174.761 176.300 -0.025 0.000 0.987 234 R CA -0.770 55.297 56.100 -0.055 0.000 0.901 234 R CB 1.659 31.691 30.300 -0.448 0.000 1.207 234 R HN -0.039 nan 8.270 nan 0.000 0.463 235 D N 1.816 122.125 120.400 -0.152 0.000 2.168 235 D HA 0.374 5.014 4.640 0.001 0.000 0.246 235 D C -0.627 175.466 176.300 -0.346 0.000 1.050 235 D CA 0.053 54.004 54.000 -0.082 0.000 0.857 235 D CB 1.180 41.960 40.800 -0.034 0.000 1.169 235 D HN 0.141 nan 8.370 nan 0.000 0.453 236 F N 0.743 120.689 119.950 -0.006 0.000 2.522 236 F HA 0.390 4.918 4.527 0.001 0.000 0.324 236 F C 0.750 176.553 175.800 0.006 0.000 1.077 236 F CA -0.665 57.326 58.000 -0.015 0.000 0.944 236 F CB 1.687 40.671 39.000 -0.026 0.000 1.175 236 F HN 0.224 nan 8.300 nan 0.000 0.468 237 Q N -0.170 119.726 119.800 0.160 0.000 2.814 237 Q HA 0.355 4.695 4.340 0.001 0.000 0.322 237 Q C -1.578 174.510 176.000 0.147 0.000 0.861 237 Q CA -1.319 54.561 55.803 0.130 0.000 0.773 237 Q CB 1.846 30.636 28.738 0.086 0.000 1.423 237 Q HN 0.635 nan 8.270 nan 0.000 0.495 238 Q N 0.740 120.651 119.800 0.185 0.000 2.340 238 Q HA 0.324 4.665 4.340 0.001 0.000 0.249 238 Q C -0.796 175.287 176.000 0.137 0.000 0.957 238 Q CA -0.407 55.547 55.803 0.251 0.000 0.882 238 Q CB 0.693 29.597 28.738 0.278 0.000 1.235 238 Q HN 0.599 nan 8.270 nan 0.000 0.439 239 I N 6.006 126.641 120.570 0.108 0.000 2.598 239 I HA 0.048 4.218 4.170 0.001 0.000 0.284 239 I C -1.992 174.157 176.117 0.054 0.000 1.140 239 I CA -1.720 59.617 61.300 0.061 0.000 1.420 239 I CB 0.595 38.606 38.000 0.018 0.000 1.387 239 I HN 0.507 nan 8.210 nan 0.000 0.553 240 P HA 0.192 nan 4.420 nan 0.000 0.267 240 P C -0.986 176.315 177.300 0.002 0.000 1.209 240 P CA 0.222 63.332 63.100 0.017 0.000 0.763 240 P CB 0.402 32.094 31.700 -0.014 0.000 0.816 241 L N 2.239 123.475 121.223 0.021 0.000 2.408 241 L HA 0.610 4.951 4.340 0.001 0.000 0.268 241 L C 0.162 177.034 176.870 0.004 0.000 0.986 241 L CA -1.228 53.619 54.840 0.013 0.000 0.820 241 L CB 2.257 44.393 42.059 0.128 0.000 1.303 241 L HN 0.234 nan 8.230 nan 0.000 0.411 242 A N 3.045 125.830 122.820 -0.059 0.000 2.671 242 A HA 0.743 5.064 4.320 0.001 0.000 0.306 242 A C 0.059 177.686 177.584 0.072 0.000 1.473 242 A CA 0.123 52.175 52.037 0.025 0.000 1.155 242 A CB -0.362 18.612 19.000 -0.044 0.000 1.123 242 A HN 0.789 nan 8.150 nan 0.000 0.545 243 A N 1.958 124.791 122.820 0.021 0.000 2.594 243 A HA 0.725 5.046 4.320 0.001 0.000 0.296 243 A C -0.498 176.991 177.584 -0.158 0.000 1.056 243 A CA -0.439 51.523 52.037 -0.126 0.000 0.693 243 A CB 0.891 19.701 19.000 -0.318 0.000 1.278 243 A HN 0.608 nan 8.150 nan 0.000 0.408 244 T N 1.660 116.087 114.554 -0.213 0.000 2.847 244 T HA 0.449 4.799 4.350 0.001 0.000 0.291 244 T C -0.047 174.500 174.700 -0.255 0.000 0.998 244 T CA -0.408 61.586 62.100 -0.177 0.000 0.967 244 T CB 1.099 69.922 68.868 -0.075 0.000 0.954 244 T HN 0.718 nan 8.240 nan 0.000 0.441 245 R N 2.238 122.568 120.500 -0.282 0.000 2.491 245 R HA 0.249 4.589 4.340 0.001 0.000 0.283 245 R C 0.732 176.942 176.300 -0.149 0.000 1.072 245 R CA -0.332 55.598 56.100 -0.284 0.000 1.048 245 R CB 0.402 30.494 30.300 -0.348 0.000 0.983 245 R HN 0.380 nan 8.270 nan 0.000 0.450 246 R N 0.928 121.385 120.500 -0.072 0.000 2.221 246 R HA 0.151 4.492 4.340 0.001 0.000 0.195 246 R C 0.280 176.559 176.300 -0.036 0.000 0.956 246 R CA 0.763 56.853 56.100 -0.017 0.000 1.064 246 R CB 0.185 30.537 30.300 0.085 0.000 1.049 246 R HN 0.775 nan 8.270 nan 0.000 0.534 247 S N -1.568 114.114 115.700 -0.030 0.000 2.661 247 S HA 0.401 4.872 4.470 0.001 0.000 0.268 247 S C -2.611 171.946 174.600 -0.071 0.000 1.162 247 S CA -1.009 57.165 58.200 -0.042 0.000 0.817 247 S CB 2.011 65.209 63.200 -0.004 0.000 1.141 247 S HN -0.242 nan 8.310 nan 0.000 0.477 248 P HA 0.097 nan 4.420 nan 0.000 0.226 248 P C 0.790 178.059 177.300 -0.051 0.000 1.153 248 P CA 1.321 64.372 63.100 -0.083 0.000 0.777 248 P CB -0.113 31.552 31.700 -0.058 0.000 0.794 249 T N -6.257 108.299 114.554 0.003 0.000 3.170 249 T HA 0.325 4.675 4.350 0.001 0.000 0.288 249 T C -0.291 174.465 174.700 0.094 0.000 0.992 249 T CA -0.312 61.810 62.100 0.038 0.000 0.909 249 T CB -0.522 68.385 68.868 0.065 0.000 1.133 249 T HN -0.135 nan 8.240 nan 0.000 0.530 250 F N 1.418 121.303 119.950 -0.108 0.000 2.588 250 F HA 0.644 5.171 4.527 0.001 0.000 0.318 250 F C -1.718 173.949 175.800 -0.221 0.000 1.155 250 F CA -1.108 56.822 58.000 -0.117 0.000 0.967 250 F CB 1.931 40.882 39.000 -0.081 0.000 1.236 250 F HN -0.110 nan 8.300 nan 0.000 0.455 251 V N 5.144 124.591 119.914 -0.778 0.000 2.487 251 V HA 0.290 4.411 4.120 0.001 0.000 0.298 251 V C -0.453 175.125 176.094 -0.861 0.000 1.028 251 V CA -0.843 60.977 62.300 -0.800 0.000 0.860 251 V CB 1.713 32.810 31.823 -1.209 0.000 0.991 251 V HN 0.724 nan 8.190 nan 0.000 0.427 252 E N 4.648 124.611 120.200 -0.396 0.000 1.941 252 E HA 0.144 4.495 4.350 0.001 0.000 0.275 252 E C -1.070 175.393 176.600 -0.228 0.000 1.113 252 E CA -0.551 55.764 56.400 -0.140 0.000 0.878 252 E CB 0.403 30.150 29.700 0.079 0.000 1.070 252 E HN 0.630 nan 8.360 nan 0.000 0.399 253 W N 3.193 124.408 121.300 -0.143 0.000 2.253 253 W HA 0.115 4.776 4.660 0.000 0.000 0.322 253 W C 0.594 177.151 176.519 0.064 0.000 1.342 253 W CA -0.540 56.697 57.345 -0.180 0.000 1.218 253 W CB 0.896 30.016 29.460 -0.567 0.000 1.205 253 W HN 0.323 nan 8.180 nan 0.000 0.551 254 S N 1.994 117.918 115.700 0.372 0.000 2.603 254 S HA 0.566 5.036 4.470 0.001 0.000 0.268 254 S C 0.270 175.314 174.600 0.740 0.000 1.317 254 S CA -0.499 57.987 58.200 0.476 0.000 1.012 254 S CB 1.106 64.602 63.200 0.493 0.000 0.926 254 S HN 0.535 nan 8.310 nan 0.000 0.539 255 S N -0.055 116.028 115.700 0.639 0.000 2.755 255 S HA 0.680 5.150 4.470 0.001 0.000 0.286 255 S C 0.858 175.671 174.600 0.354 0.000 1.207 255 S CA -0.294 58.238 58.200 0.554 0.000 0.892 255 S CB 0.427 63.862 63.200 0.392 0.000 1.240 255 S HN 0.703 nan 8.310 nan 0.000 0.525 256 A N 1.553 124.468 122.820 0.158 0.000 1.948 256 A HA -0.176 4.144 4.320 0.001 0.000 0.220 256 A C 1.998 179.630 177.584 0.080 0.000 1.177 256 A CA 2.139 54.221 52.037 0.075 0.000 0.636 256 A CB -1.594 17.418 19.000 0.021 0.000 0.815 256 A HN 0.848 nan 8.150 nan 0.000 0.449 257 N N -0.653 118.104 118.700 0.095 0.000 2.205 257 N HA -0.151 4.590 4.740 0.001 0.000 0.186 257 N C 1.472 177.009 175.510 0.045 0.000 1.015 257 N CA 1.950 55.030 53.050 0.049 0.000 0.862 257 N CB -0.170 38.362 38.487 0.074 0.000 0.986 257 N HN 0.461 nan 8.380 nan 0.000 0.429 258 T N 0.340 114.969 114.554 0.124 0.000 2.821 258 T HA -0.038 4.313 4.350 0.001 0.000 0.267 258 T C 2.052 176.785 174.700 0.056 0.000 1.046 258 T CA 0.883 63.060 62.100 0.128 0.000 1.139 258 T CB -0.088 68.936 68.868 0.259 0.000 0.871 258 T HN 0.051 nan 8.240 nan 0.000 0.454 259 V N -0.356 119.573 119.914 0.026 0.000 2.323 259 V HA 0.170 4.290 4.120 0.001 0.000 0.244 259 V C 0.476 176.549 176.094 -0.035 0.000 1.041 259 V CA 0.973 63.223 62.300 -0.083 0.000 1.025 259 V CB -0.302 31.425 31.823 -0.160 0.000 0.656 259 V HN 0.491 nan 8.190 nan 0.000 0.451 260 F N 0.840 120.672 119.950 -0.196 0.000 2.604 260 F HA 0.393 4.920 4.527 0.001 0.000 0.316 260 F C 0.112 175.797 175.800 -0.191 0.000 1.136 260 F CA -1.574 56.282 58.000 -0.240 0.000 0.989 260 F CB 1.446 40.256 39.000 -0.317 0.000 1.258 260 F HN 0.162 nan 8.300 nan 0.000 0.451 261 D N 4.642 124.522 120.400 -0.867 0.000 2.363 261 D HA -0.008 4.632 4.640 0.001 0.000 0.220 261 D C 1.163 177.198 176.300 -0.441 0.000 0.994 261 D CA 0.999 54.707 54.000 -0.487 0.000 0.890 261 D CB -0.060 40.519 40.800 -0.370 0.000 0.906 261 D HN 0.674 nan 8.370 nan 0.000 0.530 262 L N -1.790 119.001 121.223 -0.720 0.000 4.625 262 L HA -0.248 4.092 4.340 0.001 0.000 0.428 262 L C -0.218 176.639 176.870 -0.023 0.000 1.129 262 L CA 0.507 55.210 54.840 -0.228 0.000 0.978 262 L CB -1.423 40.653 42.059 0.028 0.000 2.043 262 L HN 0.230 nan 8.230 nan 0.000 0.847 263 Q N 0.922 120.609 119.800 -0.187 0.000 2.332 263 Q HA 0.215 4.556 4.340 0.001 0.000 0.263 263 Q C 0.411 176.482 176.000 0.118 0.000 0.979 263 Q CA -0.035 55.740 55.803 -0.047 0.000 0.885 263 Q CB 0.590 29.264 28.738 -0.106 0.000 1.218 263 Q HN 0.135 nan 8.270 nan 0.000 0.405 264 N N 1.955 120.712 118.700 0.095 0.000 2.441 264 N HA 0.114 4.854 4.740 0.001 0.000 0.251 264 N C -0.274 175.301 175.510 0.108 0.000 1.242 264 N CA 0.344 53.449 53.050 0.092 0.000 0.898 264 N CB 0.612 39.058 38.487 -0.069 0.000 1.100 264 N HN 0.280 nan 8.380 nan 0.000 0.443 265 R N 1.052 121.641 120.500 0.150 0.000 2.795 265 R HA 0.494 4.834 4.340 0.001 0.000 0.275 265 R C -2.496 173.871 176.300 0.111 0.000 0.981 265 R CA -1.649 54.529 56.100 0.129 0.000 0.917 265 R CB 1.583 31.982 30.300 0.165 0.000 1.202 265 R HN 0.359 nan 8.270 nan 0.000 0.469 266 P HA 0.053 nan 4.420 nan 0.000 0.267 266 P C -1.202 176.157 177.300 0.099 0.000 1.200 266 P CA -0.080 63.121 63.100 0.168 0.000 0.772 266 P CB 0.510 32.366 31.700 0.259 0.000 0.855 267 N N -1.093 117.651 118.700 0.074 0.000 3.243 267 N HA 0.244 4.984 4.740 0.001 0.000 0.280 267 N C 0.422 175.948 175.510 0.027 0.000 1.545 267 N CA -0.717 52.356 53.050 0.039 0.000 0.854 267 N CB -0.556 37.942 38.487 0.018 0.000 1.612 267 N HN 0.058 nan 8.380 nan 0.000 0.577 268 T N -0.880 113.680 114.554 0.010 0.000 2.746 268 T HA -0.059 4.291 4.350 0.001 0.000 0.267 268 T C 0.273 174.973 174.700 0.001 0.000 1.039 268 T CA 1.488 63.590 62.100 0.004 0.000 1.142 268 T CB -0.412 68.454 68.868 -0.003 0.000 0.866 268 T HN 0.510 nan 8.240 nan 0.000 0.444 269 D N 0.991 121.387 120.400 -0.006 0.000 2.349 269 D HA 0.265 4.905 4.640 0.001 0.000 0.224 269 D C 0.533 176.830 176.300 -0.004 0.000 1.029 269 D CA 0.171 54.164 54.000 -0.011 0.000 0.879 269 D CB 0.234 41.018 40.800 -0.026 0.000 0.906 269 D HN 0.357 nan 8.370 nan 0.000 0.528 270 A N 1.197 124.024 122.820 0.013 0.000 3.370 270 A HA 0.335 4.656 4.320 0.001 0.000 0.295 270 A C -2.110 175.520 177.584 0.075 0.000 1.030 270 A CA -0.807 51.252 52.037 0.037 0.000 0.883 270 A CB 0.939 19.958 19.000 0.033 0.000 1.191 270 A HN -0.163 nan 8.150 nan 0.000 0.507 271 P HA 0.044 nan 4.420 nan 0.000 0.236 271 P C 0.366 177.763 177.300 0.162 0.000 1.177 271 P CA 0.969 64.119 63.100 0.083 0.000 0.773 271 P CB 0.562 32.280 31.700 0.029 0.000 0.878 272 E N -0.125 120.198 120.200 0.205 0.000 2.558 272 E HA 0.188 4.538 4.350 0.001 0.000 0.205 272 E C 0.143 176.992 176.600 0.415 0.000 1.006 272 E CA 0.034 56.670 56.400 0.394 0.000 0.961 272 E CB 0.592 30.418 29.700 0.210 0.000 1.044 272 E HN 0.467 nan 8.360 nan 0.000 0.465 273 E N 0.569 120.916 120.200 0.245 0.000 2.232 273 E HA 0.526 4.876 4.350 0.001 0.000 0.264 273 E C -0.235 176.373 176.600 0.014 0.000 0.973 273 E CA -0.694 55.756 56.400 0.084 0.000 0.849 273 E CB 1.774 31.530 29.700 0.093 0.000 1.198 273 E HN -0.186 nan 8.360 nan 0.000 0.407 274 R N 1.759 122.230 120.500 -0.049 0.000 2.521 274 R HA 0.359 4.699 4.340 0.001 0.000 0.295 274 R C -1.679 174.693 176.300 0.120 0.000 1.183 274 R CA -0.464 55.594 56.100 -0.069 0.000 0.957 274 R CB 0.845 30.963 30.300 -0.304 0.000 1.171 274 R HN 0.382 nan 8.270 nan 0.000 0.494 275 F N 2.194 122.128 119.950 -0.026 0.000 2.588 275 F HA 0.472 5.000 4.527 0.001 0.000 0.314 275 F C -1.569 174.176 175.800 -0.093 0.000 1.134 275 F CA -0.700 57.281 58.000 -0.031 0.000 0.961 275 F CB 1.974 41.020 39.000 0.077 0.000 1.239 275 F HN 0.331 nan 8.300 nan 0.000 0.448 276 N N 4.646 122.751 118.700 -0.992 0.000 2.258 276 N HA 0.596 5.336 4.740 0.001 0.000 0.299 276 N C -2.003 172.486 175.510 -1.701 0.000 1.047 276 N CA -0.684 51.670 53.050 -1.158 0.000 0.814 276 N CB 2.337 40.353 38.487 -0.784 0.000 1.413 276 N HN 0.596 nan 8.380 nan 0.000 0.478 277 L N 2.558 122.943 121.223 -1.396 0.000 2.282 277 L HA 0.622 4.963 4.340 0.001 0.000 0.288 277 L C -1.644 174.581 176.870 -1.076 0.000 1.033 277 L CA -0.270 53.983 54.840 -0.979 0.000 0.807 277 L CB 0.157 41.999 42.059 -0.362 0.000 1.209 277 L HN 0.457 nan 8.230 nan 0.000 0.423 278 F N 6.463 126.132 119.950 -0.469 0.000 2.307 278 F HA 0.520 5.048 4.527 0.000 0.000 0.369 278 F C -2.083 173.645 175.800 -0.120 0.000 1.076 278 F CA -2.262 55.563 58.000 -0.291 0.000 1.149 278 F CB 0.510 39.299 39.000 -0.350 0.000 1.410 278 F HN 0.410 nan 8.300 nan 0.000 0.481 279 P HA 0.283 nan 4.420 nan 0.000 0.274 279 P C 0.127 177.471 177.300 0.073 0.000 1.237 279 P CA -0.111 63.016 63.100 0.046 0.000 0.793 279 P CB 1.186 32.895 31.700 0.015 0.000 0.977 280 A N -0.199 122.655 122.820 0.056 0.000 2.930 280 A HA -0.091 4.229 4.320 0.001 0.000 0.273 280 A C -0.053 177.560 177.584 0.049 0.000 1.435 280 A CA 0.681 52.747 52.037 0.049 0.000 0.780 280 A CB -2.441 16.586 19.000 0.045 0.000 1.034 280 A HN 0.285 nan 8.150 nan 0.000 0.562 281 V N -0.189 119.771 119.914 0.076 0.000 2.376 281 V HA 0.676 4.796 4.120 0.001 0.000 0.287 281 V C 0.616 176.730 176.094 0.032 0.000 1.015 281 V CA -0.301 62.048 62.300 0.082 0.000 0.834 281 V CB 1.451 33.400 31.823 0.210 0.000 1.001 281 V HN 1.489 nan 8.190 nan 0.000 0.428 282 A N 4.292 127.115 122.820 0.006 0.000 2.347 282 A HA 0.475 4.795 4.320 0.001 0.000 0.287 282 A C 0.114 177.689 177.584 -0.014 0.000 1.199 282 A CA -0.174 51.844 52.037 -0.032 0.000 0.851 282 A CB -0.087 18.942 19.000 0.047 0.000 1.118 282 A HN 0.870 nan 8.150 nan 0.000 0.525 283 C N 2.831 122.088 119.300 -0.071 0.000 2.347 283 C HA 0.388 4.848 4.460 0.001 0.000 0.353 283 C C 1.311 176.261 174.990 -0.067 0.000 1.273 283 C CA -0.310 58.653 59.018 -0.092 0.000 1.861 283 C CB -0.217 27.447 27.740 -0.126 0.000 2.420 283 C HN 1.016 nan 8.230 nan 0.000 0.542 284 E N 0.807 120.985 120.200 -0.036 0.000 2.330 284 E HA 0.142 4.493 4.350 0.001 0.000 0.200 284 E C 0.300 176.870 176.600 -0.050 0.000 0.922 284 E CA 0.365 56.747 56.400 -0.030 0.000 0.935 284 E CB 0.531 30.232 29.700 0.002 0.000 0.917 284 E HN 0.597 nan 8.360 nan 0.000 0.491 285 R N 0.765 121.232 120.500 -0.055 0.000 2.594 285 R HA 0.294 4.635 4.340 0.001 0.000 0.265 285 R C -1.203 175.002 176.300 -0.158 0.000 1.070 285 R CA -0.529 55.509 56.100 -0.103 0.000 0.909 285 R CB 2.486 32.715 30.300 -0.119 0.000 1.243 285 R HN -0.072 nan 8.270 nan 0.000 0.455 286 V N -0.339 119.467 119.914 -0.179 0.000 2.612 286 V HA 0.599 4.719 4.120 0.001 0.000 0.301 286 V C 0.024 175.966 176.094 -0.253 0.000 1.046 286 V CA -0.802 61.346 62.300 -0.254 0.000 0.946 286 V CB 1.805 33.457 31.823 -0.286 0.000 1.003 286 V HN 0.388 nan 8.190 nan 0.000 0.459 287 V N 5.033 124.759 119.914 -0.314 0.000 2.364 287 V HA 0.425 4.545 4.120 0.001 0.000 0.272 287 V C 0.657 176.677 176.094 -0.124 0.000 1.036 287 V CA -0.454 61.694 62.300 -0.253 0.000 0.880 287 V CB 0.676 32.326 31.823 -0.288 0.000 0.991 287 V HN 0.935 nan 8.190 nan 0.000 0.460 288 R N 3.806 124.276 120.500 -0.049 0.000 2.539 288 R HA 0.245 4.585 4.340 0.001 0.000 0.275 288 R C 0.418 176.738 176.300 0.033 0.000 1.077 288 R CA -0.499 55.654 56.100 0.088 0.000 1.097 288 R CB 0.466 30.825 30.300 0.098 0.000 1.018 288 R HN 0.854 nan 8.270 nan 0.000 0.483 289 N N 1.408 120.137 118.700 0.049 0.000 2.381 289 N HA 0.020 4.760 4.740 0.001 0.000 0.254 289 N C 0.504 175.995 175.510 -0.032 0.000 1.264 289 N CA 0.085 53.133 53.050 -0.003 0.000 0.942 289 N CB 0.511 38.993 38.487 -0.007 0.000 1.190 289 N HN 0.565 nan 8.380 nan 0.000 0.495 290 A N 0.355 123.154 122.820 -0.035 0.000 1.972 290 A HA -0.031 4.289 4.320 0.001 0.000 0.219 290 A C 2.152 179.698 177.584 -0.063 0.000 1.169 290 A CA 0.829 52.841 52.037 -0.043 0.000 0.635 290 A CB -0.787 18.194 19.000 -0.032 0.000 0.810 290 A HN 0.665 nan 8.150 nan 0.000 0.446 291 L N -0.924 120.251 121.223 -0.079 0.000 2.465 291 L HA -0.080 4.260 4.340 0.001 0.000 0.224 291 L C 0.104 176.862 176.870 -0.186 0.000 1.145 291 L CA 0.211 54.984 54.840 -0.110 0.000 0.834 291 L CB -0.571 41.425 42.059 -0.106 0.000 0.944 291 L HN 0.427 nan 8.230 nan 0.000 0.451 292 N N 0.213 118.778 118.700 -0.227 0.000 2.727 292 N HA -0.183 4.557 4.740 0.001 0.000 0.249 292 N C 0.970 175.855 175.510 -1.040 0.000 1.048 292 N CA 1.072 53.846 53.050 -0.459 0.000 0.714 292 N CB -1.139 37.226 38.487 -0.203 0.000 0.959 292 N HN 0.541 nan 8.380 nan 0.000 0.544 293 S N -1.849 113.403 115.700 -0.746 0.000 2.632 293 S HA 0.259 4.730 4.470 0.001 0.000 0.237 293 S C 0.276 174.660 174.600 -0.358 0.000 1.037 293 S CA 0.051 57.897 58.200 -0.589 0.000 1.009 293 S CB 1.454 64.502 63.200 -0.254 0.000 0.974 293 S HN 0.426 nan 8.310 nan 0.000 0.544 294 E N 0.216 120.300 120.200 -0.193 0.000 2.380 294 E HA 0.404 4.754 4.350 0.001 0.000 0.281 294 E C -1.671 175.093 176.600 0.274 0.000 0.999 294 E CA -0.866 55.620 56.400 0.143 0.000 0.800 294 E CB 1.152 30.910 29.700 0.098 0.000 1.228 294 E HN 0.125 nan 8.360 nan 0.000 0.436 295 I N 3.249 123.975 120.570 0.260 0.000 2.396 295 I HA 0.178 4.348 4.170 0.001 0.000 0.292 295 I C 0.681 176.782 176.117 -0.027 0.000 0.999 295 I CA -0.020 61.278 61.300 -0.002 0.000 1.310 295 I CB 1.350 39.147 38.000 -0.339 0.000 1.404 295 I HN 0.709 nan 8.210 nan 0.000 0.496 296 E N 2.682 122.832 120.200 -0.083 0.000 2.399 296 E HA 0.098 4.449 4.350 0.001 0.000 0.205 296 E C 0.149 176.788 176.600 0.066 0.000 0.906 296 E CA 0.358 56.783 56.400 0.042 0.000 0.998 296 E CB 0.640 30.358 29.700 0.030 0.000 1.002 296 E HN 0.718 nan 8.360 nan 0.000 0.501 297 S N -0.453 115.186 115.700 -0.103 0.000 2.587 297 S HA 0.566 5.037 4.470 0.001 0.000 0.269 297 S C -1.502 173.020 174.600 -0.130 0.000 1.154 297 S CA -1.045 57.172 58.200 0.029 0.000 0.824 297 S CB 1.424 64.710 63.200 0.144 0.000 1.118 297 S HN 0.005 nan 8.310 nan 0.000 0.462 298 L N 1.708 122.991 121.223 0.101 0.000 2.333 298 L HA 0.583 4.923 4.340 0.001 0.000 0.280 298 L C -0.962 175.987 176.870 0.132 0.000 1.004 298 L CA -0.150 54.705 54.840 0.025 0.000 0.820 298 L CB 1.169 43.267 42.059 0.066 0.000 1.247 298 L HN 0.933 nan 8.230 nan 0.000 0.416 299 H N 6.205 125.217 119.070 -0.096 0.000 2.517 299 H HA 0.556 5.113 4.556 0.001 0.000 0.317 299 H C -0.367 174.911 175.328 -0.082 0.000 1.080 299 H CA -0.585 55.423 56.048 -0.067 0.000 1.301 299 H CB 1.412 31.142 29.762 -0.054 0.000 1.425 299 H HN 0.704 nan 8.280 nan 0.000 0.471 300 I N -0.018 120.559 120.570 0.012 0.000 3.002 300 I HA 0.407 4.577 4.170 0.001 0.000 0.310 300 I C -1.001 175.210 176.117 0.157 0.000 1.087 300 I CA -0.953 60.349 61.300 0.004 0.000 1.017 300 I CB 3.141 41.046 38.000 -0.159 0.000 1.226 300 I HN 0.584 nan 8.210 nan 0.000 0.443 301 H N 2.839 121.931 119.070 0.036 0.000 2.800 301 H HA 0.212 4.768 4.556 0.001 0.000 0.322 301 H C -1.430 173.962 175.328 0.107 0.000 0.979 301 H CA -0.638 55.460 56.048 0.083 0.000 1.277 301 H CB 1.450 31.248 29.762 0.061 0.000 1.484 301 H HN 0.768 nan 8.280 nan 0.000 0.512 302 D N 5.786 126.234 120.400 0.080 0.000 2.339 302 D HA -0.002 4.638 4.640 0.001 0.000 0.256 302 D C 0.995 177.163 176.300 -0.220 0.000 1.214 302 D CA -0.173 53.822 54.000 -0.010 0.000 0.877 302 D CB 1.068 41.938 40.800 0.115 0.000 1.111 302 D HN 0.680 nan 8.370 nan 0.000 0.478 303 L N 4.295 125.399 121.223 -0.199 0.000 2.313 303 L HA -0.034 4.306 4.340 0.001 0.000 0.214 303 L C 2.282 179.092 176.870 -0.100 0.000 1.119 303 L CA 0.275 54.977 54.840 -0.230 0.000 0.809 303 L CB 0.049 42.077 42.059 -0.052 0.000 0.933 303 L HN 0.563 nan 8.230 nan 0.000 0.449 304 I N -0.661 119.885 120.570 -0.040 0.000 2.339 304 I HA -0.190 3.980 4.170 0.001 0.000 0.245 304 I C 2.625 178.747 176.117 0.009 0.000 1.096 304 I CA 1.460 62.759 61.300 -0.002 0.000 1.408 304 I CB -0.048 37.962 38.000 0.017 0.000 1.092 304 I HN 0.307 nan 8.210 nan 0.000 0.423 305 S N 0.001 115.716 115.700 0.025 0.000 2.470 305 S HA 0.087 4.557 4.470 0.001 0.000 0.225 305 S C 1.734 176.366 174.600 0.054 0.000 1.006 305 S CA 0.699 58.931 58.200 0.054 0.000 0.934 305 S CB 0.450 63.712 63.200 0.104 0.000 0.778 305 S HN 0.599 nan 8.310 nan 0.000 0.517 306 G N 0.854 109.666 108.800 0.020 0.000 2.176 306 G HA2 -0.198 3.762 3.960 0.001 0.000 0.253 306 G HA3 -0.198 3.762 3.960 0.001 0.000 0.253 306 G C -0.316 174.698 174.900 0.191 0.000 0.979 306 G CA 0.225 45.376 45.100 0.085 0.000 0.641 306 G HN 0.562 nan 8.290 nan 0.000 0.530 307 D N 0.462 120.953 120.400 0.153 0.000 2.313 307 D HA 0.481 5.122 4.640 0.001 0.000 0.247 307 D C 0.843 177.224 176.300 0.136 0.000 1.094 307 D CA -0.042 53.996 54.000 0.064 0.000 0.925 307 D CB 0.696 41.486 40.800 -0.015 0.000 1.188 307 D HN 0.323 nan 8.370 nan 0.000 0.430 308 R N 1.299 121.717 120.500 -0.137 0.000 2.532 308 R HA 0.595 4.935 4.340 0.001 0.000 0.295 308 R C -0.541 175.469 176.300 -0.483 0.000 0.968 308 R CA -0.545 55.500 56.100 -0.092 0.000 0.916 308 R CB 1.205 31.442 30.300 -0.104 0.000 1.124 308 R HN 0.322 nan 8.270 nan 0.000 0.463 309 F N -0.056 119.838 119.950 -0.093 0.000 2.706 309 F HA 0.404 4.931 4.527 0.000 0.000 0.328 309 F C -0.184 175.492 175.800 -0.206 0.000 1.123 309 F CA -1.120 56.803 58.000 -0.129 0.000 0.978 309 F CB 1.775 40.722 39.000 -0.089 0.000 1.404 309 F HN 0.291 nan 8.300 nan 0.000 0.497 310 E N 0.961 121.193 120.200 0.053 0.000 2.277 310 E HA 0.633 4.983 4.350 0.001 0.000 0.266 310 E C -1.372 175.290 176.600 0.103 0.000 0.901 310 E CA -0.564 55.840 56.400 0.006 0.000 0.782 310 E CB 2.342 31.999 29.700 -0.072 0.000 1.228 310 E HN 0.231 nan 8.360 nan 0.000 0.424 311 I N 1.923 122.568 120.570 0.125 0.000 2.478 311 I HA 0.316 4.486 4.170 0.001 0.000 0.287 311 I C -0.586 175.677 176.117 0.244 0.000 1.042 311 I CA -0.961 60.432 61.300 0.154 0.000 1.067 311 I CB 1.514 39.554 38.000 0.067 0.000 1.233 311 I HN 0.384 nan 8.210 nan 0.000 0.431 312 K N 4.888 125.424 120.400 0.227 0.000 2.172 312 K HA 0.817 5.137 4.320 0.001 0.000 0.276 312 K C -0.814 175.890 176.600 0.174 0.000 1.013 312 K CA -0.194 56.237 56.287 0.239 0.000 0.913 312 K CB 1.483 34.077 32.500 0.156 0.000 1.055 312 K HN 0.797 nan 8.250 nan 0.000 0.461 313 A N 2.941 125.785 122.820 0.040 0.000 2.566 313 A HA 0.392 4.712 4.320 0.001 0.000 0.292 313 A C -0.352 177.093 177.584 -0.232 0.000 1.112 313 A CA -0.684 51.227 52.037 -0.210 0.000 0.707 313 A CB 1.001 19.694 19.000 -0.512 0.000 1.302 313 A HN 0.767 nan 8.150 nan 0.000 0.409 314 D N -0.412 119.897 120.400 -0.152 0.000 2.149 314 D HA 0.050 4.690 4.640 0.001 0.000 0.201 314 D C 0.321 176.477 176.300 -0.239 0.000 0.972 314 D CA 1.750 55.705 54.000 -0.074 0.000 0.835 314 D CB 0.112 40.917 40.800 0.008 0.000 0.966 314 D HN 0.208 nan 8.370 nan 0.000 0.476 315 V N 0.946 120.583 119.914 -0.462 0.000 2.531 315 V HA 0.244 4.364 4.120 0.001 0.000 0.301 315 V C -1.220 174.586 176.094 -0.479 0.000 1.034 315 V CA -0.847 61.185 62.300 -0.446 0.000 0.865 315 V CB 1.541 33.000 31.823 -0.608 0.000 0.995 315 V HN -0.050 nan 8.190 nan 0.000 0.424 316 Y N 3.271 123.551 120.300 -0.033 0.000 2.328 316 Y HA 0.671 5.221 4.550 0.001 0.000 0.337 316 Y C -0.019 175.839 175.900 -0.071 0.000 0.966 316 Y CA -0.968 57.098 58.100 -0.056 0.000 1.136 316 Y CB 1.965 40.391 38.460 -0.058 0.000 1.170 316 Y HN 0.361 nan 8.280 nan 0.000 0.470 317 V N 5.555 125.430 119.914 -0.065 0.000 2.409 317 V HA 0.386 4.506 4.120 0.001 0.000 0.291 317 V C -0.372 175.594 176.094 -0.214 0.000 1.020 317 V CA -0.931 61.221 62.300 -0.247 0.000 0.848 317 V CB 1.471 32.925 31.823 -0.615 0.000 0.990 317 V HN 0.597 nan 8.190 nan 0.000 0.430 318 L N 5.167 126.261 121.223 -0.216 0.000 2.265 318 L HA 0.587 4.927 4.340 0.001 0.000 0.289 318 L C 0.347 177.119 176.870 -0.162 0.000 1.033 318 L CA -0.184 54.550 54.840 -0.177 0.000 0.814 318 L CB 1.540 43.474 42.059 -0.208 0.000 1.203 318 L HN 0.812 nan 8.230 nan 0.000 0.423 319 T N -1.420 113.077 114.554 -0.096 0.000 3.630 319 T HA 0.415 4.765 4.350 0.001 0.000 0.238 319 T C 0.517 175.227 174.700 0.017 0.000 1.195 319 T CA -0.162 61.922 62.100 -0.026 0.000 1.433 319 T CB 1.041 69.902 68.868 -0.012 0.000 0.940 319 T HN 0.550 nan 8.240 nan 0.000 0.641 320 A N 0.745 123.585 122.820 0.034 0.000 2.387 320 A HA 0.810 5.130 4.320 0.001 0.000 0.234 320 A C 1.332 178.991 177.584 0.125 0.000 1.253 320 A CA 0.037 52.115 52.037 0.067 0.000 0.894 320 A CB -0.598 18.439 19.000 0.062 0.000 0.963 320 A HN 1.776 nan 8.150 nan 0.000 0.508 321 G N -2.426 106.445 108.800 0.118 0.000 2.662 321 G HA2 0.284 4.244 3.960 0.001 0.000 0.686 321 G HA3 0.284 4.244 3.960 0.001 0.000 0.686 321 G C 0.737 175.726 174.900 0.148 0.000 1.271 321 G CA -0.298 44.876 45.100 0.123 0.000 0.816 321 G HN 1.264 nan 8.290 nan 0.000 0.608 322 A N -0.415 122.472 122.820 0.112 0.000 1.933 322 A HA 0.205 4.525 4.320 0.001 0.000 0.218 322 A C 2.643 180.289 177.584 0.103 0.000 1.175 322 A CA 3.232 55.322 52.037 0.089 0.000 0.628 322 A CB -0.373 18.660 19.000 0.055 0.000 0.814 322 A HN 1.598 nan 8.150 nan 0.000 0.444 323 V N -0.980 118.958 119.914 0.040 0.000 2.346 323 V HA -0.194 3.926 4.120 0.001 0.000 0.244 323 V C 2.169 178.283 176.094 0.034 0.000 1.037 323 V CA 2.124 64.423 62.300 -0.002 0.000 1.029 323 V CB -1.020 30.684 31.823 -0.197 0.000 0.663 323 V HN 0.741 nan 8.190 nan 0.000 0.454 324 H N -0.443 118.699 119.070 0.121 0.000 2.535 324 H HA 0.026 4.582 4.556 0.001 0.000 0.273 324 H C 2.199 177.524 175.328 -0.005 0.000 0.983 324 H CA 0.601 56.679 56.048 0.050 0.000 1.238 324 H CB 0.150 29.924 29.762 0.021 0.000 1.412 324 H HN 0.312 nan 8.280 nan 0.000 0.562 325 N N -0.086 118.697 118.700 0.138 0.000 2.104 325 N HA -0.116 4.625 4.740 0.001 0.000 0.190 325 N C 1.675 177.181 175.510 -0.007 0.000 1.024 325 N CA 1.745 54.819 53.050 0.039 0.000 0.853 325 N CB -0.320 38.218 38.487 0.085 0.000 1.008 325 N HN 0.317 nan 8.380 nan 0.000 0.424 326 T N 0.351 114.955 114.554 0.084 0.000 2.896 326 T HA -0.084 4.267 4.350 0.001 0.000 0.263 326 T C 1.817 176.321 174.700 -0.328 0.000 1.050 326 T CA 0.714 62.841 62.100 0.046 0.000 1.140 326 T CB -0.058 68.984 68.868 0.289 0.000 0.877 326 T HN 0.299 nan 8.240 nan 0.000 0.457 327 Q N 0.323 119.836 119.800 -0.478 0.000 2.050 327 Q HA -0.112 4.229 4.340 0.001 0.000 0.202 327 Q C 2.318 178.057 176.000 -0.435 0.000 0.980 327 Q CA 1.173 56.436 55.803 -0.899 0.000 0.840 327 Q CB -0.272 28.278 28.738 -0.314 0.000 0.898 327 Q HN 0.335 nan 8.270 nan 0.000 0.424 328 L N 0.751 121.841 121.223 -0.221 0.000 2.043 328 L HA -0.209 4.131 4.340 0.001 0.000 0.212 328 L C 2.071 178.836 176.870 -0.175 0.000 1.075 328 L CA 1.656 56.396 54.840 -0.167 0.000 0.752 328 L CB -0.530 41.451 42.059 -0.131 0.000 0.891 328 L HN 0.296 nan 8.230 nan 0.000 0.432 329 L N -2.243 118.857 121.223 -0.205 0.000 2.027 329 L HA -0.174 4.167 4.340 0.001 0.000 0.206 329 L C 2.409 179.272 176.870 -0.012 0.000 1.074 329 L CA 0.889 55.624 54.840 -0.174 0.000 0.745 329 L CB -0.578 41.300 42.059 -0.302 0.000 0.898 329 L HN 0.037 nan 8.230 nan 0.000 0.433 330 V N 0.180 120.028 119.914 -0.110 0.000 2.490 330 V HA -0.264 3.857 4.120 0.001 0.000 0.250 330 V C 2.021 178.078 176.094 -0.061 0.000 1.061 330 V CA 1.804 64.071 62.300 -0.055 0.000 1.064 330 V CB -0.680 31.066 31.823 -0.128 0.000 0.670 330 V HN 0.489 nan 8.190 nan 0.000 0.461 331 N N -0.256 118.368 118.700 -0.126 0.000 2.550 331 N HA -0.079 4.661 4.740 0.001 0.000 0.186 331 N C 1.381 176.866 175.510 -0.042 0.000 1.110 331 N CA 0.990 53.994 53.050 -0.077 0.000 0.912 331 N CB 0.031 38.462 38.487 -0.092 0.000 0.968 331 N HN 0.375 nan 8.380 nan 0.000 0.448 332 S N -1.728 113.969 115.700 -0.005 0.000 2.629 332 S HA 0.357 4.828 4.470 0.001 0.000 0.236 332 S C 0.889 175.482 174.600 -0.012 0.000 1.010 332 S CA 0.094 58.296 58.200 0.004 0.000 0.981 332 S CB 0.831 64.065 63.200 0.057 0.000 0.919 332 S HN 0.479 nan 8.310 nan 0.000 0.514 333 G N 1.230 110.023 108.800 -0.012 0.000 2.141 333 G HA2 -0.226 3.734 3.960 0.001 0.000 0.231 333 G HA3 -0.226 3.734 3.960 0.001 0.000 0.231 333 G C -0.139 174.663 174.900 -0.163 0.000 0.984 333 G CA -0.471 44.572 45.100 -0.094 0.000 0.660 333 G HN 0.404 nan 8.290 nan 0.000 0.525 334 F N 0.652 120.566 119.950 -0.061 0.000 2.399 334 F HA 0.611 5.138 4.527 0.001 0.000 0.328 334 F C 1.488 177.287 175.800 -0.001 0.000 1.084 334 F CA 0.731 58.708 58.000 -0.038 0.000 1.053 334 F CB 1.269 40.217 39.000 -0.087 0.000 1.209 334 F HN 0.783 nan 8.300 nan 0.000 0.502 335 G N 1.881 110.814 108.800 0.223 0.000 2.566 335 G HA2 -0.280 3.680 3.960 0.001 0.000 0.280 335 G HA3 -0.280 3.680 3.960 0.001 0.000 0.280 335 G C -0.771 174.198 174.900 0.115 0.000 1.225 335 G CA 0.082 45.282 45.100 0.166 0.000 0.966 335 G HN 0.860 nan 8.290 nan 0.000 0.560 336 Q N -0.992 118.883 119.800 0.125 0.000 2.274 336 Q HA 0.635 4.975 4.340 0.001 0.000 0.268 336 Q C -0.891 175.186 176.000 0.129 0.000 1.015 336 Q CA -0.984 54.873 55.803 0.091 0.000 0.775 336 Q CB 1.662 30.436 28.738 0.060 0.000 1.256 336 Q HN 0.942 nan 8.270 nan 0.000 0.442 337 L N 4.004 125.290 121.223 0.106 0.000 2.380 337 L HA 0.751 5.091 4.340 0.001 0.000 0.273 337 L C 0.315 177.255 176.870 0.116 0.000 1.138 337 L CA 1.868 56.794 54.840 0.144 0.000 0.832 337 L CB 0.890 43.011 42.059 0.103 0.000 1.124 337 L HN 0.862 nan 8.230 nan 0.000 0.454 338 G N 3.695 112.611 108.800 0.193 0.000 2.710 338 G HA2 -0.212 3.749 3.960 0.001 0.000 0.668 338 G HA3 -0.212 3.749 3.960 0.001 0.000 0.668 338 G C -0.545 174.228 174.900 -0.212 0.000 1.320 338 G CA -0.268 44.890 45.100 0.096 0.000 0.860 338 G HN 0.949 nan 8.290 nan 0.000 0.538 339 R N 0.792 120.943 120.500 -0.580 0.000 2.504 339 R HA 0.300 4.640 4.340 0.001 0.000 0.291 339 R C -1.865 173.968 176.300 -0.777 0.000 0.974 339 R CA -0.411 54.918 56.100 -1.285 0.000 1.077 339 R CB -0.126 29.708 30.300 -0.777 0.000 0.926 339 R HN 0.339 nan 8.270 nan 0.000 0.407 340 P HA -0.133 nan 4.420 nan 0.000 0.261 340 P C -1.255 175.884 177.300 -0.268 0.000 1.173 340 P CA 0.723 63.576 63.100 -0.412 0.000 0.760 340 P CB 0.297 31.792 31.700 -0.341 0.000 0.783 341 N N 3.988 122.588 118.700 -0.167 0.000 2.576 341 N HA 0.195 4.935 4.740 0.001 0.000 0.269 341 N C -1.774 173.693 175.510 -0.072 0.000 1.058 341 N CA -1.929 51.052 53.050 -0.114 0.000 0.860 341 N CB 1.366 39.794 38.487 -0.099 0.000 1.249 341 N HN 0.158 nan 8.380 nan 0.000 0.525 342 P HA -0.027 nan 4.420 nan 0.000 0.226 342 P C 0.697 177.980 177.300 -0.027 0.000 1.153 342 P CA 0.576 63.653 63.100 -0.038 0.000 0.777 342 P CB 0.257 31.935 31.700 -0.036 0.000 0.794 343 A N -0.591 122.211 122.820 -0.031 0.000 2.259 343 A HA 0.069 4.390 4.320 0.001 0.000 0.208 343 A C 0.784 178.356 177.584 -0.020 0.000 1.201 343 A CA 0.035 52.058 52.037 -0.023 0.000 0.824 343 A CB -0.893 18.092 19.000 -0.024 0.000 0.838 343 A HN 0.206 nan 8.150 nan 0.000 0.485 344 N N 0.905 119.592 118.700 -0.022 0.000 2.690 344 N HA 0.258 4.998 4.740 0.001 0.000 0.255 344 N C -3.221 172.284 175.510 -0.009 0.000 1.195 344 N CA -0.949 52.092 53.050 -0.016 0.000 0.790 344 N CB 1.746 40.220 38.487 -0.021 0.000 1.216 344 N HN 0.051 nan 8.380 nan 0.000 0.528 345 P HA 0.280 nan 4.420 nan 0.000 0.274 345 P C -2.483 174.825 177.300 0.013 0.000 1.237 345 P CA -0.870 62.235 63.100 0.008 0.000 0.793 345 P CB 0.281 31.988 31.700 0.012 0.000 0.977 346 P HA 0.074 nan 4.420 nan 0.000 0.272 346 P C 0.720 178.035 177.300 0.025 0.000 1.230 346 P CA -0.029 63.091 63.100 0.033 0.000 0.788 346 P CB 0.604 32.342 31.700 0.063 0.000 0.949 347 E N 0.752 120.959 120.200 0.011 0.000 2.112 347 E HA -0.007 4.343 4.350 0.001 0.000 0.190 347 E C -0.093 176.519 176.600 0.020 0.000 0.979 347 E CA 0.721 57.122 56.400 0.002 0.000 0.814 347 E CB 0.076 29.762 29.700 -0.024 0.000 0.762 347 E HN 0.310 nan 8.360 nan 0.000 0.460 348 L N 0.625 121.868 121.223 0.033 0.000 2.370 348 L HA 0.323 4.663 4.340 0.001 0.000 0.266 348 L C -0.243 176.731 176.870 0.173 0.000 1.002 348 L CA -1.024 53.872 54.840 0.093 0.000 0.818 348 L CB 2.009 44.075 42.059 0.013 0.000 1.325 348 L HN 0.067 nan 8.230 nan 0.000 0.418 349 L N 2.284 123.638 121.223 0.219 0.000 3.795 349 L HA -0.186 4.154 4.340 0.001 0.000 0.489 349 L C -1.373 175.604 176.870 0.178 0.000 1.259 349 L CA -0.475 54.501 54.840 0.226 0.000 0.765 349 L CB -1.017 41.219 42.059 0.295 0.000 1.519 349 L HN 0.596 nan 8.230 nan 0.000 0.842 350 P HA -0.168 nan 4.420 nan 0.000 0.217 350 P C 1.285 178.681 177.300 0.161 0.000 1.148 350 P CA 1.431 64.605 63.100 0.124 0.000 0.828 350 P CB 0.225 31.981 31.700 0.093 0.000 0.783 351 S N -0.679 115.133 115.700 0.186 0.000 2.603 351 S HA 0.046 4.517 4.470 0.001 0.000 0.220 351 S C 0.886 175.642 174.600 0.260 0.000 0.967 351 S CA -0.374 57.983 58.200 0.263 0.000 0.920 351 S CB -0.763 62.564 63.200 0.211 0.000 0.773 351 S HN 0.058 nan 8.310 nan 0.000 0.529 352 L N 2.330 123.684 121.223 0.217 0.000 2.499 352 L HA 0.408 4.748 4.340 0.001 0.000 0.273 352 L C 1.247 178.259 176.870 0.237 0.000 1.195 352 L CA 1.114 56.084 54.840 0.217 0.000 0.882 352 L CB -0.340 41.833 42.059 0.191 0.000 1.133 352 L HN 0.348 nan 8.230 nan 0.000 0.483 353 G N 2.503 111.454 108.800 0.252 0.000 2.196 353 G HA2 -0.299 3.662 3.960 0.001 0.000 0.268 353 G HA3 -0.299 3.662 3.960 0.001 0.000 0.268 353 G C 0.497 175.533 174.900 0.227 0.000 0.975 353 G CA 0.545 45.799 45.100 0.256 0.000 0.648 353 G HN 0.820 nan 8.290 nan 0.000 0.538 354 S N -1.485 114.360 115.700 0.242 0.000 2.722 354 S HA 0.636 5.106 4.470 0.001 0.000 0.292 354 S C 0.404 175.192 174.600 0.313 0.000 1.135 354 S CA 0.151 58.448 58.200 0.161 0.000 1.003 354 S CB 0.878 64.096 63.200 0.030 0.000 1.067 354 S HN 0.887 nan 8.310 nan 0.000 0.546 355 Y N -1.152 119.222 120.300 0.124 0.000 4.272 355 Y HA -0.195 4.355 4.550 0.001 0.000 0.232 355 Y C 0.490 176.477 175.900 0.145 0.000 1.149 355 Y CA 0.179 58.350 58.100 0.118 0.000 1.961 355 Y CB -2.227 36.298 38.460 0.108 0.000 1.611 355 Y HN 0.627 nan 8.280 nan 0.000 0.682 356 I N 0.056 120.785 120.570 0.264 0.000 2.634 356 I HA 0.460 4.630 4.170 0.001 0.000 0.284 356 I C 0.716 177.006 176.117 0.289 0.000 1.124 356 I CA 0.404 61.859 61.300 0.258 0.000 1.417 356 I CB 1.280 39.428 38.000 0.247 0.000 1.396 356 I HN 0.214 nan 8.210 nan 0.000 0.571 357 T N 1.949 116.641 114.554 0.231 0.000 2.885 357 T HA 0.702 5.053 4.350 0.001 0.000 0.285 357 T C -0.615 174.135 174.700 0.082 0.000 1.019 357 T CA -0.654 61.576 62.100 0.217 0.000 1.010 357 T CB 2.141 71.094 68.868 0.142 0.000 1.022 357 T HN 0.857 nan 8.240 nan 0.000 0.466 358 E N 0.971 121.204 120.200 0.056 0.000 2.383 358 E HA 0.372 4.723 4.350 0.001 0.000 0.275 358 E C -1.284 175.449 176.600 0.221 0.000 0.918 358 E CA -0.593 55.793 56.400 -0.024 0.000 0.764 358 E CB 2.041 31.533 29.700 -0.347 0.000 1.252 358 E HN 0.732 nan 8.360 nan 0.000 0.449 359 Q N 0.988 120.907 119.800 0.199 0.000 2.259 359 Q HA 0.510 4.850 4.340 0.001 0.000 0.249 359 Q C -0.583 175.576 176.000 0.265 0.000 0.914 359 Q CA -0.663 55.292 55.803 0.253 0.000 0.904 359 Q CB 1.564 30.462 28.738 0.267 0.000 1.213 359 Q HN 0.433 nan 8.270 nan 0.000 0.428 360 S N 1.763 117.530 115.700 0.111 0.000 2.548 360 S HA 0.279 4.749 4.470 0.001 0.000 0.277 360 S C -0.704 173.908 174.600 0.020 0.000 1.315 360 S CA -0.475 57.646 58.200 -0.131 0.000 1.050 360 S CB 0.305 63.352 63.200 -0.255 0.000 0.918 360 S HN 0.359 nan 8.310 nan 0.000 0.497 361 L N 5.711 126.922 121.223 -0.021 0.000 2.356 361 L HA 0.692 5.033 4.340 0.001 0.000 0.277 361 L C -0.609 176.106 176.870 -0.257 0.000 0.996 361 L CA -0.658 54.085 54.840 -0.162 0.000 0.822 361 L CB 1.420 43.364 42.059 -0.193 0.000 1.256 361 L HN 0.463 nan 8.230 nan 0.000 0.413 362 V N 2.363 122.050 119.914 -0.379 0.000 2.732 362 V HA 0.726 4.847 4.120 0.001 0.000 0.310 362 V C -0.856 175.121 176.094 -0.195 0.000 1.053 362 V CA -0.668 61.346 62.300 -0.477 0.000 0.957 362 V CB 1.566 32.924 31.823 -0.774 0.000 1.018 362 V HN 0.802 nan 8.190 nan 0.000 0.452 363 F N 4.326 124.081 119.950 -0.325 0.000 2.608 363 F HA 0.837 5.365 4.527 0.001 0.000 0.309 363 F C -0.344 175.353 175.800 -0.171 0.000 1.103 363 F CA -0.133 57.782 58.000 -0.143 0.000 0.954 363 F CB 1.505 40.494 39.000 -0.018 0.000 1.267 363 F HN 1.196 nan 8.300 nan 0.000 0.444 364 C N 2.475 121.218 119.300 -0.928 0.000 3.314 364 C HA 0.815 5.276 4.460 0.001 0.000 0.344 364 C C -1.676 172.758 174.990 -0.927 0.000 1.461 364 C CA -0.722 57.711 59.018 -0.975 0.000 1.249 364 C CB 1.741 29.123 27.740 -0.595 0.000 1.632 364 C HN 0.947 nan 8.230 nan 0.000 0.452 365 Q N 0.470 120.000 119.800 -0.450 0.000 2.397 365 Q HA 0.703 5.043 4.340 0.001 0.000 0.275 365 Q C -0.758 175.277 176.000 0.058 0.000 1.090 365 Q CA -0.157 55.589 55.803 -0.096 0.000 0.809 365 Q CB 2.782 31.465 28.738 -0.092 0.000 1.362 365 Q HN 0.938 nan 8.270 nan 0.000 0.431 366 T N -2.168 112.503 114.554 0.196 0.000 2.918 366 T HA 0.671 5.022 4.350 0.001 0.000 0.286 366 T C -0.244 174.518 174.700 0.103 0.000 1.026 366 T CA -0.695 61.489 62.100 0.138 0.000 1.031 366 T CB 1.192 70.154 68.868 0.156 0.000 1.046 366 T HN 0.250 nan 8.240 nan 0.000 0.479 367 V N 3.193 123.137 119.914 0.048 0.000 2.407 367 V HA 0.363 4.483 4.120 0.001 0.000 0.278 367 V C 0.469 176.579 176.094 0.027 0.000 1.037 367 V CA -0.932 61.389 62.300 0.035 0.000 0.900 367 V CB 1.124 32.958 31.823 0.017 0.000 0.983 367 V HN 1.011 nan 8.190 nan 0.000 0.459 368 M N 4.795 124.417 119.600 0.037 0.000 2.249 368 M HA 0.144 4.624 4.480 0.001 0.000 0.340 368 M C 0.796 177.105 176.300 0.015 0.000 1.166 368 M CA 0.635 55.957 55.300 0.038 0.000 1.115 368 M CB 0.698 33.319 32.600 0.034 0.000 1.606 368 M HN 0.914 nan 8.290 nan 0.000 0.448 369 S N 2.376 118.082 115.700 0.011 0.000 2.579 369 S HA 0.120 4.590 4.470 0.001 0.000 0.275 369 S C 0.978 175.579 174.600 0.002 0.000 1.345 369 S CA -0.245 57.950 58.200 -0.007 0.000 1.031 369 S CB 0.628 63.819 63.200 -0.015 0.000 0.892 369 S HN 0.802 nan 8.310 nan 0.000 0.529 370 T N 1.304 115.856 114.554 -0.005 0.000 2.720 370 T HA -0.152 4.198 4.350 0.001 0.000 0.268 370 T C 1.613 176.318 174.700 0.009 0.000 1.037 370 T CA 1.885 63.986 62.100 0.002 0.000 1.144 370 T CB -0.506 68.361 68.868 -0.003 0.000 0.864 370 T HN 0.825 nan 8.240 nan 0.000 0.444 371 E N 0.299 120.501 120.200 0.003 0.000 2.085 371 E HA -0.080 4.270 4.350 0.001 0.000 0.194 371 E C 2.124 178.737 176.600 0.023 0.000 0.994 371 E CA 0.846 57.251 56.400 0.007 0.000 0.801 371 E CB -0.147 29.550 29.700 -0.004 0.000 0.743 371 E HN 0.419 nan 8.360 nan 0.000 0.453 372 L N 0.459 121.698 121.223 0.027 0.000 2.072 372 L HA -0.155 4.185 4.340 0.001 0.000 0.205 372 L C 2.322 179.228 176.870 0.061 0.000 1.079 372 L CA 0.292 55.160 54.840 0.048 0.000 0.752 372 L CB -0.223 41.864 42.059 0.047 0.000 0.906 372 L HN 0.261 nan 8.230 nan 0.000 0.436 373 I N 0.082 120.676 120.570 0.041 0.000 2.179 373 I HA -0.297 3.873 4.170 0.001 0.000 0.242 373 I C 2.172 178.318 176.117 0.049 0.000 1.088 373 I CA 1.538 62.858 61.300 0.034 0.000 1.357 373 I CB -1.120 36.892 38.000 0.019 0.000 1.051 373 I HN 0.291 nan 8.210 nan 0.000 0.409 374 D N 0.676 121.104 120.400 0.047 0.000 2.149 374 D HA -0.145 4.496 4.640 0.001 0.000 0.198 374 D C 2.365 178.713 176.300 0.079 0.000 0.990 374 D CA 1.705 55.737 54.000 0.054 0.000 0.839 374 D CB -0.111 40.711 40.800 0.038 0.000 0.948 374 D HN 0.390 nan 8.370 nan 0.000 0.460 375 S N 0.192 115.947 115.700 0.091 0.000 2.399 375 S HA -0.131 4.339 4.470 0.001 0.000 0.231 375 S C 2.216 176.968 174.600 0.253 0.000 1.022 375 S CA 0.888 59.168 58.200 0.134 0.000 0.983 375 S CB -0.626 62.641 63.200 0.111 0.000 0.803 375 S HN 0.087 nan 8.310 nan 0.000 0.480 376 V N 3.052 123.096 119.914 0.218 0.000 2.453 376 V HA -0.179 3.941 4.120 0.001 0.000 0.252 376 V C 2.181 178.416 176.094 0.234 0.000 1.068 376 V CA 2.217 64.669 62.300 0.252 0.000 1.070 376 V CB -0.880 30.999 31.823 0.095 0.000 0.664 376 V HN 0.868 nan 8.190 nan 0.000 0.461 377 K N -0.259 120.244 120.400 0.172 0.000 2.618 377 K HA 0.187 4.508 4.320 0.001 0.000 0.207 377 K C 1.425 178.096 176.600 0.118 0.000 1.058 377 K CA 0.646 57.011 56.287 0.130 0.000 1.086 377 K CB 0.397 32.952 32.500 0.091 0.000 0.827 377 K HN 0.387 nan 8.250 nan 0.000 0.481 378 S N 0.332 116.120 115.700 0.147 0.000 2.423 378 S HA -0.116 4.354 4.470 0.001 0.000 0.231 378 S C 1.036 175.655 174.600 0.031 0.000 1.014 378 S CA 1.023 59.264 58.200 0.068 0.000 0.965 378 S CB -0.158 63.058 63.200 0.027 0.000 0.785 378 S HN 0.292 nan 8.310 nan 0.000 0.495 379 D N 0.822 121.255 120.400 0.055 0.000 2.349 379 D HA 0.180 4.820 4.640 0.001 0.000 0.215 379 D C 0.165 176.511 176.300 0.078 0.000 1.016 379 D CA 0.372 54.393 54.000 0.034 0.000 0.870 379 D CB -0.017 40.798 40.800 0.025 0.000 0.917 379 D HN 0.371 nan 8.370 nan 0.000 0.524 380 M N 0.816 120.463 119.600 0.079 0.000 2.185 380 M HA 0.158 4.638 4.480 0.001 0.000 0.357 380 M C 0.291 176.626 176.300 0.058 0.000 1.260 380 M CA 0.150 55.501 55.300 0.086 0.000 1.124 380 M CB 0.846 33.490 32.600 0.073 0.000 1.600 380 M HN -0.321 nan 8.290 nan 0.000 0.467 381 T N 4.944 119.527 114.554 0.049 0.000 2.806 381 T HA 0.685 5.036 4.350 0.001 0.000 0.290 381 T C 0.153 174.850 174.700 -0.005 0.000 0.966 381 T CA -0.305 61.808 62.100 0.020 0.000 1.060 381 T CB 0.721 69.595 68.868 0.010 0.000 0.927 381 T HN 0.455 nan 8.240 nan 0.000 0.485 382 I N 3.460 124.029 120.570 -0.002 0.000 2.498 382 I HA 0.495 4.665 4.170 0.001 0.000 0.290 382 I C 0.084 176.199 176.117 -0.003 0.000 1.032 382 I CA -0.883 60.401 61.300 -0.026 0.000 1.073 382 I CB 1.819 39.844 38.000 0.040 0.000 1.251 382 I HN 0.362 nan 8.210 nan 0.000 0.426 383 R N 3.691 124.166 120.500 -0.042 0.000 2.740 383 R HA 0.812 5.152 4.340 0.001 0.000 0.282 383 R C -0.013 176.344 176.300 0.094 0.000 0.969 383 R CA -0.740 55.369 56.100 0.016 0.000 0.918 383 R CB 2.081 32.374 30.300 -0.011 0.000 1.175 383 R HN 0.873 nan 8.270 nan 0.000 0.464 384 G N 0.571 109.449 108.800 0.130 0.000 2.725 384 G HA2 -0.249 3.712 3.960 0.001 0.000 0.220 384 G HA3 -0.249 3.712 3.960 0.001 0.000 0.220 384 G C -0.701 174.356 174.900 0.262 0.000 1.357 384 G CA -0.140 45.072 45.100 0.187 0.000 0.866 384 G HN 0.732 nan 8.290 nan 0.000 0.548 385 T N 0.440 115.100 114.554 0.176 0.000 2.848 385 T HA 0.703 5.053 4.350 0.001 0.000 0.285 385 T C -2.548 171.949 174.700 -0.339 0.000 0.995 385 T CA -0.902 61.191 62.100 -0.011 0.000 0.970 385 T CB 1.996 70.850 68.868 -0.023 0.000 0.976 385 T HN 0.549 nan 8.240 nan 0.000 0.441 386 P HA 0.200 nan 4.420 nan 0.000 0.266 386 P C 1.111 178.120 177.300 -0.484 0.000 1.180 386 P CA 1.619 64.021 63.100 -1.163 0.000 0.765 386 P CB 0.085 31.378 31.700 -0.679 0.000 0.806 387 G N 0.383 108.983 108.800 -0.332 0.000 2.176 387 G HA2 -0.221 3.740 3.960 0.001 0.000 0.253 387 G HA3 -0.221 3.740 3.960 0.001 0.000 0.253 387 G C -0.061 174.805 174.900 -0.056 0.000 0.979 387 G CA -0.098 44.923 45.100 -0.131 0.000 0.641 387 G HN 0.580 nan 8.290 nan 0.000 0.530 388 E N -0.806 119.376 120.200 -0.029 0.000 2.249 388 E HA 0.630 4.980 4.350 0.001 0.000 0.263 388 E C 1.100 177.742 176.600 0.070 0.000 0.950 388 E CA -0.983 55.431 56.400 0.024 0.000 0.827 388 E CB 1.276 30.995 29.700 0.032 0.000 1.220 388 E HN 0.056 nan 8.360 nan 0.000 0.411 389 L N 0.833 122.089 121.223 0.054 0.000 2.552 389 L HA -0.050 4.290 4.340 0.001 0.000 0.227 389 L C 1.956 178.866 176.870 0.067 0.000 1.146 389 L CA 0.894 55.768 54.840 0.057 0.000 0.858 389 L CB -0.449 41.630 42.059 0.033 0.000 0.969 389 L HN 0.659 nan 8.230 nan 0.000 0.451 390 T N -4.373 110.227 114.554 0.077 0.000 3.129 390 T HA -0.087 4.263 4.350 0.001 0.000 0.251 390 T C 0.535 175.300 174.700 0.108 0.000 1.117 390 T CA -0.231 61.911 62.100 0.072 0.000 1.034 390 T CB -0.375 68.528 68.868 0.058 0.000 0.968 390 T HN 0.117 nan 8.240 nan 0.000 0.526 391 Y N 2.929 123.232 120.300 0.004 0.000 2.497 391 Y HA 0.443 4.994 4.550 0.001 0.000 0.334 391 Y C 0.126 176.031 175.900 0.008 0.000 1.199 391 Y CA -0.725 57.378 58.100 0.006 0.000 1.425 391 Y CB 0.591 39.054 38.460 0.005 0.000 1.291 391 Y HN 0.209 nan 8.280 nan 0.000 0.562 392 S N 5.414 120.815 115.700 -0.499 0.000 2.572 392 S HA 0.670 5.141 4.470 0.001 0.000 0.274 392 S C -2.191 172.098 174.600 -0.518 0.000 1.150 392 S CA -0.756 57.194 58.200 -0.418 0.000 0.944 392 S CB 0.821 63.923 63.200 -0.164 0.000 1.071 392 S HN 0.538 nan 8.310 nan 0.000 0.479 393 V N 4.580 124.253 119.914 -0.401 0.000 2.378 393 V HA 0.738 4.858 4.120 0.001 0.000 0.288 393 V C 0.216 176.274 176.094 -0.061 0.000 1.016 393 V CA -0.288 61.883 62.300 -0.214 0.000 0.840 393 V CB 1.278 33.007 31.823 -0.156 0.000 0.994 393 V HN 1.051 nan 8.190 nan 0.000 0.431 394 T N 2.049 116.601 114.554 -0.004 0.000 2.906 394 T HA 0.854 5.205 4.350 0.001 0.000 0.295 394 T C -1.005 173.787 174.700 0.153 0.000 1.061 394 T CA -0.706 61.422 62.100 0.048 0.000 1.000 394 T CB 2.235 71.087 68.868 -0.028 0.000 1.103 394 T HN 0.749 nan 8.240 nan 0.000 0.486 395 Y N -1.472 118.821 120.300 -0.011 0.000 2.581 395 Y HA 0.767 5.317 4.550 0.001 0.000 0.345 395 Y C -0.770 175.127 175.900 -0.006 0.000 1.036 395 Y CA -1.325 56.773 58.100 -0.004 0.000 1.042 395 Y CB 1.031 39.498 38.460 0.011 0.000 1.289 395 Y HN 0.621 nan 8.280 nan 0.000 0.471 396 T N 5.261 119.777 114.554 -0.063 0.000 2.762 396 T HA 0.386 4.736 4.350 0.001 0.000 0.303 396 T C -2.636 172.009 174.700 -0.091 0.000 0.977 396 T CA -1.245 60.763 62.100 -0.153 0.000 0.961 396 T CB 0.503 69.337 68.868 -0.057 0.000 0.944 396 T HN 0.402 nan 8.240 nan 0.000 0.481 397 P HA 0.155 nan 4.420 nan 0.000 0.269 397 P C 1.221 178.537 177.300 0.027 0.000 1.217 397 P CA 0.574 63.669 63.100 -0.008 0.000 0.783 397 P CB 0.307 31.973 31.700 -0.057 0.000 0.898 398 G N 0.451 109.292 108.800 0.068 0.000 2.238 398 G HA2 -0.314 3.646 3.960 0.001 0.000 0.270 398 G HA3 -0.314 3.646 3.960 0.001 0.000 0.270 398 G C 0.540 175.450 174.900 0.017 0.000 0.977 398 G CA 0.353 45.475 45.100 0.036 0.000 0.639 398 G HN 0.892 nan 8.290 nan 0.000 0.544 399 A N 0.584 123.415 122.820 0.017 0.000 2.548 399 A HA 0.568 4.889 4.320 0.001 0.000 0.247 399 A C 1.865 179.443 177.584 -0.011 0.000 1.067 399 A CA 1.394 53.431 52.037 0.001 0.000 0.757 399 A CB 0.151 19.153 19.000 0.004 0.000 0.996 399 A HN 1.821 nan 8.150 nan 0.000 0.504 400 S N 2.151 117.840 115.700 -0.017 0.000 2.374 400 S HA -0.210 4.260 4.470 0.001 0.000 0.227 400 S C 1.425 176.000 174.600 -0.042 0.000 1.037 400 S CA 2.051 60.235 58.200 -0.026 0.000 1.024 400 S CB -1.060 62.126 63.200 -0.023 0.000 0.861 400 S HN 1.387 nan 8.310 nan 0.000 0.456 401 T N -0.699 113.830 114.554 -0.042 0.000 3.272 401 T HA 0.276 4.626 4.350 0.001 0.000 0.250 401 T C 0.100 174.751 174.700 -0.082 0.000 1.082 401 T CA -0.551 61.513 62.100 -0.059 0.000 0.968 401 T CB -0.745 68.094 68.868 -0.048 0.000 1.015 401 T HN 0.205 nan 8.240 nan 0.000 0.563 402 N N 2.646 121.298 118.700 -0.079 0.000 2.420 402 N HA 0.198 4.938 4.740 0.001 0.000 0.262 402 N C 0.988 176.362 175.510 -0.226 0.000 1.144 402 N CA -0.383 52.597 53.050 -0.116 0.000 0.952 402 N CB 1.219 39.671 38.487 -0.059 0.000 1.081 402 N HN 0.159 nan 8.380 nan 0.000 0.480 403 K N 1.363 121.537 120.400 -0.377 0.000 2.439 403 K HA -0.004 4.316 4.320 0.001 0.000 0.197 403 K C 0.131 176.283 176.600 -0.746 0.000 1.041 403 K CA 0.878 56.830 56.287 -0.557 0.000 0.970 403 K CB 0.010 32.081 32.500 -0.715 0.000 0.773 403 K HN 0.588 nan 8.250 nan 0.000 0.479 404 H N -0.036 118.752 119.070 -0.470 0.000 2.771 404 H HA 0.359 4.916 4.556 0.001 0.000 0.367 404 H C -2.339 172.700 175.328 -0.482 0.000 1.172 404 H CA -2.510 53.105 56.048 -0.722 0.000 1.186 404 H CB 1.156 30.096 29.762 -1.370 0.000 1.790 404 H HN -0.189 nan 8.280 nan 0.000 0.556 405 P HA 0.030 nan 4.420 nan 0.000 0.274 405 P C 0.393 177.549 177.300 -0.241 0.000 1.246 405 P CA -0.262 62.683 63.100 -0.258 0.000 0.795 405 P CB 1.031 32.533 31.700 -0.330 0.000 1.006 406 D N -0.052 120.334 120.400 -0.024 0.000 2.182 406 D HA -0.138 4.502 4.640 0.001 0.000 0.201 406 D C 1.833 178.190 176.300 0.095 0.000 0.986 406 D CA 1.183 55.246 54.000 0.107 0.000 0.847 406 D CB -0.421 40.522 40.800 0.239 0.000 0.942 406 D HN 0.597 nan 8.370 nan 0.000 0.467 407 W N 0.232 121.607 121.300 0.124 0.000 2.379 407 W HA -0.145 4.515 4.660 0.001 0.000 0.307 407 W C 2.024 178.611 176.519 0.113 0.000 1.200 407 W CA 0.162 57.572 57.345 0.108 0.000 1.297 407 W CB -1.474 28.043 29.460 0.096 0.000 1.140 407 W HN 0.025 nan 8.180 nan 0.000 0.507 408 W N 3.717 124.496 121.300 -0.869 0.000 2.315 408 W HA -0.262 4.398 4.660 0.001 0.000 0.323 408 W C 1.980 178.221 176.519 -0.464 0.000 1.233 408 W CA 2.263 59.124 57.345 -0.807 0.000 1.267 408 W CB -1.155 27.595 29.460 -1.183 0.000 1.160 408 W HN -0.033 nan 8.180 nan 0.000 0.474 409 N N 0.806 119.439 118.700 -0.112 0.000 2.137 409 N HA -0.235 4.505 4.740 0.001 0.000 0.190 409 N C 1.522 176.719 175.510 -0.523 0.000 1.017 409 N CA 2.179 54.939 53.050 -0.483 0.000 0.859 409 N CB -0.771 37.055 38.487 -1.101 0.000 1.002 409 N HN 0.308 nan 8.380 nan 0.000 0.428 410 E N 1.237 121.289 120.200 -0.246 0.000 2.072 410 E HA -0.048 4.302 4.350 0.001 0.000 0.191 410 E C 1.643 178.279 176.600 0.058 0.000 0.985 410 E CA 1.221 57.642 56.400 0.035 0.000 0.801 410 E CB 0.045 29.858 29.700 0.190 0.000 0.750 410 E HN 0.254 nan 8.360 nan 0.000 0.452 411 K N -0.506 119.924 120.400 0.050 0.000 2.057 411 K HA -0.094 4.226 4.320 0.001 0.000 0.207 411 K C 2.064 178.667 176.600 0.005 0.000 1.049 411 K CA 1.405 57.716 56.287 0.041 0.000 0.931 411 K CB -0.076 32.437 32.500 0.022 0.000 0.714 411 K HN 0.025 nan 8.250 nan 0.000 0.440 412 V N 1.732 121.612 119.914 -0.057 0.000 2.270 412 V HA -0.253 3.867 4.120 0.001 0.000 0.245 412 V C 2.339 178.464 176.094 0.051 0.000 1.043 412 V CA 1.686 63.967 62.300 -0.032 0.000 1.014 412 V CB -0.447 31.348 31.823 -0.046 0.000 0.645 412 V HN 0.345 nan 8.190 nan 0.000 0.447 413 K N 0.446 120.864 120.400 0.031 0.000 2.034 413 K HA -0.292 4.029 4.320 0.001 0.000 0.214 413 K C 2.011 178.666 176.600 0.091 0.000 1.051 413 K CA 2.307 58.644 56.287 0.084 0.000 0.931 413 K CB -0.286 32.317 32.500 0.173 0.000 0.715 413 K HN 0.426 nan 8.250 nan 0.000 0.446 414 N N 0.182 118.942 118.700 0.100 0.000 2.166 414 N HA -0.186 4.555 4.740 0.001 0.000 0.186 414 N C 1.743 177.314 175.510 0.102 0.000 1.019 414 N CA 1.561 54.667 53.050 0.093 0.000 0.856 414 N CB -0.600 37.949 38.487 0.103 0.000 0.993 414 N HN 0.471 nan 8.380 nan 0.000 0.426 415 H N 0.237 119.335 119.070 0.047 0.000 2.357 415 H HA 0.129 4.686 4.556 0.001 0.000 0.301 415 H C 1.980 177.362 175.328 0.090 0.000 1.082 415 H CA 1.552 57.646 56.048 0.077 0.000 1.342 415 H CB -0.023 29.711 29.762 -0.046 0.000 1.389 415 H HN 0.102 nan 8.280 nan 0.000 0.511 416 M N -0.727 118.908 119.600 0.058 0.000 2.229 416 M HA -0.113 4.368 4.480 0.001 0.000 0.264 416 M C 1.656 178.007 176.300 0.086 0.000 1.063 416 M CA 1.024 56.364 55.300 0.066 0.000 1.114 416 M CB 0.120 32.814 32.600 0.157 0.000 1.387 416 M HN 0.364 nan 8.290 nan 0.000 0.420 417 M N -0.654 118.970 119.600 0.041 0.000 2.334 417 M HA -0.066 4.414 4.480 0.001 0.000 0.266 417 M C 1.740 178.018 176.300 -0.037 0.000 1.082 417 M CA 1.536 56.864 55.300 0.046 0.000 1.141 417 M CB -0.786 31.819 32.600 0.009 0.000 1.380 417 M HN 0.275 nan 8.290 nan 0.000 0.440 418 Q N -0.794 118.911 119.800 -0.159 0.000 2.389 418 Q HA -0.023 4.318 4.340 0.001 0.000 0.204 418 Q C -0.095 175.469 176.000 -0.725 0.000 0.944 418 Q CA 0.672 56.242 55.803 -0.389 0.000 0.908 418 Q CB 0.429 28.906 28.738 -0.435 0.000 1.002 418 Q HN 0.467 nan 8.270 nan 0.000 0.493 419 H N -0.149 118.838 119.070 -0.137 0.000 2.429 419 H HA 0.188 4.744 4.556 0.001 0.000 0.231 419 H C -0.132 175.126 175.328 -0.116 0.000 1.416 419 H CA -0.085 55.884 56.048 -0.131 0.000 1.443 419 H CB 0.561 30.172 29.762 -0.251 0.000 1.591 419 H HN 0.230 nan 8.280 nan 0.000 0.507 420 Q N 0.642 120.446 119.800 0.005 0.000 2.435 420 Q HA -0.085 4.255 4.340 0.001 0.000 0.207 420 Q C 1.721 177.698 176.000 -0.038 0.000 0.956 420 Q CA 0.622 56.410 55.803 -0.026 0.000 0.917 420 Q CB 0.490 29.193 28.738 -0.059 0.000 0.997 420 Q HN 0.525 nan 8.270 nan 0.000 0.497 421 E N 0.878 121.093 120.200 0.025 0.000 2.427 421 E HA -0.095 4.255 4.350 0.001 0.000 0.196 421 E C -0.348 176.294 176.600 0.071 0.000 1.028 421 E CA 0.507 56.930 56.400 0.039 0.000 0.864 421 E CB 0.063 29.803 29.700 0.068 0.000 0.813 421 E HN 0.126 nan 8.360 nan 0.000 0.514 422 D N 1.688 122.145 120.400 0.096 0.000 2.193 422 D HA 0.169 4.810 4.640 0.001 0.000 0.244 422 D C -1.737 174.626 176.300 0.105 0.000 1.064 422 D CA -2.298 51.785 54.000 0.139 0.000 0.845 422 D CB 1.763 42.683 40.800 0.200 0.000 1.148 422 D HN -0.199 nan 8.370 nan 0.000 0.464 423 P HA 0.145 nan 4.420 nan 0.000 0.255 423 P C -0.349 176.993 177.300 0.070 0.000 1.248 423 P CA 0.154 63.294 63.100 0.067 0.000 0.807 423 P CB 0.390 32.120 31.700 0.050 0.000 1.150 424 L N 1.548 122.821 121.223 0.082 0.000 2.342 424 L HA 0.411 4.752 4.340 0.001 0.000 0.271 424 L C -1.514 175.370 176.870 0.024 0.000 1.008 424 L CA -2.308 52.548 54.840 0.027 0.000 0.818 424 L CB 2.530 44.570 42.059 -0.031 0.000 1.296 424 L HN -0.345 nan 8.230 nan 0.000 0.427 425 P HA 0.051 nan 4.420 nan 0.000 0.245 425 P C 0.224 177.358 177.300 -0.276 0.000 1.206 425 P CA 0.671 63.753 63.100 -0.031 0.000 0.781 425 P CB 0.339 32.038 31.700 -0.001 0.000 0.994 426 I N 2.325 122.652 120.570 -0.405 0.000 2.371 426 I HA 0.219 4.390 4.170 0.001 0.000 0.290 426 I C -2.161 173.454 176.117 -0.837 0.000 1.028 426 I CA -2.780 58.227 61.300 -0.488 0.000 1.345 426 I CB 0.759 38.570 38.000 -0.315 0.000 1.407 426 I HN -0.243 nan 8.210 nan 0.000 0.501 427 P HA 0.047 nan 4.420 nan 0.000 0.268 427 P C 0.407 177.466 177.300 -0.401 0.000 1.205 427 P CA -0.088 62.642 63.100 -0.615 0.000 0.771 427 P CB 0.362 31.933 31.700 -0.215 0.000 0.858 428 F N 0.848 120.722 119.950 -0.126 0.000 2.115 428 F HA -0.182 4.345 4.527 0.001 0.000 0.300 428 F C 1.854 177.625 175.800 -0.049 0.000 1.092 428 F CA 1.660 59.617 58.000 -0.073 0.000 1.245 428 F CB -0.897 38.072 39.000 -0.053 0.000 0.995 428 F HN 0.365 nan 8.300 nan 0.000 0.481 429 E N 0.322 120.604 120.200 0.137 0.000 2.394 429 E HA 0.005 4.355 4.350 0.001 0.000 0.191 429 E C -0.364 176.256 176.600 0.033 0.000 1.044 429 E CA -0.061 56.391 56.400 0.087 0.000 0.939 429 E CB -0.533 29.219 29.700 0.086 0.000 1.089 429 E HN 0.324 nan 8.360 nan 0.000 0.456 430 D N 2.207 122.606 120.400 -0.003 0.000 2.383 430 D HA 0.065 4.705 4.640 0.001 0.000 0.252 430 D C -2.362 173.950 176.300 0.019 0.000 1.166 430 D CA -1.628 52.355 54.000 -0.028 0.000 0.879 430 D CB 0.947 41.687 40.800 -0.100 0.000 1.164 430 D HN -0.139 nan 8.370 nan 0.000 0.462 431 P HA 0.056 nan 4.420 nan 0.000 0.270 431 P C -0.515 176.880 177.300 0.158 0.000 1.223 431 P CA -0.306 62.878 63.100 0.140 0.000 0.785 431 P CB 0.378 32.177 31.700 0.163 0.000 0.923 432 E N 2.400 122.697 120.200 0.162 0.000 2.390 432 E HA 0.182 4.532 4.350 0.001 0.000 0.261 432 E C -2.449 174.136 176.600 -0.024 0.000 1.076 432 E CA -2.061 54.358 56.400 0.031 0.000 0.905 432 E CB -0.889 28.794 29.700 -0.028 0.000 0.984 432 E HN 0.225 nan 8.360 nan 0.000 0.427 433 P HA 0.005 nan 4.420 nan 0.000 0.268 433 P C -0.393 176.894 177.300 -0.020 0.000 1.208 433 P CA 0.214 63.368 63.100 0.091 0.000 0.777 433 P CB 0.328 32.046 31.700 0.030 0.000 0.875 434 Q N 0.719 120.628 119.800 0.183 0.000 3.712 434 Q HA 0.281 4.622 4.340 0.001 0.000 0.242 434 Q C -1.068 175.027 176.000 0.158 0.000 0.837 434 Q CA -0.219 55.569 55.803 -0.024 0.000 0.826 434 Q CB 0.990 29.470 28.738 -0.429 0.000 1.529 434 Q HN 0.166 nan 8.270 nan 0.000 0.405 435 V N 0.338 120.293 119.914 0.068 0.000 2.732 435 V HA 0.787 4.908 4.120 0.001 0.000 0.310 435 V C 0.186 176.281 176.094 0.000 0.000 1.053 435 V CA -0.477 61.850 62.300 0.045 0.000 0.957 435 V CB 2.104 33.907 31.823 -0.032 0.000 1.018 435 V HN 0.420 nan 8.190 nan 0.000 0.452 436 T N 1.184 115.769 114.554 0.053 0.000 2.923 436 T HA 0.464 4.814 4.350 0.001 0.000 0.311 436 T C -1.035 173.624 174.700 -0.068 0.000 1.183 436 T CA -0.301 61.784 62.100 -0.024 0.000 1.020 436 T CB 1.825 70.689 68.868 -0.008 0.000 1.165 436 T HN 0.877 nan 8.240 nan 0.000 0.482 437 T N 4.781 119.183 114.554 -0.253 0.000 2.772 437 T HA 0.597 4.948 4.350 0.001 0.000 0.288 437 T C -0.016 174.582 174.700 -0.170 0.000 0.994 437 T CA -0.625 61.203 62.100 -0.454 0.000 0.951 437 T CB -0.074 68.154 68.868 -1.067 0.000 0.933 437 T HN 0.543 nan 8.240 nan 0.000 0.447 438 L N 4.564 125.748 121.223 -0.065 0.000 2.461 438 L HA 0.323 4.663 4.340 0.001 0.000 0.272 438 L C 0.783 177.666 176.870 0.022 0.000 1.197 438 L CA -0.796 54.078 54.840 0.055 0.000 0.836 438 L CB 0.133 42.206 42.059 0.024 0.000 1.105 438 L HN 0.654 nan 8.230 nan 0.000 0.477 439 F N 3.305 123.191 119.950 -0.107 0.000 2.537 439 F HA -0.133 4.395 4.527 0.001 0.000 0.402 439 F C 0.386 175.922 175.800 -0.441 0.000 1.005 439 F CA 0.661 58.503 58.000 -0.263 0.000 1.203 439 F CB 0.080 38.979 39.000 -0.167 0.000 0.955 439 F HN 0.410 nan 8.300 nan 0.000 0.547 440 Q N 6.842 126.147 119.800 -0.825 0.000 2.528 440 Q HA 0.295 4.635 4.340 0.001 0.000 0.289 440 Q C -1.941 173.633 176.000 -0.710 0.000 1.091 440 Q CA -1.819 53.602 55.803 -0.638 0.000 0.797 440 Q CB 1.200 29.434 28.738 -0.840 0.000 1.466 440 Q HN 0.240 nan 8.270 nan 0.000 0.436 441 P HA -0.218 nan 4.420 nan 0.000 0.216 441 P C 1.354 178.446 177.300 -0.347 0.000 1.157 441 P CA 2.319 65.261 63.100 -0.263 0.000 0.880 441 P CB 0.137 31.766 31.700 -0.117 0.000 0.791 442 S N -0.869 114.646 115.700 -0.309 0.000 2.515 442 S HA -0.132 4.338 4.470 0.001 0.000 0.231 442 S C 0.759 175.174 174.600 -0.309 0.000 0.987 442 S CA 0.380 58.457 58.200 -0.206 0.000 0.936 442 S CB -1.082 62.089 63.200 -0.049 0.000 0.766 442 S HN 0.376 nan 8.310 nan 0.000 0.528 443 H N -0.668 117.970 119.070 -0.721 0.000 2.596 443 H HA 0.404 4.961 4.556 0.001 0.000 0.240 443 H C -3.440 170.811 175.328 -1.796 0.000 1.406 443 H CA -1.847 53.391 56.048 -1.349 0.000 1.504 443 H CB 0.298 29.491 29.762 -0.949 0.000 1.688 443 H HN 0.204 nan 8.280 nan 0.000 0.546 444 P HA 0.136 nan 4.420 nan 0.000 0.219 444 P C -1.048 175.613 177.300 -1.064 0.000 1.832 444 P CA 0.160 62.164 63.100 -1.827 0.000 1.014 444 P CB -1.079 30.059 31.700 -0.937 0.000 1.939 445 W N 0.095 121.040 121.300 -0.591 0.000 3.213 445 W HA 0.527 5.187 4.660 0.001 0.000 0.318 445 W C -0.974 175.614 176.519 0.115 0.000 1.248 445 W CA -1.262 56.068 57.345 -0.027 0.000 1.187 445 W CB 0.117 29.601 29.460 0.039 0.000 1.403 445 W HN 0.034 nan 8.180 nan 0.000 0.556 446 H N 1.107 120.435 119.070 0.430 0.000 2.505 446 H HA 0.713 5.269 4.556 0.001 0.000 0.351 446 H C -0.203 175.275 175.328 0.250 0.000 1.151 446 H CA 0.473 56.678 56.048 0.262 0.000 1.339 446 H CB 1.533 31.387 29.762 0.154 0.000 1.483 446 H HN 0.583 nan 8.280 nan 0.000 0.558 447 T N 2.070 116.263 114.554 -0.602 0.000 2.886 447 T HA 0.488 4.838 4.350 0.001 0.000 0.292 447 T C -0.739 173.654 174.700 -0.511 0.000 1.012 447 T CA -1.093 60.678 62.100 -0.548 0.000 0.982 447 T CB 1.643 70.102 68.868 -0.681 0.000 1.018 447 T HN 0.672 nan 8.240 nan 0.000 0.451 448 Q N 1.746 121.439 119.800 -0.178 0.000 2.323 448 Q HA 0.623 4.964 4.340 0.001 0.000 0.271 448 Q C -1.164 174.726 176.000 -0.182 0.000 1.048 448 Q CA -0.730 54.888 55.803 -0.309 0.000 0.792 448 Q CB 2.705 31.110 28.738 -0.555 0.000 1.280 448 Q HN 0.733 nan 8.270 nan 0.000 0.441 449 I N 3.757 124.187 120.570 -0.233 0.000 2.563 449 I HA 0.356 4.527 4.170 0.001 0.000 0.276 449 I C -0.490 175.526 176.117 -0.167 0.000 1.074 449 I CA -0.245 60.814 61.300 -0.402 0.000 1.124 449 I CB 0.378 38.036 38.000 -0.571 0.000 1.225 449 I HN 0.776 nan 8.210 nan 0.000 0.482 450 H N 3.170 122.064 119.070 -0.295 0.000 3.150 450 H HA 0.728 5.284 4.556 0.001 0.000 0.270 450 H C -1.215 174.036 175.328 -0.128 0.000 1.573 450 H CA -1.311 54.632 56.048 -0.175 0.000 1.195 450 H CB 1.388 31.077 29.762 -0.121 0.000 1.874 450 H HN 0.173 nan 8.280 nan 0.000 0.691 451 R N 1.167 121.477 120.500 -0.317 0.000 2.502 451 R HA 0.293 4.633 4.340 0.001 0.000 0.298 451 R C -2.000 174.046 176.300 -0.424 0.000 1.018 451 R CA -0.500 55.387 56.100 -0.355 0.000 0.899 451 R CB 1.414 31.617 30.300 -0.162 0.000 1.181 451 R HN 0.694 nan 8.270 nan 0.000 0.444 452 D N 2.251 122.376 120.400 -0.458 0.000 2.248 452 D HA 0.340 4.980 4.640 0.001 0.000 0.246 452 D C 0.346 176.552 176.300 -0.156 0.000 1.027 452 D CA -0.236 53.578 54.000 -0.311 0.000 0.853 452 D CB 2.199 42.836 40.800 -0.271 0.000 1.243 452 D HN 0.580 nan 8.370 nan 0.000 0.462 453 A N 3.705 126.477 122.820 -0.080 0.000 1.972 453 A HA -0.171 4.149 4.320 0.001 0.000 0.219 453 A C 1.217 178.864 177.584 0.104 0.000 1.169 453 A CA 0.692 52.745 52.037 0.027 0.000 0.635 453 A CB -0.338 18.728 19.000 0.110 0.000 0.810 453 A HN 0.532 nan 8.150 nan 0.000 0.446 454 F N 2.781 122.658 119.950 -0.121 0.000 2.859 454 F HA 0.238 4.765 4.527 0.001 0.000 0.315 454 F C 0.968 176.486 175.800 -0.469 0.000 1.207 454 F CA -1.026 56.859 58.000 -0.192 0.000 1.370 454 F CB -1.316 37.625 39.000 -0.097 0.000 1.314 454 F HN 0.173 nan 8.300 nan 0.000 0.555 455 S N -0.282 115.160 115.700 -0.430 0.000 2.569 455 S HA -0.032 4.438 4.470 0.001 0.000 0.274 455 S C 0.420 174.560 174.600 -0.767 0.000 1.353 455 S CA -0.176 57.623 58.200 -0.669 0.000 1.023 455 S CB 0.284 63.329 63.200 -0.258 0.000 0.876 455 S HN 0.497 nan 8.310 nan 0.000 0.540 456 Y N 0.340 120.338 120.300 -0.503 0.000 2.485 456 Y HA 0.456 5.006 4.550 0.001 0.000 0.260 456 Y C 1.309 177.051 175.900 -0.264 0.000 1.173 456 Y CA -0.338 57.446 58.100 -0.527 0.000 1.252 456 Y CB 0.362 38.402 38.460 -0.699 0.000 1.123 456 Y HN 0.948 nan 8.280 nan 0.000 0.524 457 G N -0.208 108.553 108.800 -0.065 0.000 2.677 457 G HA2 0.558 4.519 3.960 0.001 0.000 0.291 457 G HA3 0.558 4.519 3.960 0.001 0.000 0.291 457 G C -1.265 173.628 174.900 -0.012 0.000 1.435 457 G CA -0.680 44.409 45.100 -0.018 0.000 0.826 457 G HN 0.128 nan 8.290 nan 0.000 0.491 458 A N -0.196 122.623 122.820 -0.001 0.000 2.591 458 A HA 0.406 4.726 4.320 0.001 0.000 0.244 458 A C 0.748 178.337 177.584 0.009 0.000 1.031 458 A CA 0.331 52.371 52.037 0.005 0.000 0.767 458 A CB 0.266 19.271 19.000 0.008 0.000 0.942 458 A HN 1.735 nan 8.150 nan 0.000 0.514 459 V N 2.982 122.902 119.914 0.010 0.000 2.785 459 V HA 0.352 4.472 4.120 0.001 0.000 0.300 459 V C 0.517 176.622 176.094 0.017 0.000 1.062 459 V CA -0.445 61.863 62.300 0.013 0.000 1.029 459 V CB 1.564 33.393 31.823 0.010 0.000 1.024 459 V HN 1.113 nan 8.190 nan 0.000 0.477 460 Q N 3.307 123.119 119.800 0.020 0.000 2.373 460 Q HA 0.241 4.581 4.340 0.001 0.000 0.255 460 Q C 0.099 176.111 176.000 0.020 0.000 0.980 460 Q CA 0.425 56.241 55.803 0.021 0.000 0.882 460 Q CB 1.080 29.832 28.738 0.023 0.000 1.249 460 Q HN 0.721 nan 8.270 nan 0.000 0.438 461 Q N 1.291 121.102 119.800 0.018 0.000 2.157 461 Q HA 0.085 4.425 4.340 0.001 0.000 0.235 461 Q C 0.979 176.990 176.000 0.019 0.000 0.803 461 Q CA 0.387 56.200 55.803 0.018 0.000 0.967 461 Q CB 0.683 29.430 28.738 0.015 0.000 1.150 461 Q HN 0.722 nan 8.270 nan 0.000 0.482 462 S N 0.164 115.875 115.700 0.018 0.000 2.377 462 S HA 0.045 4.516 4.470 0.001 0.000 0.223 462 S C 0.959 175.572 174.600 0.021 0.000 1.030 462 S CA 0.350 58.561 58.200 0.018 0.000 0.970 462 S CB 0.281 63.491 63.200 0.016 0.000 0.830 462 S HN 0.107 nan 8.310 nan 0.000 0.473 463 I N 3.018 123.602 120.570 0.023 0.000 2.353 463 I HA 0.297 4.468 4.170 0.001 0.000 0.293 463 I C 0.276 176.411 176.117 0.030 0.000 0.992 463 I CA -1.129 60.186 61.300 0.025 0.000 1.268 463 I CB 0.878 38.892 38.000 0.024 0.000 1.387 463 I HN 0.262 nan 8.210 nan 0.000 0.478 464 D N 3.941 124.363 120.400 0.036 0.000 2.493 464 D HA -0.067 4.573 4.640 0.001 0.000 0.240 464 D C 1.194 177.518 176.300 0.039 0.000 1.142 464 D CA 0.222 54.249 54.000 0.046 0.000 0.872 464 D CB 1.191 42.025 40.800 0.056 0.000 1.173 464 D HN 0.666 nan 8.370 nan 0.000 0.467 465 S N 4.438 120.164 115.700 0.043 0.000 2.400 465 S HA -0.209 4.261 4.470 0.001 0.000 0.232 465 S C 1.693 176.309 174.600 0.028 0.000 1.025 465 S CA 0.689 58.909 58.200 0.034 0.000 0.993 465 S CB -0.097 63.125 63.200 0.037 0.000 0.808 465 S HN 0.574 nan 8.310 nan 0.000 0.478 466 R N 0.897 121.415 120.500 0.030 0.000 2.241 466 R HA 0.141 4.482 4.340 0.001 0.000 0.224 466 R C 1.763 178.062 176.300 -0.001 0.000 1.101 466 R CA 1.180 57.282 56.100 0.003 0.000 0.995 466 R CB -0.576 29.709 30.300 -0.026 0.000 0.870 466 R HN 0.460 nan 8.270 nan 0.000 0.463 467 L N 0.189 121.419 121.223 0.012 0.000 2.509 467 L HA 0.154 4.495 4.340 0.001 0.000 0.222 467 L C 0.588 177.477 176.870 0.032 0.000 1.123 467 L CA 0.003 54.854 54.840 0.018 0.000 0.856 467 L CB 0.160 42.232 42.059 0.021 0.000 0.985 467 L HN 0.052 nan 8.230 nan 0.000 0.456 468 I N 0.534 121.121 120.570 0.028 0.000 2.371 468 I HA 0.170 4.340 4.170 0.001 0.000 0.290 468 I C -0.532 175.603 176.117 0.030 0.000 1.028 468 I CA -0.228 61.094 61.300 0.037 0.000 1.345 468 I CB 1.404 39.420 38.000 0.027 0.000 1.407 468 I HN -0.261 nan 8.210 nan 0.000 0.501 469 V N 5.423 125.378 119.914 0.068 0.000 2.604 469 V HA 0.343 4.463 4.120 0.001 0.000 0.305 469 V C -0.582 175.526 176.094 0.023 0.000 1.043 469 V CA -0.888 61.419 62.300 0.011 0.000 0.888 469 V CB 1.989 33.818 31.823 0.010 0.000 0.995 469 V HN 0.558 nan 8.190 nan 0.000 0.429 470 D N 2.280 122.625 120.400 -0.093 0.000 2.264 470 D HA 0.475 5.115 4.640 0.001 0.000 0.249 470 D C -1.003 175.243 176.300 -0.091 0.000 1.070 470 D CA 0.110 54.093 54.000 -0.028 0.000 0.912 470 D CB 1.278 42.053 40.800 -0.042 0.000 1.193 470 D HN 0.461 nan 8.370 nan 0.000 0.427 471 W N 1.037 122.323 121.300 -0.024 0.000 2.619 471 W HA 0.436 5.097 4.660 0.001 0.000 0.327 471 W C 0.065 176.657 176.519 0.121 0.000 1.027 471 W CA -0.821 56.569 57.345 0.076 0.000 1.233 471 W CB 1.292 30.696 29.460 -0.093 0.000 1.370 471 W HN -0.065 nan 8.180 nan 0.000 0.453 472 R N 2.993 123.763 120.500 0.449 0.000 2.473 472 R HA 0.502 4.842 4.340 0.001 0.000 0.303 472 R C -1.491 175.007 176.300 0.330 0.000 1.002 472 R CA -0.802 55.452 56.100 0.257 0.000 0.884 472 R CB 1.434 31.870 30.300 0.227 0.000 1.173 472 R HN 0.173 nan 8.270 nan 0.000 0.464 473 F N 3.074 122.890 119.950 -0.223 0.000 2.469 473 F HA 0.512 5.039 4.527 0.001 0.000 0.332 473 F C -0.330 175.352 175.800 -0.196 0.000 1.103 473 F CA -1.340 56.600 58.000 -0.099 0.000 0.979 473 F CB 1.101 39.990 39.000 -0.186 0.000 1.137 473 F HN 0.288 nan 8.300 nan 0.000 0.463 474 F N 1.183 121.298 119.950 0.275 0.000 2.477 474 F HA 0.645 5.173 4.527 0.001 0.000 0.335 474 F C 0.561 176.539 175.800 0.296 0.000 1.130 474 F CA -1.191 56.968 58.000 0.265 0.000 0.948 474 F CB 1.519 40.727 39.000 0.347 0.000 1.154 474 F HN 0.521 nan 8.300 nan 0.000 0.439 475 G N 1.987 111.003 108.800 0.361 0.000 2.451 475 G HA2 0.613 4.573 3.960 0.001 0.000 0.303 475 G HA3 0.613 4.573 3.960 0.001 0.000 0.303 475 G C -0.806 174.263 174.900 0.281 0.000 1.166 475 G CA -1.066 44.232 45.100 0.329 0.000 0.884 475 G HN 0.717 nan 8.290 nan 0.000 0.514 476 R N -0.570 120.102 120.500 0.287 0.000 2.404 476 R HA 0.606 4.947 4.340 0.001 0.000 0.291 476 R C -0.959 175.441 176.300 0.165 0.000 1.025 476 R CA -0.497 55.711 56.100 0.181 0.000 0.991 476 R CB 1.091 31.529 30.300 0.230 0.000 1.053 476 R HN 0.246 nan 8.270 nan 0.000 0.479 477 T N 2.847 117.471 114.554 0.116 0.000 2.786 477 T HA 0.147 4.498 4.350 0.001 0.000 0.283 477 T C -0.739 174.050 174.700 0.148 0.000 0.992 477 T CA -0.744 61.471 62.100 0.192 0.000 0.954 477 T CB 1.116 70.175 68.868 0.318 0.000 0.934 477 T HN 0.590 nan 8.240 nan 0.000 0.440 478 E N 4.643 124.931 120.200 0.146 0.000 2.529 478 E HA 0.075 4.425 4.350 0.001 0.000 0.259 478 E C -2.162 174.522 176.600 0.139 0.000 0.966 478 E CA -1.144 55.333 56.400 0.128 0.000 0.937 478 E CB 0.184 29.948 29.700 0.106 0.000 0.923 478 E HN 0.309 nan 8.360 nan 0.000 0.468 479 P HA 0.186 nan 4.420 nan 0.000 0.286 479 P C -0.890 176.547 177.300 0.229 0.000 1.269 479 P CA -0.356 62.878 63.100 0.224 0.000 0.787 479 P CB 0.939 32.799 31.700 0.267 0.000 0.920 480 K N 2.043 122.523 120.400 0.134 0.000 2.422 480 K HA 0.211 4.532 4.320 0.001 0.000 0.251 480 K C 0.906 177.318 176.600 -0.313 0.000 0.933 480 K CA -0.766 55.513 56.287 -0.013 0.000 0.798 480 K CB 2.297 34.761 32.500 -0.060 0.000 1.238 480 K HN 0.459 nan 8.250 nan 0.000 0.428 481 E N 1.835 121.693 120.200 -0.570 0.000 2.110 481 E HA -0.198 4.152 4.350 0.001 0.000 0.193 481 E C 0.948 177.316 176.600 -0.387 0.000 0.988 481 E CA 1.421 57.297 56.400 -0.874 0.000 0.804 481 E CB 0.453 29.816 29.700 -0.563 0.000 0.745 481 E HN 0.559 nan 8.360 nan 0.000 0.458 482 E N 0.344 120.413 120.200 -0.219 0.000 2.418 482 E HA -0.101 4.250 4.350 0.001 0.000 0.197 482 E C -0.071 176.479 176.600 -0.082 0.000 1.026 482 E CA 0.281 56.608 56.400 -0.123 0.000 0.862 482 E CB -0.205 29.438 29.700 -0.096 0.000 0.799 482 E HN 0.070 nan 8.360 nan 0.000 0.518 483 N N 1.902 120.543 118.700 -0.097 0.000 2.408 483 N HA 0.204 4.944 4.740 0.001 0.000 0.257 483 N C -0.806 174.770 175.510 0.109 0.000 1.064 483 N CA 0.054 53.100 53.050 -0.007 0.000 0.952 483 N CB 1.236 39.685 38.487 -0.063 0.000 1.093 483 N HN 0.095 nan 8.380 nan 0.000 0.490 484 K N 1.218 121.738 120.400 0.199 0.000 2.469 484 K HA 0.439 4.760 4.320 0.001 0.000 0.254 484 K C -1.173 175.570 176.600 0.238 0.000 0.939 484 K CA -0.886 55.534 56.287 0.221 0.000 0.812 484 K CB 2.476 35.117 32.500 0.235 0.000 1.301 484 K HN 0.206 nan 8.250 nan 0.000 0.433 485 L N 3.773 125.086 121.223 0.150 0.000 2.307 485 L HA 0.614 4.954 4.340 0.001 0.000 0.284 485 L C -1.318 175.470 176.870 -0.137 0.000 1.023 485 L CA -0.025 54.721 54.840 -0.157 0.000 0.810 485 L CB 0.615 42.582 42.059 -0.154 0.000 1.231 485 L HN 0.696 nan 8.230 nan 0.000 0.423 486 W N 3.375 124.355 121.300 -0.533 0.000 3.032 486 W HA 0.624 5.284 4.660 0.001 0.000 0.341 486 W C -2.213 173.852 176.519 -0.756 0.000 1.202 486 W CA -1.175 55.943 57.345 -0.379 0.000 1.132 486 W CB 0.884 30.277 29.460 -0.112 0.000 1.465 486 W HN 0.361 nan 8.180 nan 0.000 0.576 487 F N 1.478 121.630 119.950 0.337 0.000 2.529 487 F HA 0.363 4.890 4.527 0.001 0.000 0.320 487 F C 0.733 176.714 175.800 0.302 0.000 1.118 487 F CA -0.960 57.132 58.000 0.153 0.000 0.915 487 F CB 2.164 41.219 39.000 0.093 0.000 1.161 487 F HN 0.251 nan 8.300 nan 0.000 0.445 488 S N 0.899 116.779 115.700 0.300 0.000 2.564 488 S HA 0.082 4.552 4.470 0.001 0.000 0.278 488 S C 0.662 175.407 174.600 0.242 0.000 1.333 488 S CA -0.494 57.895 58.200 0.314 0.000 1.048 488 S CB 0.428 63.728 63.200 0.167 0.000 0.900 488 S HN 0.709 nan 8.310 nan 0.000 0.505 489 D N 2.684 123.204 120.400 0.201 0.000 2.339 489 D HA 0.132 4.772 4.640 0.001 0.000 0.217 489 D C 1.047 177.406 176.300 0.100 0.000 1.050 489 D CA 0.405 54.483 54.000 0.131 0.000 0.856 489 D CB 0.164 41.023 40.800 0.099 0.000 0.922 489 D HN 0.506 nan 8.370 nan 0.000 0.518 490 K N -0.465 120.000 120.400 0.107 0.000 2.424 490 K HA 0.181 4.501 4.320 0.001 0.000 0.200 490 K C 0.076 176.721 176.600 0.075 0.000 1.279 490 K CA -0.216 56.120 56.287 0.080 0.000 0.918 490 K CB 0.769 33.315 32.500 0.076 0.000 1.287 490 K HN -0.057 nan 8.250 nan 0.000 0.502 491 I N 3.140 123.760 120.570 0.084 0.000 2.474 491 I HA 0.095 4.266 4.170 0.001 0.000 0.287 491 I C 0.463 176.621 176.117 0.069 0.000 1.048 491 I CA 0.097 61.436 61.300 0.065 0.000 1.383 491 I CB 0.860 38.890 38.000 0.050 0.000 1.412 491 I HN 0.249 nan 8.210 nan 0.000 0.531 492 T N 1.427 116.016 114.554 0.059 0.000 2.916 492 T HA 0.600 4.951 4.350 0.001 0.000 0.292 492 T C -0.429 174.308 174.700 0.063 0.000 1.055 492 T CA -0.915 61.226 62.100 0.069 0.000 1.009 492 T CB 2.494 71.398 68.868 0.060 0.000 1.118 492 T HN 0.549 nan 8.240 nan 0.000 0.497 493 D N 0.885 121.338 120.400 0.087 0.000 2.511 493 D HA 0.483 5.123 4.640 0.001 0.000 0.276 493 D C 1.634 177.973 176.300 0.065 0.000 1.220 493 D CA -0.453 53.602 54.000 0.093 0.000 1.077 493 D CB 0.105 40.997 40.800 0.152 0.000 1.126 493 D HN 0.666 nan 8.370 nan 0.000 0.583 494 A N -1.310 121.537 122.820 0.044 0.000 2.125 494 A HA -0.132 4.188 4.320 0.001 0.000 0.219 494 A C 1.082 178.499 177.584 -0.278 0.000 1.156 494 A CA 0.970 52.937 52.037 -0.116 0.000 0.671 494 A CB -0.972 17.922 19.000 -0.177 0.000 0.794 494 A HN 0.555 nan 8.150 nan 0.000 0.459 495 Y N -1.157 119.165 120.300 0.036 0.000 2.636 495 Y HA 0.232 4.782 4.550 0.001 0.000 0.260 495 Y C 0.526 176.447 175.900 0.036 0.000 1.177 495 Y CA -0.208 57.917 58.100 0.042 0.000 1.209 495 Y CB -0.400 38.072 38.460 0.021 0.000 1.166 495 Y HN 0.490 nan 8.280 nan 0.000 0.531 496 N N -0.403 118.364 118.700 0.112 0.000 2.776 496 N HA -0.166 4.574 4.740 0.001 0.000 0.249 496 N C -0.589 174.966 175.510 0.075 0.000 1.111 496 N CA 0.327 53.419 53.050 0.069 0.000 0.711 496 N CB -0.595 37.914 38.487 0.036 0.000 1.065 496 N HN 0.158 nan 8.380 nan 0.000 0.556 497 M N -0.237 119.427 119.600 0.107 0.000 2.706 497 M HA 0.453 4.934 4.480 0.001 0.000 0.304 497 M C -2.214 174.153 176.300 0.111 0.000 1.217 497 M CA -2.022 53.331 55.300 0.089 0.000 0.922 497 M CB 0.367 33.019 32.600 0.087 0.000 1.637 497 M HN -0.296 nan 8.290 nan 0.000 0.492 498 P HA 0.027 nan 4.420 nan 0.000 0.263 498 P C -0.617 176.834 177.300 0.252 0.000 1.195 498 P CA 0.062 63.267 63.100 0.176 0.000 0.762 498 P CB 0.156 31.970 31.700 0.191 0.000 0.799 499 Q N 7.059 126.954 119.800 0.159 0.000 2.289 499 Q HA 0.167 4.507 4.340 0.001 0.000 0.273 499 Q C -2.289 173.688 176.000 -0.039 0.000 1.029 499 Q CA -1.880 53.968 55.803 0.075 0.000 0.896 499 Q CB -0.247 28.496 28.738 0.008 0.000 1.182 499 Q HN 0.291 nan 8.270 nan 0.000 0.385 500 P HA 0.124 nan 4.420 nan 0.000 0.271 500 P C -1.091 175.749 177.300 -0.767 0.000 1.216 500 P CA -0.101 62.641 63.100 -0.596 0.000 0.771 500 P CB 0.998 32.441 31.700 -0.427 0.000 0.864 501 T N 2.999 116.859 114.554 -1.156 0.000 2.921 501 T HA 0.500 4.850 4.350 0.001 0.000 0.297 501 T C -0.627 173.352 174.700 -1.203 0.000 1.013 501 T CA -0.143 61.256 62.100 -1.168 0.000 0.990 501 T CB 0.521 68.380 68.868 -1.682 0.000 1.023 501 T HN 0.033 nan 8.240 nan 0.000 0.447 502 F N 1.955 121.596 119.950 -0.516 0.000 2.422 502 F HA 0.534 5.061 4.527 0.001 0.000 0.333 502 F C 0.600 176.306 175.800 -0.157 0.000 1.095 502 F CA -0.923 56.898 58.000 -0.297 0.000 1.038 502 F CB 1.187 40.073 39.000 -0.189 0.000 1.156 502 F HN 0.402 nan 8.300 nan 0.000 0.483 503 D N 3.545 124.077 120.400 0.219 0.000 2.420 503 D HA 0.239 4.880 4.640 0.001 0.000 0.255 503 D C -1.771 174.658 176.300 0.215 0.000 1.185 503 D CA -0.105 54.029 54.000 0.223 0.000 0.904 503 D CB 0.449 41.424 40.800 0.293 0.000 1.102 503 D HN 0.298 nan 8.370 nan 0.000 0.534 504 F N 3.238 123.178 119.950 -0.017 0.000 2.581 504 F HA 0.577 5.104 4.527 0.001 0.000 0.311 504 F C -1.148 174.542 175.800 -0.184 0.000 1.113 504 F CA -0.602 57.320 58.000 -0.130 0.000 0.935 504 F CB 1.429 40.290 39.000 -0.232 0.000 1.232 504 F HN 0.040 nan 8.300 nan 0.000 0.445 505 R N 4.500 124.526 120.500 -0.789 0.000 2.651 505 R HA 0.327 4.667 4.340 0.001 0.000 0.278 505 R C -1.620 174.096 176.300 -0.974 0.000 1.010 505 R CA -0.958 54.760 56.100 -0.637 0.000 0.896 505 R CB 1.796 31.930 30.300 -0.277 0.000 1.211 505 R HN 0.573 nan 8.270 nan 0.000 0.456 506 F N 3.164 122.894 119.950 -0.367 0.000 2.590 506 F HA 0.083 4.610 4.527 0.001 0.000 0.389 506 F C -1.306 174.367 175.800 -0.211 0.000 1.049 506 F CA -0.830 57.035 58.000 -0.226 0.000 1.199 506 F CB -0.295 38.686 39.000 -0.032 0.000 1.058 506 F HN 0.125 nan 8.300 nan 0.000 0.556 507 P HA 0.039 nan 4.420 nan 0.000 0.262 507 P C -0.383 176.925 177.300 0.013 0.000 1.182 507 P CA -0.040 63.035 63.100 -0.042 0.000 0.761 507 P CB 0.401 32.095 31.700 -0.011 0.000 0.795 508 A N 3.186 126.001 122.820 -0.008 0.000 2.492 508 A HA 0.497 4.817 4.320 0.001 0.000 0.236 508 A C 1.132 178.729 177.584 0.021 0.000 1.078 508 A CA 1.022 53.062 52.037 0.005 0.000 0.773 508 A CB -0.926 18.070 19.000 -0.006 0.000 1.023 508 A HN 0.854 nan 8.150 nan 0.000 0.504 509 G N 0.004 108.820 108.800 0.027 0.000 2.445 509 G HA2 -0.186 3.775 3.960 0.001 0.000 0.212 509 G HA3 -0.186 3.775 3.960 0.001 0.000 0.212 509 G C 0.868 175.799 174.900 0.052 0.000 1.217 509 G CA 0.578 45.700 45.100 0.037 0.000 1.002 509 G HN 0.963 nan 8.290 nan 0.000 0.574 510 R N -0.339 120.199 120.500 0.063 0.000 2.096 510 R HA -0.103 4.237 4.340 0.001 0.000 0.240 510 R C 2.844 179.203 176.300 0.097 0.000 1.139 510 R CA 2.850 58.998 56.100 0.080 0.000 0.952 510 R CB -0.948 29.403 30.300 0.086 0.000 0.854 510 R HN 0.627 nan 8.270 nan 0.000 0.436 511 T N 0.022 114.637 114.554 0.102 0.000 2.665 511 T HA -0.160 4.191 4.350 0.001 0.000 0.268 511 T C 1.927 176.680 174.700 0.089 0.000 1.035 511 T CA 1.926 64.100 62.100 0.122 0.000 1.151 511 T CB -0.222 68.735 68.868 0.149 0.000 0.862 511 T HN 0.283 nan 8.240 nan 0.000 0.438 512 S N 0.367 116.105 115.700 0.063 0.000 2.371 512 S HA -0.035 4.436 4.470 0.001 0.000 0.224 512 S C 2.035 176.650 174.600 0.026 0.000 1.029 512 S CA 1.060 59.271 58.200 0.019 0.000 0.978 512 S CB -0.187 63.017 63.200 0.006 0.000 0.833 512 S HN 0.522 nan 8.310 nan 0.000 0.466 513 K N 1.280 121.710 120.400 0.051 0.000 2.057 513 K HA -0.096 4.225 4.320 0.001 0.000 0.207 513 K C 1.878 178.539 176.600 0.102 0.000 1.049 513 K CA 1.369 57.695 56.287 0.066 0.000 0.931 513 K CB -0.085 32.456 32.500 0.069 0.000 0.714 513 K HN 0.337 nan 8.250 nan 0.000 0.440 514 E N -0.186 120.097 120.200 0.138 0.000 2.150 514 E HA -0.141 4.209 4.350 0.001 0.000 0.193 514 E C 1.911 178.604 176.600 0.155 0.000 0.985 514 E CA 0.811 57.348 56.400 0.228 0.000 0.814 514 E CB -0.018 29.843 29.700 0.269 0.000 0.752 514 E HN 0.450 nan 8.360 nan 0.000 0.466 515 A N 1.309 124.187 122.820 0.097 0.000 1.873 515 A HA -0.217 4.103 4.320 0.001 0.000 0.215 515 A C 2.071 179.721 177.584 0.109 0.000 1.186 515 A CA 1.542 53.631 52.037 0.086 0.000 0.616 515 A CB -0.321 18.710 19.000 0.051 0.000 0.823 515 A HN 0.082 nan 8.150 nan 0.000 0.442 516 E N 0.678 120.937 120.200 0.098 0.000 2.072 516 E HA -0.158 4.192 4.350 0.001 0.000 0.191 516 E C 1.321 177.903 176.600 -0.031 0.000 0.985 516 E CA 1.534 57.981 56.400 0.078 0.000 0.801 516 E CB -0.340 29.388 29.700 0.046 0.000 0.750 516 E HN 0.524 nan 8.360 nan 0.000 0.452 517 D N -0.370 120.017 120.400 -0.021 0.000 2.218 517 D HA -0.152 4.488 4.640 0.001 0.000 0.204 517 D C 1.897 177.961 176.300 -0.392 0.000 0.976 517 D CA 0.779 54.758 54.000 -0.035 0.000 0.853 517 D CB -0.246 40.670 40.800 0.195 0.000 0.939 517 D HN 0.307 nan 8.370 nan 0.000 0.481 518 M N -0.188 118.974 119.600 -0.729 0.000 2.064 518 M HA -0.194 4.286 4.480 0.001 0.000 0.260 518 M C 2.117 177.988 176.300 -0.715 0.000 1.073 518 M CA 1.218 55.746 55.300 -1.286 0.000 1.124 518 M CB -0.034 32.042 32.600 -0.874 0.000 1.326 518 M HN -0.055 nan 8.290 nan 0.000 0.410 519 M N 0.410 119.706 119.600 -0.507 0.000 2.089 519 M HA -0.216 4.264 4.480 0.001 0.000 0.257 519 M C 1.769 177.839 176.300 -0.383 0.000 1.071 519 M CA 2.550 57.551 55.300 -0.498 0.000 1.096 519 M CB -1.033 31.334 32.600 -0.387 0.000 1.330 519 M HN 0.304 nan 8.290 nan 0.000 0.403 520 T N -0.130 114.273 114.554 -0.252 0.000 2.746 520 T HA -0.153 4.197 4.350 0.001 0.000 0.267 520 T C 1.471 176.094 174.700 -0.128 0.000 1.039 520 T CA 1.710 63.721 62.100 -0.149 0.000 1.142 520 T CB -0.577 68.252 68.868 -0.064 0.000 0.866 520 T HN 0.538 nan 8.240 nan 0.000 0.444 521 D N 0.610 120.937 120.400 -0.121 0.000 2.123 521 D HA -0.092 4.549 4.640 0.001 0.000 0.196 521 D C 2.042 178.319 176.300 -0.038 0.000 0.992 521 D CA 0.976 55.022 54.000 0.076 0.000 0.833 521 D CB -0.213 40.787 40.800 0.333 0.000 0.954 521 D HN 0.289 nan 8.370 nan 0.000 0.455 522 M N -0.549 118.744 119.600 -0.512 0.000 2.117 522 M HA -0.170 4.310 4.480 0.001 0.000 0.262 522 M C 2.031 178.010 176.300 -0.536 0.000 1.065 522 M CA 1.309 56.012 55.300 -0.996 0.000 1.114 522 M CB -0.145 31.634 32.600 -1.369 0.000 1.361 522 M HN 0.197 nan 8.290 nan 0.000 0.408 523 C N -0.352 118.742 119.300 -0.342 0.000 2.413 523 C HA -0.127 4.333 4.460 0.001 0.000 0.276 523 C C 2.667 177.553 174.990 -0.172 0.000 1.248 523 C CA 0.909 59.838 59.018 -0.149 0.000 1.742 523 C CB -1.067 26.641 27.740 -0.054 0.000 2.017 523 C HN 0.494 nan 8.230 nan 0.000 0.481 524 V N 0.461 120.308 119.914 -0.111 0.000 2.379 524 V HA -0.240 3.880 4.120 0.001 0.000 0.245 524 V C 2.362 178.435 176.094 -0.036 0.000 1.044 524 V CA 2.170 64.438 62.300 -0.052 0.000 1.036 524 V CB -0.608 31.238 31.823 0.039 0.000 0.664 524 V HN 0.604 nan 8.190 nan 0.000 0.453 525 M N 0.613 120.231 119.600 0.031 0.000 2.193 525 M HA -0.119 4.361 4.480 0.001 0.000 0.265 525 M C 2.431 178.634 176.300 -0.163 0.000 1.071 525 M CA 2.066 57.472 55.300 0.178 0.000 1.140 525 M CB -0.144 32.747 32.600 0.486 0.000 1.369 525 M HN 0.509 nan 8.290 nan 0.000 0.423 526 S N 0.619 115.885 115.700 -0.723 0.000 2.419 526 S HA -0.047 4.423 4.470 0.001 0.000 0.233 526 S C 1.924 176.148 174.600 -0.626 0.000 1.016 526 S CA 0.958 58.294 58.200 -1.440 0.000 0.974 526 S CB -0.776 61.335 63.200 -1.815 0.000 0.786 526 S HN 0.569 nan 8.310 nan 0.000 0.492 527 A N 1.797 124.355 122.820 -0.438 0.000 2.067 527 A HA 0.061 4.381 4.320 0.001 0.000 0.219 527 A C 2.167 179.631 177.584 -0.199 0.000 1.158 527 A CA 1.137 52.967 52.037 -0.345 0.000 0.661 527 A CB -0.484 18.332 19.000 -0.305 0.000 0.801 527 A HN 0.616 nan 8.150 nan 0.000 0.452 528 K N -0.668 119.657 120.400 -0.124 0.000 2.283 528 K HA 0.023 4.343 4.320 0.001 0.000 0.202 528 K C 1.070 177.667 176.600 -0.005 0.000 1.048 528 K CA 0.768 57.026 56.287 -0.049 0.000 0.948 528 K CB 0.003 32.508 32.500 0.008 0.000 0.742 528 K HN 0.394 nan 8.250 nan 0.000 0.458 529 I N -0.927 119.660 120.570 0.029 0.000 3.616 529 I HA 0.163 4.333 4.170 0.001 0.000 0.296 529 I C 1.041 177.185 176.117 0.044 0.000 1.226 529 I CA 0.505 61.870 61.300 0.108 0.000 1.394 529 I CB 0.372 38.571 38.000 0.332 0.000 1.171 529 I HN 0.102 nan 8.210 nan 0.000 0.442 530 G N -0.565 108.211 108.800 -0.041 0.000 2.313 530 G HA2 0.410 4.370 3.960 0.001 0.000 0.296 530 G HA3 0.410 4.370 3.960 0.001 0.000 0.296 530 G C -0.573 174.207 174.900 -0.201 0.000 1.356 530 G CA -0.223 44.828 45.100 -0.083 0.000 0.833 530 G HN 0.237 nan 8.290 nan 0.000 0.552 531 G N -0.953 107.725 108.800 -0.204 0.000 2.569 531 G HA2 0.523 4.483 3.960 0.001 0.000 0.249 531 G HA3 0.523 4.483 3.960 0.001 0.000 0.249 531 G C -0.073 174.698 174.900 -0.215 0.000 1.216 531 G CA -0.395 44.513 45.100 -0.321 0.000 0.845 531 G HN 0.484 nan 8.290 nan 0.000 0.568 532 F N -0.334 119.526 119.950 -0.150 0.000 2.629 532 F HA 0.082 4.609 4.527 0.001 0.000 0.377 532 F C 0.821 176.562 175.800 -0.098 0.000 1.101 532 F CA -0.665 57.242 58.000 -0.155 0.000 1.301 532 F CB 0.377 39.278 39.000 -0.164 0.000 1.062 532 F HN 0.205 nan 8.300 nan 0.000 0.583 533 L N 6.520 127.810 121.223 0.112 0.000 2.361 533 L HA 0.403 4.743 4.340 0.001 0.000 0.278 533 L C -2.389 174.504 176.870 0.039 0.000 1.113 533 L CA -1.780 53.092 54.840 0.053 0.000 0.849 533 L CB 0.164 42.242 42.059 0.032 0.000 1.155 533 L HN 0.275 nan 8.230 nan 0.000 0.452 534 P HA 0.197 nan 4.420 nan 0.000 0.262 534 P C 0.599 177.907 177.300 0.014 0.000 1.182 534 P CA 1.036 64.148 63.100 0.021 0.000 0.761 534 P CB 0.701 32.412 31.700 0.018 0.000 0.795 535 G N 2.061 110.864 108.800 0.004 0.000 2.195 535 G HA2 -0.223 3.737 3.960 0.001 0.000 0.246 535 G HA3 -0.223 3.737 3.960 0.001 0.000 0.246 535 G C 0.409 175.327 174.900 0.029 0.000 0.984 535 G CA 0.136 45.244 45.100 0.014 0.000 0.633 535 G HN 0.518 nan 8.290 nan 0.000 0.525 536 S N 0.825 116.526 115.700 0.001 0.000 2.327 536 S HA 0.525 4.995 4.470 0.001 0.000 0.203 536 S C 0.393 174.891 174.600 -0.170 0.000 1.326 536 S CA -0.554 57.642 58.200 -0.006 0.000 1.248 536 S CB 0.318 63.508 63.200 -0.018 0.000 1.199 536 S HN 0.460 nan 8.310 nan 0.000 0.422 537 L N 2.478 123.592 121.223 -0.183 0.000 2.453 537 L HA 0.377 4.718 4.340 0.001 0.000 0.261 537 L C -2.055 174.533 176.870 -0.470 0.000 1.179 537 L CA -2.300 52.311 54.840 -0.382 0.000 0.813 537 L CB 0.024 41.925 42.059 -0.264 0.000 1.110 537 L HN 0.086 nan 8.230 nan 0.000 0.466 538 P HA -0.002 nan 4.420 nan 0.000 0.263 538 P C -1.392 175.688 177.300 -0.366 0.000 1.195 538 P CA 0.161 62.891 63.100 -0.616 0.000 0.762 538 P CB 0.437 31.672 31.700 -0.775 0.000 0.799 539 Q N 1.573 121.198 119.800 -0.292 0.000 2.479 539 Q HA 0.454 4.794 4.340 0.001 0.000 0.276 539 Q C -1.548 174.318 176.000 -0.223 0.000 0.989 539 Q CA -0.846 54.855 55.803 -0.170 0.000 0.864 539 Q CB 0.526 29.221 28.738 -0.071 0.000 1.444 539 Q HN 0.079 nan 8.270 nan 0.000 0.388 540 F N 1.691 121.557 119.950 -0.140 0.000 2.412 540 F HA 0.307 4.834 4.527 0.001 0.000 0.348 540 F C 0.539 176.242 175.800 -0.161 0.000 1.102 540 F CA -0.280 57.627 58.000 -0.154 0.000 1.196 540 F CB 0.969 39.877 39.000 -0.153 0.000 1.144 540 F HN 0.450 nan 8.300 nan 0.000 0.541 541 M N 1.692 121.260 119.600 -0.053 0.000 2.227 541 M HA 0.164 4.644 4.480 0.001 0.000 0.316 541 M C 0.104 176.349 176.300 -0.092 0.000 1.144 541 M CA -0.893 54.288 55.300 -0.198 0.000 1.121 541 M CB 0.305 32.651 32.600 -0.425 0.000 1.440 541 M HN 0.440 nan 8.290 nan 0.000 0.473 542 E N 1.894 122.013 120.200 -0.136 0.000 2.452 542 E HA 0.110 4.460 4.350 0.001 0.000 0.261 542 E C -2.225 174.351 176.600 -0.040 0.000 0.987 542 E CA -0.842 55.515 56.400 -0.071 0.000 0.926 542 E CB -0.294 29.348 29.700 -0.096 0.000 0.934 542 E HN 0.241 nan 8.360 nan 0.000 0.452 543 P HA -0.012 nan 4.420 nan 0.000 0.261 543 P C 0.639 177.859 177.300 -0.134 0.000 1.183 543 P CA 1.233 64.354 63.100 0.035 0.000 0.761 543 P CB 0.580 32.295 31.700 0.026 0.000 0.785 544 G N 2.685 111.409 108.800 -0.126 0.000 2.225 544 G HA2 -0.326 3.635 3.960 0.001 0.000 0.254 544 G HA3 -0.326 3.635 3.960 0.001 0.000 0.254 544 G C 0.773 175.625 174.900 -0.082 0.000 0.988 544 G CA 0.188 45.178 45.100 -0.184 0.000 0.625 544 G HN 0.538 nan 8.290 nan 0.000 0.527 545 L N 1.162 122.347 121.223 -0.064 0.000 2.187 545 L HA 0.132 4.473 4.340 0.001 0.000 0.213 545 L C 2.751 179.653 176.870 0.054 0.000 1.100 545 L CA 2.607 57.438 54.840 -0.014 0.000 0.765 545 L CB -0.544 41.439 42.059 -0.126 0.000 0.904 545 L HN 0.568 nan 8.230 nan 0.000 0.437 546 V N -0.444 119.472 119.914 0.003 0.000 2.667 546 V HA -0.092 4.028 4.120 0.001 0.000 0.252 546 V C 1.617 177.676 176.094 -0.058 0.000 1.065 546 V CA 1.001 63.302 62.300 0.001 0.000 1.083 546 V CB -0.214 31.603 31.823 -0.010 0.000 0.692 546 V HN 0.493 nan 8.190 nan 0.000 0.468 547 L N 0.119 121.357 121.223 0.025 0.000 3.598 547 L HA -0.227 4.114 4.340 0.001 0.000 0.422 547 L C 0.230 177.271 176.870 0.286 0.000 1.262 547 L CA 0.811 55.725 54.840 0.125 0.000 0.889 547 L CB -2.464 39.698 42.059 0.172 0.000 1.857 547 L HN 0.567 nan 8.230 nan 0.000 0.858 548 H N -0.647 118.532 119.070 0.182 0.000 2.467 548 H HA 0.288 4.844 4.556 0.001 0.000 0.275 548 H C 0.524 175.975 175.328 0.205 0.000 1.131 548 H CA -1.016 55.170 56.048 0.231 0.000 0.989 548 H CB 0.681 30.617 29.762 0.290 0.000 1.696 548 H HN 0.215 nan 8.280 nan 0.000 0.574 549 L N 1.762 123.122 121.223 0.229 0.000 2.540 549 L HA 0.238 4.579 4.340 0.001 0.000 0.276 549 L C 0.552 177.546 176.870 0.206 0.000 1.212 549 L CA 0.723 55.647 54.840 0.139 0.000 0.893 549 L CB 0.418 42.517 42.059 0.065 0.000 1.138 549 L HN 0.271 nan 8.230 nan 0.000 0.491 550 G N 1.761 110.690 108.800 0.215 0.000 2.680 550 G HA2 0.548 4.508 3.960 0.001 0.000 0.290 550 G HA3 0.548 4.508 3.960 0.001 0.000 0.290 550 G C 0.250 175.254 174.900 0.173 0.000 1.355 550 G CA -0.311 44.946 45.100 0.262 0.000 0.903 550 G HN 1.346 nan 8.290 nan 0.000 0.474 551 G N -1.112 107.757 108.800 0.115 0.000 2.176 551 G HA2 -0.231 3.730 3.960 0.001 0.000 0.253 551 G HA3 -0.231 3.730 3.960 0.001 0.000 0.253 551 G C 1.379 176.342 174.900 0.105 0.000 0.979 551 G CA 1.459 46.638 45.100 0.131 0.000 0.641 551 G HN 1.925 nan 8.290 nan 0.000 0.530 552 T N -1.756 112.804 114.554 0.011 0.000 3.035 552 T HA 0.165 4.515 4.350 0.001 0.000 0.268 552 T C 1.054 175.808 174.700 0.089 0.000 1.109 552 T CA 1.849 63.982 62.100 0.055 0.000 1.119 552 T CB -0.309 68.590 68.868 0.052 0.000 0.900 552 T HN 1.496 nan 8.240 nan 0.000 0.503 553 H N -0.332 118.808 119.070 0.116 0.000 2.823 553 H HA 0.427 4.983 4.556 0.001 0.000 0.222 553 H C -0.079 175.286 175.328 0.062 0.000 1.414 553 H CA -1.352 54.738 56.048 0.071 0.000 1.289 553 H CB -0.496 29.273 29.762 0.011 0.000 1.970 553 H HN 0.343 nan 8.280 nan 0.000 0.517 554 R N 0.846 121.434 120.500 0.147 0.000 2.643 554 R HA 0.223 4.564 4.340 0.001 0.000 0.270 554 R C -0.404 175.957 176.300 0.101 0.000 1.061 554 R CA -0.530 55.631 56.100 0.101 0.000 1.107 554 R CB 0.890 31.232 30.300 0.070 0.000 0.999 554 R HN 0.493 nan 8.270 nan 0.000 0.460 555 M N 1.872 121.510 119.600 0.063 0.000 2.274 555 M HA 0.435 4.916 4.480 0.001 0.000 0.344 555 M C -0.437 175.856 176.300 -0.011 0.000 1.161 555 M CA 0.272 55.583 55.300 0.017 0.000 1.126 555 M CB 1.532 34.119 32.600 -0.022 0.000 1.522 555 M HN 0.971 nan 8.290 nan 0.000 0.461 556 G N 2.082 110.879 108.800 -0.004 0.000 2.550 556 G HA2 0.395 4.356 3.960 0.001 0.000 0.293 556 G HA3 0.395 4.356 3.960 0.001 0.000 0.293 556 G C -0.893 173.985 174.900 -0.036 0.000 1.402 556 G CA -0.691 44.352 45.100 -0.094 0.000 0.784 556 G HN 0.660 nan 8.290 nan 0.000 0.482 557 F N -0.025 120.027 119.950 0.169 0.000 2.163 557 F HA 0.231 4.759 4.527 0.001 0.000 0.297 557 F C 1.228 177.159 175.800 0.218 0.000 1.094 557 F CA 1.122 59.222 58.000 0.167 0.000 1.290 557 F CB 0.516 39.571 39.000 0.091 0.000 1.017 557 F HN 0.284 nan 8.300 nan 0.000 0.483 558 D N -0.456 120.099 120.400 0.258 0.000 2.788 558 D HA 0.046 4.686 4.640 0.001 0.000 0.247 558 D C 0.519 176.666 176.300 -0.256 0.000 1.236 558 D CA -0.090 53.908 54.000 -0.003 0.000 0.898 558 D CB 1.767 42.598 40.800 0.053 0.000 1.401 558 D HN 0.203 nan 8.370 nan 0.000 0.549 559 E N 3.395 123.150 120.200 -0.741 0.000 2.085 559 E HA -0.211 4.139 4.350 0.001 0.000 0.194 559 E C 1.412 177.839 176.600 -0.289 0.000 0.994 559 E CA 1.180 57.111 56.400 -0.781 0.000 0.801 559 E CB 0.364 29.448 29.700 -1.026 0.000 0.743 559 E HN 0.386 nan 8.360 nan 0.000 0.453 560 K N 0.269 120.547 120.400 -0.203 0.000 2.099 560 K HA -0.121 4.199 4.320 0.001 0.000 0.203 560 K C 2.177 178.746 176.600 -0.052 0.000 1.047 560 K CA 1.091 57.323 56.287 -0.092 0.000 0.963 560 K CB -0.008 32.453 32.500 -0.066 0.000 0.759 560 K HN 0.026 nan 8.250 nan 0.000 0.451 561 E N 0.283 120.457 120.200 -0.044 0.000 2.110 561 E HA -0.169 4.182 4.350 0.001 0.000 0.193 561 E C 0.471 177.072 176.600 0.000 0.000 0.988 561 E CA 1.471 57.868 56.400 -0.004 0.000 0.804 561 E CB 0.249 29.959 29.700 0.018 0.000 0.745 561 E HN 0.301 nan 8.360 nan 0.000 0.458 562 D N -0.255 120.136 120.400 -0.015 0.000 2.395 562 D HA 0.058 4.698 4.640 0.001 0.000 0.213 562 D C -0.652 175.585 176.300 -0.104 0.000 1.110 562 D CA -0.002 53.984 54.000 -0.023 0.000 0.835 562 D CB 0.062 40.878 40.800 0.027 0.000 0.965 562 D HN 0.190 nan 8.370 nan 0.000 0.505 563 N N 0.587 119.223 118.700 -0.107 0.000 2.696 563 N HA -0.180 4.561 4.740 0.001 0.000 0.256 563 N C -0.230 175.185 175.510 -0.159 0.000 1.031 563 N CA 0.469 53.426 53.050 -0.154 0.000 0.730 563 N CB -1.490 36.785 38.487 -0.353 0.000 0.894 563 N HN 0.404 nan 8.380 nan 0.000 0.544 564 C N -3.629 115.652 119.300 -0.031 0.000 3.259 564 C HA 0.755 5.216 4.460 0.001 0.000 0.328 564 C C 1.473 176.598 174.990 0.225 0.000 1.425 564 C CA -0.695 58.373 59.018 0.082 0.000 1.465 564 C CB 1.552 29.375 27.740 0.139 0.000 1.890 564 C HN 0.471 nan 8.230 nan 0.000 0.450 565 C N 0.178 119.651 119.300 0.289 0.000 2.800 565 C HA 0.496 4.956 4.460 0.001 0.000 0.379 565 C C 0.692 175.821 174.990 0.232 0.000 1.304 565 C CA 0.636 59.831 59.018 0.296 0.000 1.960 565 C CB -0.264 27.579 27.740 0.172 0.000 2.599 565 C HN 0.924 nan 8.230 nan 0.000 0.578 566 V N 0.996 120.916 119.914 0.010 0.000 3.040 566 V HA 0.693 4.814 4.120 0.001 0.000 0.312 566 V C -0.872 174.875 176.094 -0.579 0.000 1.115 566 V CA -0.692 61.354 62.300 -0.423 0.000 0.998 566 V CB 1.592 33.283 31.823 -0.220 0.000 1.042 566 V HN 0.397 nan 8.190 nan 0.000 0.433 567 N N 0.499 118.679 118.700 -0.867 0.000 2.476 567 N HA 0.274 5.015 4.740 0.001 0.000 0.287 567 N C 1.029 176.381 175.510 -0.262 0.000 1.262 567 N CA 0.220 52.973 53.050 -0.494 0.000 0.980 567 N CB 0.296 38.480 38.487 -0.504 0.000 1.163 567 N HN 0.958 nan 8.380 nan 0.000 0.592 568 T N -4.439 110.008 114.554 -0.178 0.000 3.098 568 T HA -0.021 4.329 4.350 0.001 0.000 0.266 568 T C 0.050 174.660 174.700 -0.150 0.000 1.145 568 T CA 0.696 62.696 62.100 -0.166 0.000 1.092 568 T CB -0.428 68.361 68.868 -0.132 0.000 0.908 568 T HN 0.477 nan 8.240 nan 0.000 0.526 569 D N 1.187 121.484 120.400 -0.172 0.000 2.336 569 D HA 0.196 4.837 4.640 0.001 0.000 0.228 569 D C 0.588 176.869 176.300 -0.031 0.000 1.120 569 D CA 0.049 53.968 54.000 -0.135 0.000 0.839 569 D CB 0.032 40.647 40.800 -0.308 0.000 0.932 569 D HN 0.326 nan 8.370 nan 0.000 0.509 570 S N 0.306 115.959 115.700 -0.078 0.000 3.402 570 S HA -0.284 4.186 4.470 0.001 0.000 0.329 570 S C 0.651 175.206 174.600 -0.075 0.000 1.194 570 S CA 0.602 58.784 58.200 -0.030 0.000 0.951 570 S CB -1.312 61.945 63.200 0.096 0.000 0.975 570 S HN 0.501 nan 8.310 nan 0.000 0.574 571 R N 1.115 121.456 120.500 -0.264 0.000 2.390 571 R HA 0.415 4.755 4.340 0.001 0.000 0.291 571 R C -0.080 175.907 176.300 -0.522 0.000 1.070 571 R CA -0.384 55.386 56.100 -0.549 0.000 1.014 571 R CB 0.610 30.531 30.300 -0.632 0.000 1.007 571 R HN 0.125 nan 8.270 nan 0.000 0.466 572 V N 6.373 126.023 119.914 -0.440 0.000 2.485 572 V HA -0.002 4.118 4.120 0.001 0.000 0.287 572 V C 0.165 176.208 176.094 -0.086 0.000 1.022 572 V CA 0.215 62.346 62.300 -0.281 0.000 1.067 572 V CB -0.210 31.420 31.823 -0.322 0.000 0.967 572 V HN 0.570 nan 8.190 nan 0.000 0.479 573 F N 4.064 124.045 119.950 0.052 0.000 2.623 573 F HA 0.359 4.886 4.527 0.001 0.000 0.386 573 F C 1.587 177.515 175.800 0.215 0.000 1.068 573 F CA 1.668 59.727 58.000 0.098 0.000 1.265 573 F CB -0.072 38.978 39.000 0.083 0.000 1.026 573 F HN 0.793 nan 8.300 nan 0.000 0.568 574 G N 2.218 111.203 108.800 0.307 0.000 2.241 574 G HA2 -0.295 3.665 3.960 0.001 0.000 0.244 574 G HA3 -0.295 3.665 3.960 0.001 0.000 0.244 574 G C -0.139 174.733 174.900 -0.045 0.000 0.998 574 G CA -0.466 44.710 45.100 0.127 0.000 0.621 574 G HN 0.446 nan 8.290 nan 0.000 0.519 575 F N 1.303 121.272 119.950 0.032 0.000 2.426 575 F HA 0.572 5.099 4.527 0.001 0.000 0.348 575 F C 1.392 177.176 175.800 -0.027 0.000 1.124 575 F CA -0.768 57.238 58.000 0.010 0.000 1.008 575 F CB 1.782 40.787 39.000 0.008 0.000 1.139 575 F HN -0.085 nan 8.300 nan 0.000 0.452 576 K N 1.240 121.729 120.400 0.149 0.000 2.147 576 K HA -0.123 4.198 4.320 0.001 0.000 0.205 576 K C 0.790 177.589 176.600 0.332 0.000 1.049 576 K CA 1.404 57.824 56.287 0.221 0.000 0.936 576 K CB -0.022 32.620 32.500 0.238 0.000 0.722 576 K HN 0.549 nan 8.250 nan 0.000 0.446 577 N N 0.162 119.016 118.700 0.257 0.000 2.377 577 N HA 0.054 4.795 4.740 0.001 0.000 0.259 577 N C -0.958 174.635 175.510 0.138 0.000 1.332 577 N CA -0.323 52.894 53.050 0.279 0.000 0.877 577 N CB 0.247 38.935 38.487 0.337 0.000 1.299 577 N HN -0.030 nan 8.380 nan 0.000 0.501 578 L N 0.652 121.757 121.223 -0.197 0.000 2.349 578 L HA 0.683 5.023 4.340 0.001 0.000 0.278 578 L C -1.849 174.651 176.870 -0.616 0.000 0.996 578 L CA -0.664 54.038 54.840 -0.231 0.000 0.825 578 L CB 0.852 42.764 42.059 -0.246 0.000 1.243 578 L HN -0.026 nan 8.230 nan 0.000 0.412 579 F N 5.161 125.019 119.950 -0.152 0.000 2.520 579 F HA 0.621 5.148 4.527 0.001 0.000 0.322 579 F C -0.490 175.146 175.800 -0.274 0.000 1.103 579 F CA -0.707 57.180 58.000 -0.189 0.000 0.926 579 F CB 1.750 40.659 39.000 -0.152 0.000 1.154 579 F HN 0.193 nan 8.300 nan 0.000 0.453 580 L N 2.617 123.772 121.223 -0.113 0.000 2.307 580 L HA 0.827 5.168 4.340 0.001 0.000 0.284 580 L C 0.223 177.070 176.870 -0.039 0.000 1.023 580 L CA -0.777 53.924 54.840 -0.231 0.000 0.810 580 L CB 1.531 43.276 42.059 -0.522 0.000 1.231 580 L HN 0.781 nan 8.230 nan 0.000 0.423 581 G N 0.789 109.587 108.800 -0.005 0.000 2.495 581 G HA2 0.775 4.736 3.960 0.001 0.000 0.318 581 G HA3 0.775 4.736 3.960 0.001 0.000 0.318 581 G C -0.371 174.637 174.900 0.180 0.000 1.257 581 G CA -0.248 44.959 45.100 0.177 0.000 0.962 581 G HN 0.960 nan 8.290 nan 0.000 0.483 582 G N -0.876 108.038 108.800 0.190 0.000 2.347 582 G HA2 0.067 4.027 3.960 0.001 0.000 0.341 582 G HA3 0.067 4.027 3.960 0.001 0.000 0.341 582 G C 0.749 175.719 174.900 0.117 0.000 1.287 582 G CA 0.060 45.254 45.100 0.157 0.000 0.984 582 G HN 1.056 nan 8.290 nan 0.000 0.526 583 C N 0.627 119.968 119.300 0.068 0.000 2.419 583 C HA 0.170 4.631 4.460 0.001 0.000 0.281 583 C C 3.166 178.149 174.990 -0.011 0.000 1.336 583 C CA 1.928 60.967 59.018 0.036 0.000 1.770 583 C CB -1.412 26.380 27.740 0.087 0.000 1.929 583 C HN 1.353 nan 8.230 nan 0.000 0.509 584 G N 1.476 110.180 108.800 -0.161 0.000 2.550 584 G HA2 -0.312 3.648 3.960 0.001 0.000 0.222 584 G HA3 -0.312 3.648 3.960 0.001 0.000 0.222 584 G C 1.384 176.005 174.900 -0.465 0.000 1.113 584 G CA 1.367 46.081 45.100 -0.644 0.000 0.748 584 G HN 0.566 nan 8.290 nan 0.000 0.585 585 N N 0.324 118.968 118.700 -0.094 0.000 2.309 585 N HA -0.001 4.740 4.740 0.001 0.000 0.182 585 N C 0.967 176.510 175.510 0.055 0.000 1.018 585 N CA 0.265 53.372 53.050 0.096 0.000 0.876 585 N CB -0.089 38.481 38.487 0.139 0.000 0.972 585 N HN 0.340 nan 8.380 nan 0.000 0.434 586 I N 2.647 123.242 120.570 0.043 0.000 2.452 586 I HA 0.054 4.225 4.170 0.001 0.000 0.287 586 I C -1.395 174.808 176.117 0.145 0.000 1.079 586 I CA -1.125 60.216 61.300 0.068 0.000 1.387 586 I CB 1.375 39.356 38.000 -0.031 0.000 1.404 586 I HN -0.062 nan 8.210 nan 0.000 0.522 587 P HA 0.067 nan 4.420 nan 0.000 0.267 587 P C 0.219 177.610 177.300 0.151 0.000 1.289 587 P CA 0.232 63.403 63.100 0.118 0.000 0.866 587 P CB 0.208 31.940 31.700 0.053 0.000 1.309 588 T N -2.306 112.370 114.554 0.203 0.000 2.936 588 T HA 0.699 5.049 4.350 0.001 0.000 0.282 588 T C 0.093 174.942 174.700 0.249 0.000 1.003 588 T CA -0.922 61.292 62.100 0.190 0.000 1.005 588 T CB 1.356 70.311 68.868 0.145 0.000 1.097 588 T HN 0.031 nan 8.240 nan 0.000 0.532 589 A N 1.869 124.778 122.820 0.147 0.000 2.279 589 A HA 0.606 4.926 4.320 0.001 0.000 0.306 589 A C -0.650 176.946 177.584 0.020 0.000 1.300 589 A CA -0.874 51.214 52.037 0.084 0.000 0.925 589 A CB -0.872 18.186 19.000 0.097 0.000 1.152 589 A HN 0.856 nan 8.150 nan 0.000 0.544 590 Y N -0.100 120.146 120.300 -0.090 0.000 2.446 590 Y HA 0.719 5.269 4.550 0.001 0.000 0.345 590 Y C 0.748 176.563 175.900 -0.141 0.000 0.984 590 Y CA -0.779 57.106 58.100 -0.359 0.000 1.058 590 Y CB 1.447 39.469 38.460 -0.730 0.000 1.220 590 Y HN 0.361 nan 8.280 nan 0.000 0.455 591 G N 0.906 109.663 108.800 -0.072 0.000 2.608 591 G HA2 0.360 4.320 3.960 0.001 0.000 0.210 591 G HA3 0.360 4.320 3.960 0.001 0.000 0.210 591 G C 0.491 175.492 174.900 0.168 0.000 1.139 591 G CA 0.185 45.410 45.100 0.208 0.000 0.812 591 G HN 0.962 nan 8.290 nan 0.000 0.529 592 A N 0.779 123.533 122.820 -0.109 0.000 2.386 592 A HA 0.456 4.776 4.320 0.001 0.000 0.246 592 A C -0.065 177.433 177.584 -0.144 0.000 1.089 592 A CA -0.462 51.385 52.037 -0.317 0.000 0.790 592 A CB 0.029 18.807 19.000 -0.369 0.000 1.042 592 A HN 0.367 nan 8.150 nan 0.000 0.497 593 N N 1.904 120.406 118.700 -0.330 0.000 2.468 593 N HA 0.247 4.987 4.740 0.001 0.000 0.265 593 N C -2.051 173.387 175.510 -0.120 0.000 1.199 593 N CA -1.009 51.818 53.050 -0.372 0.000 0.928 593 N CB 0.416 38.756 38.487 -0.246 0.000 1.059 593 N HN 0.411 nan 8.380 nan 0.000 0.467 594 P HA -0.006 nan 4.420 nan 0.000 0.245 594 P C 0.378 177.614 177.300 -0.105 0.000 1.206 594 P CA 0.603 63.665 63.100 -0.062 0.000 0.781 594 P CB 0.344 31.988 31.700 -0.093 0.000 0.994 595 T N 0.864 115.406 114.554 -0.020 0.000 2.777 595 T HA -0.113 4.237 4.350 0.001 0.000 0.266 595 T C 1.770 176.557 174.700 0.144 0.000 1.040 595 T CA 0.917 63.056 62.100 0.065 0.000 1.141 595 T CB -0.777 68.147 68.868 0.095 0.000 0.868 595 T HN 0.028 nan 8.240 nan 0.000 0.444 596 L N 1.166 122.490 121.223 0.168 0.000 2.046 596 L HA -0.087 4.254 4.340 0.001 0.000 0.208 596 L C 2.498 179.453 176.870 0.141 0.000 1.077 596 L CA 1.729 56.724 54.840 0.258 0.000 0.747 596 L CB -1.110 41.079 42.059 0.216 0.000 0.896 596 L HN 0.190 nan 8.230 nan 0.000 0.432 597 T N -0.162 114.361 114.554 -0.051 0.000 2.684 597 T HA -0.222 4.128 4.350 0.001 0.000 0.267 597 T C 1.902 176.528 174.700 -0.123 0.000 1.036 597 T CA 1.497 63.455 62.100 -0.237 0.000 1.148 597 T CB -0.608 67.668 68.868 -0.986 0.000 0.863 597 T HN 0.538 nan 8.240 nan 0.000 0.436 598 A N 1.249 124.008 122.820 -0.103 0.000 1.933 598 A HA -0.033 4.287 4.320 0.001 0.000 0.218 598 A C 2.308 179.870 177.584 -0.037 0.000 1.175 598 A CA 1.754 53.766 52.037 -0.042 0.000 0.628 598 A CB -0.716 18.279 19.000 -0.008 0.000 0.814 598 A HN 0.530 nan 8.150 nan 0.000 0.444 599 M N -0.311 119.280 119.600 -0.016 0.000 2.117 599 M HA -0.133 4.347 4.480 0.001 0.000 0.262 599 M C 2.063 178.279 176.300 -0.140 0.000 1.065 599 M CA 2.033 57.295 55.300 -0.063 0.000 1.114 599 M CB -0.120 32.468 32.600 -0.020 0.000 1.361 599 M HN 0.377 nan 8.290 nan 0.000 0.408 600 S N 1.041 116.661 115.700 -0.132 0.000 2.382 600 S HA -0.084 4.387 4.470 0.001 0.000 0.228 600 S C 1.757 176.171 174.600 -0.311 0.000 1.027 600 S CA 1.141 59.194 58.200 -0.245 0.000 0.991 600 S CB -0.433 62.580 63.200 -0.311 0.000 0.823 600 S HN 0.501 nan 8.310 nan 0.000 0.469 601 L N 1.088 122.168 121.223 -0.238 0.000 2.046 601 L HA -0.115 4.225 4.340 0.001 0.000 0.208 601 L C 2.806 179.547 176.870 -0.215 0.000 1.077 601 L CA 1.172 55.873 54.840 -0.231 0.000 0.747 601 L CB -0.726 41.268 42.059 -0.108 0.000 0.896 601 L HN 0.331 nan 8.230 nan 0.000 0.432 602 A N 0.264 122.950 122.820 -0.224 0.000 1.933 602 A HA -0.177 4.143 4.320 0.001 0.000 0.218 602 A C 2.201 179.480 177.584 -0.508 0.000 1.175 602 A CA 1.431 53.218 52.037 -0.417 0.000 0.628 602 A CB -0.609 18.101 19.000 -0.484 0.000 0.814 602 A HN 0.354 nan 8.150 nan 0.000 0.444 603 I N -0.594 119.762 120.570 -0.357 0.000 2.226 603 I HA -0.253 3.918 4.170 0.001 0.000 0.245 603 I C 2.517 178.481 176.117 -0.254 0.000 1.100 603 I CA 1.872 62.998 61.300 -0.291 0.000 1.374 603 I CB -0.147 37.695 38.000 -0.264 0.000 1.057 603 I HN 0.380 nan 8.210 nan 0.000 0.413 604 K N 0.245 120.489 120.400 -0.260 0.000 2.155 604 K HA -0.157 4.163 4.320 0.001 0.000 0.203 604 K C 2.285 178.805 176.600 -0.133 0.000 1.052 604 K CA 1.379 57.543 56.287 -0.206 0.000 0.948 604 K CB -0.013 32.325 32.500 -0.270 0.000 0.728 604 K HN 0.109 nan 8.250 nan 0.000 0.448 605 S N -0.075 115.530 115.700 -0.159 0.000 2.368 605 S HA -0.133 4.337 4.470 0.001 0.000 0.224 605 S C 1.944 176.483 174.600 -0.102 0.000 1.029 605 S CA 1.287 59.448 58.200 -0.065 0.000 0.988 605 S CB -0.405 62.802 63.200 0.011 0.000 0.838 605 S HN 0.574 nan 8.310 nan 0.000 0.462 606 C N 1.561 120.719 119.300 -0.237 0.000 2.432 606 C HA 0.061 4.522 4.460 0.001 0.000 0.280 606 C C 2.458 177.383 174.990 -0.108 0.000 1.353 606 C CA 0.456 59.343 59.018 -0.218 0.000 1.766 606 C CB -1.438 26.123 27.740 -0.297 0.000 1.924 606 C HN 0.675 nan 8.230 nan 0.000 0.509 607 E N -0.295 119.862 120.200 -0.071 0.000 2.038 607 E HA -0.270 4.080 4.350 0.001 0.000 0.195 607 E C 1.840 178.462 176.600 0.037 0.000 1.000 607 E CA 1.641 58.029 56.400 -0.020 0.000 0.803 607 E CB -0.351 29.333 29.700 -0.027 0.000 0.750 607 E HN 0.807 nan 8.360 nan 0.000 0.448 608 Y N 1.363 121.642 120.300 -0.035 0.000 2.128 608 Y HA -0.265 4.286 4.550 0.001 0.000 0.284 608 Y C 1.997 177.941 175.900 0.074 0.000 1.154 608 Y CA 1.677 59.798 58.100 0.036 0.000 1.149 608 Y CB -0.095 38.424 38.460 0.099 0.000 0.976 608 Y HN -0.020 nan 8.280 nan 0.000 0.505 609 I N 0.137 120.761 120.570 0.089 0.000 2.179 609 I HA -0.332 3.838 4.170 0.001 0.000 0.242 609 I C 2.250 178.423 176.117 0.093 0.000 1.088 609 I CA 1.720 63.053 61.300 0.053 0.000 1.357 609 I CB -0.500 37.338 38.000 -0.271 0.000 1.051 609 I HN 0.180 nan 8.210 nan 0.000 0.409 610 K N 0.510 120.935 120.400 0.042 0.000 2.211 610 K HA -0.202 4.119 4.320 0.001 0.000 0.204 610 K C 1.863 178.500 176.600 0.063 0.000 1.047 610 K CA 1.218 57.586 56.287 0.135 0.000 0.935 610 K CB -0.110 32.440 32.500 0.084 0.000 0.728 610 K HN 0.436 nan 8.250 nan 0.000 0.452 611 Q N -0.422 119.354 119.800 -0.041 0.000 2.360 611 Q HA 0.094 4.434 4.340 0.001 0.000 0.202 611 Q C 0.806 176.690 176.000 -0.192 0.000 0.915 611 Q CA 0.292 56.034 55.803 -0.101 0.000 0.943 611 Q CB 0.534 29.203 28.738 -0.116 0.000 1.064 611 Q HN 0.260 nan 8.270 nan 0.000 0.511 612 N N -1.169 117.394 118.700 -0.228 0.000 2.104 612 N HA 0.138 4.879 4.740 0.001 0.000 0.227 612 N C -0.886 174.284 175.510 -0.567 0.000 1.321 612 N CA 0.251 53.023 53.050 -0.463 0.000 0.877 612 N CB 1.081 39.079 38.487 -0.814 0.000 1.117 612 N HN -0.006 nan 8.380 nan 0.000 0.486 613 F N 0.745 120.696 119.950 0.002 0.000 2.563 613 F HA 0.396 4.924 4.527 0.001 0.000 0.316 613 F C 0.131 176.026 175.800 0.158 0.000 1.076 613 F CA -0.628 57.431 58.000 0.098 0.000 0.921 613 F CB 1.947 41.028 39.000 0.135 0.000 1.209 613 F HN -0.389 nan 8.300 nan 0.000 0.462 614 T N 3.568 118.285 114.554 0.271 0.000 2.758 614 T HA 0.410 4.760 4.350 0.001 0.000 0.285 614 T C -2.561 172.149 174.700 0.016 0.000 0.981 614 T CA -1.442 60.711 62.100 0.088 0.000 0.965 614 T CB 1.094 69.984 68.868 0.037 0.000 0.927 614 T HN 0.131 nan 8.240 nan 0.000 0.448 615 P HA 0.152 nan 4.420 nan 0.000 0.269 615 P C 0.094 177.301 177.300 -0.154 0.000 1.209 615 P CA -0.438 62.396 63.100 -0.443 0.000 0.776 615 P CB 0.322 31.576 31.700 -0.742 0.000 0.876 616 S N 3.197 118.850 115.700 -0.078 0.000 2.584 616 S HA 0.301 4.771 4.470 0.001 0.000 0.270 616 S C -1.895 172.684 174.600 -0.034 0.000 1.346 616 S CA -0.893 57.288 58.200 -0.032 0.000 1.018 616 S CB -0.731 62.461 63.200 -0.013 0.000 0.899 616 S HN 0.372 nan 8.310 nan 0.000 0.542 617 P HA 0.263 nan 4.420 nan 0.000 0.274 617 P C -0.652 176.726 177.300 0.130 0.000 1.231 617 P CA -0.453 62.681 63.100 0.055 0.000 0.790 617 P CB 0.360 32.090 31.700 0.049 0.000 0.951 618 F N 0.000 119.937 119.950 -0.022 0.000 2.286 618 F HA 0.000 4.527 4.527 0.000 0.000 0.279 618 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 618 F CB 0.000 38.993 39.000 -0.012 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574