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 3k4l_1_B DATA FIRST_RESID 46 DATA SEQUENCE KYDVVIVGSG PIGCTYAREL VGAGYKVAMF DIGEIDSGLK IGAHKKNTVE DATA SEQUENCE YQKNIDKFVN VIQGQLMSVS VPVNTLVVDT LSPTSWQAST FFVRNGSNPE DATA SEQUENCE QDPLRNLSGQ AVTRVVGGMS THWTCATPRF 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 HTQIHRDANX XXXXXQSIDS 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 0.000 176.285 176.600 -0.525 0.000 0.988 46 K CA 0.000 56.145 56.287 -0.237 0.000 0.838 46 K CB 0.000 32.419 32.500 -0.135 0.000 1.064 47 Y N 1.475 121.759 120.300 -0.027 0.000 2.605 47 Y HA 0.325 4.875 4.550 0.001 0.000 0.343 47 Y C 0.783 176.650 175.900 -0.055 0.000 1.036 47 Y CA -0.741 57.331 58.100 -0.046 0.000 1.065 47 Y CB 1.907 40.337 38.460 -0.051 0.000 1.288 47 Y HN 0.593 nan 8.280 nan 0.000 0.481 48 D N 0.135 120.614 120.400 0.132 0.000 2.103 48 D HA 0.010 4.650 4.640 0.000 0.000 0.199 48 D C -0.261 176.034 176.300 -0.007 0.000 0.978 48 D CA 1.480 55.540 54.000 0.100 0.000 0.829 48 D CB 0.214 41.140 40.800 0.211 0.000 0.981 48 D HN 0.102 nan 8.370 nan 0.000 0.464 49 V N 1.193 121.095 119.914 -0.019 0.000 2.656 49 V HA 0.396 4.516 4.120 0.000 0.000 0.307 49 V C -0.213 175.777 176.094 -0.175 0.000 1.051 49 V CA -1.019 61.179 62.300 -0.169 0.000 0.893 49 V CB 2.399 34.100 31.823 -0.203 0.000 0.999 49 V HN 0.001 nan 8.190 nan 0.000 0.426 50 V N 2.859 122.626 119.914 -0.246 0.000 2.555 50 V HA 0.764 4.884 4.120 0.000 0.000 0.302 50 V C -0.687 175.339 176.094 -0.113 0.000 1.038 50 V CA -0.630 61.583 62.300 -0.146 0.000 0.887 50 V CB 1.711 33.534 31.823 0.000 0.000 0.991 50 V HN 0.687 nan 8.190 nan 0.000 0.434 51 I N 4.105 124.629 120.570 -0.076 0.000 2.436 51 I HA 0.495 4.665 4.170 0.000 0.000 0.289 51 I C -0.592 175.539 176.117 0.024 0.000 1.010 51 I CA -0.901 60.347 61.300 -0.088 0.000 1.098 51 I CB 2.284 40.215 38.000 -0.115 0.000 1.266 51 I HN 0.449 nan 8.210 nan 0.000 0.434 52 V N 5.515 125.435 119.914 0.011 0.000 2.333 52 V HA 0.807 4.927 4.120 0.000 0.000 0.274 52 V C 0.442 176.541 176.094 0.009 0.000 1.028 52 V CA -0.289 62.043 62.300 0.053 0.000 0.851 52 V CB 0.537 32.373 31.823 0.022 0.000 1.000 52 V HN 1.055 nan 8.190 nan 0.000 0.456 53 G N 3.845 112.665 108.800 0.033 0.000 3.055 53 G HA2 -0.007 3.953 3.960 0.000 0.000 0.685 53 G HA3 -0.007 3.953 3.960 0.000 0.000 0.685 53 G C -0.045 174.865 174.900 0.018 0.000 1.212 53 G CA -0.242 44.869 45.100 0.018 0.000 0.822 53 G HN 1.236 nan 8.290 nan 0.000 0.610 54 S N 1.115 116.830 115.700 0.024 0.000 2.601 54 S HA 0.594 5.064 4.470 0.000 0.000 0.244 54 S C 1.332 175.940 174.600 0.013 0.000 1.001 54 S CA 0.726 58.946 58.200 0.033 0.000 0.984 54 S CB 0.554 63.786 63.200 0.053 0.000 0.842 54 S HN 1.943 nan 8.310 nan 0.000 0.474 55 G N 2.765 111.563 108.800 -0.004 0.000 2.631 55 G HA2 0.357 4.317 3.960 0.000 0.000 0.271 55 G HA3 0.357 4.317 3.960 0.000 0.000 0.271 55 G C -1.047 173.827 174.900 -0.042 0.000 1.302 55 G CA -1.155 43.925 45.100 -0.035 0.000 1.002 55 G HN 0.256 nan 8.290 nan 0.000 0.519 56 P HA -0.092 nan 4.420 nan 0.000 0.219 56 P C 1.776 179.021 177.300 -0.092 0.000 1.146 56 P CA 0.853 63.901 63.100 -0.086 0.000 0.808 56 P CB 0.150 31.818 31.700 -0.052 0.000 0.779 57 I N 0.164 120.713 120.570 -0.034 0.000 2.233 57 I HA -0.059 4.112 4.170 0.000 0.000 0.243 57 I C 2.735 178.911 176.117 0.100 0.000 1.093 57 I CA 1.708 63.025 61.300 0.027 0.000 1.380 57 I CB -2.356 35.683 38.000 0.066 0.000 1.067 57 I HN 0.006 nan 8.210 nan 0.000 0.413 58 G N 0.264 109.095 108.800 0.052 0.000 2.422 58 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 58 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 58 G C 1.762 176.665 174.900 0.004 0.000 1.146 58 G CA 0.962 46.082 45.100 0.033 0.000 0.769 58 G HN 0.412 nan 8.290 nan 0.000 0.547 59 C N 0.693 119.972 119.300 -0.036 0.000 2.432 59 C HA 0.031 4.491 4.460 0.000 0.000 0.282 59 C C 3.167 178.042 174.990 -0.192 0.000 1.388 59 C CA 1.351 60.307 59.018 -0.104 0.000 1.777 59 C CB -0.973 26.749 27.740 -0.031 0.000 1.882 59 C HN 0.448 nan 8.230 nan 0.000 0.520 60 T N 0.023 114.494 114.554 -0.139 0.000 2.737 60 T HA -0.153 4.197 4.350 0.000 0.000 0.265 60 T C 1.467 176.028 174.700 -0.231 0.000 1.038 60 T CA 1.578 63.567 62.100 -0.184 0.000 1.144 60 T CB -0.431 68.344 68.868 -0.155 0.000 0.866 60 T HN 0.550 nan 8.240 nan 0.000 0.434 61 Y N 1.603 121.768 120.300 -0.224 0.000 2.165 61 Y HA -0.115 4.435 4.550 0.000 0.000 0.286 61 Y C 2.772 178.458 175.900 -0.357 0.000 1.155 61 Y CA 1.027 58.970 58.100 -0.260 0.000 1.164 61 Y CB -0.701 37.622 38.460 -0.227 0.000 0.978 61 Y HN 0.203 nan 8.280 nan 0.000 0.513 62 A N 0.123 122.760 122.820 -0.305 0.000 1.877 62 A HA -0.235 4.085 4.320 0.000 0.000 0.216 62 A C 2.292 179.313 177.584 -0.939 0.000 1.186 62 A CA 1.818 53.434 52.037 -0.702 0.000 0.620 62 A CB -0.788 17.570 19.000 -1.071 0.000 0.822 62 A HN 0.425 nan 8.150 nan 0.000 0.443 63 R N -0.289 119.719 120.500 -0.820 0.000 2.094 63 R HA -0.189 4.151 4.340 0.000 0.000 0.239 63 R C 2.116 178.195 176.300 -0.367 0.000 1.137 63 R CA 1.944 57.700 56.100 -0.572 0.000 0.943 63 R CB -0.316 29.683 30.300 -0.501 0.000 0.850 63 R HN 0.633 nan 8.270 nan 0.000 0.433 64 E N 0.313 120.333 120.200 -0.301 0.000 2.051 64 E HA -0.192 4.158 4.350 0.000 0.000 0.192 64 E C 2.159 178.678 176.600 -0.135 0.000 0.991 64 E CA 1.355 57.649 56.400 -0.177 0.000 0.799 64 E CB -0.106 29.488 29.700 -0.176 0.000 0.748 64 E HN 0.430 nan 8.360 nan 0.000 0.449 65 L N 0.454 121.569 121.223 -0.179 0.000 2.162 65 L HA -0.067 4.274 4.340 0.000 0.000 0.205 65 L C 2.549 179.449 176.870 0.050 0.000 1.086 65 L CA 0.281 55.064 54.840 -0.095 0.000 0.778 65 L CB -0.286 41.623 42.059 -0.250 0.000 0.928 65 L HN -0.047 nan 8.230 nan 0.000 0.446 66 V N 0.611 120.465 119.914 -0.100 0.000 2.407 66 V HA -0.200 3.921 4.120 0.000 0.000 0.248 66 V C 2.602 178.710 176.094 0.023 0.000 1.055 66 V CA 2.058 64.336 62.300 -0.036 0.000 1.049 66 V CB -1.172 30.545 31.823 -0.177 0.000 0.662 66 V HN 0.567 nan 8.190 nan 0.000 0.455 67 G N -0.605 108.182 108.800 -0.021 0.000 2.443 67 G HA2 -0.092 3.868 3.960 0.000 0.000 0.219 67 G HA3 -0.092 3.868 3.960 0.000 0.000 0.219 67 G C 1.547 176.474 174.900 0.044 0.000 1.131 67 G CA 0.785 45.892 45.100 0.011 0.000 0.775 67 G HN 0.617 nan 8.290 nan 0.000 0.547 68 A N -0.394 122.480 122.820 0.091 0.000 2.208 68 A HA 0.463 4.783 4.320 0.000 0.000 0.209 68 A C 1.951 179.565 177.584 0.049 0.000 1.161 68 A CA 1.334 53.448 52.037 0.128 0.000 0.782 68 A CB -0.357 18.820 19.000 0.294 0.000 0.816 68 A HN 1.547 nan 8.150 nan 0.000 0.477 69 G N -2.392 106.443 108.800 0.058 0.000 2.131 69 G HA2 -0.246 3.714 3.960 0.000 0.000 0.223 69 G HA3 -0.246 3.714 3.960 0.000 0.000 0.223 69 G C -0.131 174.706 174.900 -0.106 0.000 0.990 69 G CA 0.034 45.123 45.100 -0.017 0.000 0.671 69 G HN 0.379 nan 8.290 nan 0.000 0.521 70 Y N 0.401 120.697 120.300 -0.007 0.000 2.346 70 Y HA 0.411 4.961 4.550 0.001 0.000 0.330 70 Y C 1.134 177.021 175.900 -0.022 0.000 1.178 70 Y CA -0.078 58.012 58.100 -0.017 0.000 1.331 70 Y CB 0.784 39.225 38.460 -0.031 0.000 1.253 70 Y HN 0.106 nan 8.280 nan 0.000 0.529 71 K N 3.090 123.543 120.400 0.088 0.000 2.315 71 K HA 0.343 4.663 4.320 0.000 0.000 0.291 71 K C -1.467 175.220 176.600 0.145 0.000 1.074 71 K CA -0.077 56.247 56.287 0.061 0.000 0.936 71 K CB -0.076 32.422 32.500 -0.003 0.000 1.049 71 K HN 0.494 nan 8.250 nan 0.000 0.471 72 V N 3.355 123.331 119.914 0.103 0.000 2.459 72 V HA 0.551 4.671 4.120 0.000 0.000 0.295 72 V C -0.300 175.631 176.094 -0.270 0.000 1.029 72 V CA -0.934 61.370 62.300 0.007 0.000 0.874 72 V CB 1.466 33.357 31.823 0.114 0.000 0.985 72 V HN 0.869 nan 8.190 nan 0.000 0.438 73 A N 5.942 128.429 122.820 -0.556 0.000 2.330 73 A HA 0.904 5.225 4.320 0.000 0.000 0.327 73 A C -0.601 176.560 177.584 -0.706 0.000 1.155 73 A CA -0.578 50.876 52.037 -0.972 0.000 0.803 73 A CB 1.366 19.420 19.000 -1.575 0.000 1.208 73 A HN 0.917 nan 8.150 nan 0.000 0.477 74 M N 2.605 121.719 119.600 -0.811 0.000 2.393 74 M HA 0.757 5.237 4.480 0.000 0.000 0.316 74 M C -2.116 173.823 176.300 -0.601 0.000 1.087 74 M CA -0.457 54.567 55.300 -0.460 0.000 0.937 74 M CB 1.110 33.657 32.600 -0.089 0.000 1.668 74 M HN 0.576 nan 8.290 nan 0.000 0.438 75 F N 2.357 122.290 119.950 -0.029 0.000 2.495 75 F HA 0.519 5.046 4.527 -0.000 0.000 0.327 75 F C -0.131 175.665 175.800 -0.007 0.000 1.103 75 F CA -0.565 57.445 58.000 0.016 0.000 0.949 75 F CB 1.422 40.425 39.000 0.005 0.000 1.142 75 F HN 0.470 nan 8.300 nan 0.000 0.457 76 D N 3.037 123.536 120.400 0.165 0.000 2.646 76 D HA 0.249 4.889 4.640 0.000 0.000 0.245 76 D C 0.692 177.020 176.300 0.047 0.000 1.099 76 D CA -0.334 53.712 54.000 0.076 0.000 0.849 76 D CB 2.463 43.288 40.800 0.043 0.000 1.448 76 D HN 0.651 nan 8.370 nan 0.000 0.489 77 I N 1.976 122.526 120.570 -0.034 0.000 2.493 77 I HA -0.010 4.160 4.170 0.000 0.000 0.254 77 I C 1.124 177.202 176.117 -0.065 0.000 1.160 77 I CA 0.800 62.033 61.300 -0.112 0.000 1.445 77 I CB 0.169 37.987 38.000 -0.302 0.000 1.086 77 I HN 0.318 nan 8.210 nan 0.000 0.433 78 G N -0.037 108.745 108.800 -0.030 0.000 2.537 78 G HA2 0.378 4.339 3.960 0.000 0.000 0.297 78 G HA3 0.378 4.339 3.960 0.000 0.000 0.297 78 G C -0.857 174.063 174.900 0.033 0.000 1.310 78 G CA -0.422 44.686 45.100 0.012 0.000 1.027 78 G HN 0.288 nan 8.290 nan 0.000 0.505 79 E N -1.371 118.855 120.200 0.044 0.000 2.281 79 E HA 0.374 4.725 4.350 0.000 0.000 0.262 79 E C -0.448 176.179 176.600 0.045 0.000 0.933 79 E CA -0.735 55.693 56.400 0.046 0.000 0.809 79 E CB 2.488 32.218 29.700 0.050 0.000 1.242 79 E HN 0.266 nan 8.360 nan 0.000 0.418 80 I N 2.559 123.154 120.570 0.041 0.000 2.517 80 I HA 0.020 4.190 4.170 0.000 0.000 0.285 80 I C -0.090 176.056 176.117 0.049 0.000 1.106 80 I CA 0.608 61.934 61.300 0.042 0.000 1.402 80 I CB 0.159 38.178 38.000 0.033 0.000 1.399 80 I HN 0.543 nan 8.210 nan 0.000 0.535 81 D N 2.363 122.798 120.400 0.059 0.000 2.969 81 D HA 0.002 4.642 4.640 0.000 0.000 0.317 81 D C -0.032 176.322 176.300 0.090 0.000 1.650 81 D CA -0.259 53.783 54.000 0.070 0.000 0.789 81 D CB -0.209 40.632 40.800 0.068 0.000 1.277 81 D HN 0.224 nan 8.370 nan 0.000 0.463 82 S N 0.255 116.010 115.700 0.092 0.000 2.562 82 S HA 0.628 5.098 4.470 0.000 0.000 0.246 82 S C 0.920 175.590 174.600 0.117 0.000 1.056 82 S CA 0.018 58.291 58.200 0.121 0.000 1.042 82 S CB 0.652 63.926 63.200 0.122 0.000 0.822 82 S HN 0.847 nan 8.310 nan 0.000 0.465 83 G N 1.390 110.248 108.800 0.097 0.000 2.632 83 G HA2 -0.219 3.741 3.960 0.000 0.000 0.224 83 G HA3 -0.219 3.741 3.960 0.000 0.000 0.224 83 G C 0.276 175.213 174.900 0.060 0.000 1.341 83 G CA -0.315 44.834 45.100 0.082 0.000 0.880 83 G HN 0.320 nan 8.290 nan 0.000 0.566 84 L N 0.264 121.517 121.223 0.050 0.000 2.395 84 L HA 0.132 4.472 4.340 0.000 0.000 0.218 84 L C 1.448 178.332 176.870 0.024 0.000 1.130 84 L CA 0.796 55.654 54.840 0.030 0.000 0.826 84 L CB -0.286 41.786 42.059 0.021 0.000 0.941 84 L HN 0.318 nan 8.230 nan 0.000 0.451 85 K N 1.826 122.250 120.400 0.039 0.000 2.250 85 K HA 0.320 4.640 4.320 0.000 0.000 0.285 85 K C -0.306 176.317 176.600 0.039 0.000 1.097 85 K CA -0.188 56.118 56.287 0.032 0.000 0.913 85 K CB 0.852 33.385 32.500 0.055 0.000 1.179 85 K HN 0.099 nan 8.250 nan 0.000 0.462 86 I N 1.754 122.331 120.570 0.012 0.000 2.556 86 I HA -0.029 4.142 4.170 0.000 0.000 0.284 86 I C 1.336 177.470 176.117 0.028 0.000 1.114 86 I CA 0.673 61.985 61.300 0.019 0.000 1.418 86 I CB 0.589 38.590 38.000 0.001 0.000 1.394 86 I HN 0.942 nan 8.210 nan 0.000 0.552 87 G N 4.268 113.096 108.800 0.046 0.000 2.153 87 G HA2 -0.202 3.759 3.960 0.000 0.000 0.252 87 G HA3 -0.202 3.759 3.960 0.000 0.000 0.252 87 G C 0.280 175.227 174.900 0.078 0.000 0.994 87 G CA 0.107 45.237 45.100 0.050 0.000 0.698 87 G HN 0.954 nan 8.290 nan 0.000 0.521 88 A N -0.537 122.346 122.820 0.106 0.000 2.246 88 A HA 0.665 4.985 4.320 0.000 0.000 0.291 88 A C 0.519 178.228 177.584 0.208 0.000 1.103 88 A CA -0.372 51.766 52.037 0.169 0.000 0.844 88 A CB 0.351 19.452 19.000 0.169 0.000 1.136 88 A HN 0.584 nan 8.150 nan 0.000 0.500 89 H N 0.318 119.523 119.070 0.225 0.000 2.848 89 H HA 0.118 4.674 4.556 -0.000 0.000 0.317 89 H C 0.656 176.120 175.328 0.226 0.000 1.046 89 H CA 0.667 56.864 56.048 0.248 0.000 1.470 89 H CB 0.880 30.808 29.762 0.278 0.000 1.483 89 H HN 0.655 nan 8.280 nan 0.000 0.548 90 K N 3.445 124.041 120.400 0.328 0.000 2.365 90 K HA -0.106 4.214 4.320 0.000 0.000 0.199 90 K C 1.681 178.550 176.600 0.448 0.000 1.045 90 K CA 0.661 57.200 56.287 0.420 0.000 0.962 90 K CB 0.372 33.121 32.500 0.415 0.000 0.759 90 K HN 0.404 nan 8.250 nan 0.000 0.469 91 K N 1.019 121.580 120.400 0.268 0.000 2.486 91 K HA -0.002 4.318 4.320 0.000 0.000 0.194 91 K C 0.276 176.928 176.600 0.087 0.000 1.033 91 K CA 0.447 56.555 56.287 -0.298 0.000 1.004 91 K CB 0.261 32.179 32.500 -0.969 0.000 0.798 91 K HN -0.027 nan 8.250 nan 0.000 0.495 92 N N 1.938 120.795 118.700 0.263 0.000 2.843 92 N HA -0.013 4.727 4.740 0.000 0.000 0.284 92 N C -0.923 174.869 175.510 0.469 0.000 1.274 92 N CA 0.306 53.552 53.050 0.327 0.000 1.045 92 N CB 0.611 39.309 38.487 0.352 0.000 1.370 92 N HN 0.268 nan 8.380 nan 0.000 0.525 93 T N -4.525 110.292 114.554 0.437 0.000 2.885 93 T HA 0.352 4.702 4.350 0.000 0.000 0.285 93 T C 1.381 176.329 174.700 0.413 0.000 1.019 93 T CA -0.786 61.536 62.100 0.371 0.000 1.010 93 T CB 1.615 70.641 68.868 0.262 0.000 1.022 93 T HN -0.179 nan 8.240 nan 0.000 0.466 94 V N 1.384 121.468 119.914 0.284 0.000 2.332 94 V HA -0.111 4.009 4.120 0.000 0.000 0.248 94 V C 2.798 178.981 176.094 0.147 0.000 1.055 94 V CA 2.402 64.839 62.300 0.229 0.000 1.038 94 V CB -0.928 30.932 31.823 0.063 0.000 0.651 94 V HN 1.050 nan 8.190 nan 0.000 0.450 95 E N -0.401 119.827 120.200 0.046 0.000 2.110 95 E HA -0.210 4.140 4.350 0.000 0.000 0.193 95 E C 1.997 178.557 176.600 -0.067 0.000 0.988 95 E CA 1.594 57.958 56.400 -0.060 0.000 0.804 95 E CB -0.336 29.262 29.700 -0.170 0.000 0.745 95 E HN 0.664 nan 8.360 nan 0.000 0.458 96 Y N 0.721 121.107 120.300 0.144 0.000 2.314 96 Y HA -0.012 4.538 4.550 -0.001 0.000 0.293 96 Y C 2.092 178.041 175.900 0.081 0.000 1.129 96 Y CA 1.268 59.446 58.100 0.130 0.000 1.201 96 Y CB -0.084 38.463 38.460 0.145 0.000 0.999 96 Y HN 0.171 nan 8.280 nan 0.000 0.541 97 Q N -0.373 119.557 119.800 0.216 0.000 2.432 97 Q HA -0.068 4.272 4.340 0.000 0.000 0.205 97 Q C 1.446 177.521 176.000 0.125 0.000 0.945 97 Q CA 0.646 56.530 55.803 0.135 0.000 0.924 97 Q CB 0.071 28.849 28.738 0.068 0.000 1.016 97 Q HN 0.441 nan 8.270 nan 0.000 0.503 98 K N 0.188 120.660 120.400 0.121 0.000 2.393 98 K HA 0.102 4.422 4.320 0.000 0.000 0.193 98 K C 0.260 176.906 176.600 0.076 0.000 1.026 98 K CA 0.236 56.572 56.287 0.083 0.000 1.064 98 K CB 0.567 33.104 32.500 0.062 0.000 0.833 98 K HN 0.074 nan 8.250 nan 0.000 0.521 99 N N 1.046 119.813 118.700 0.111 0.000 2.664 99 N HA 0.047 4.787 4.740 0.000 0.000 0.287 99 N C 0.123 175.754 175.510 0.201 0.000 1.869 99 N CA 0.060 53.184 53.050 0.124 0.000 0.832 99 N CB 0.969 39.514 38.487 0.098 0.000 1.293 99 N HN -0.009 nan 8.380 nan 0.000 0.498 100 I N 2.184 122.851 120.570 0.160 0.000 2.454 100 I HA -0.228 3.942 4.170 0.000 0.000 0.254 100 I C 2.025 178.237 176.117 0.158 0.000 1.156 100 I CA 1.590 62.986 61.300 0.160 0.000 1.433 100 I CB -0.053 37.999 38.000 0.086 0.000 1.082 100 I HN 0.291 nan 8.210 nan 0.000 0.432 101 D N -0.111 120.363 120.400 0.123 0.000 2.271 101 D HA -0.260 4.380 4.640 0.000 0.000 0.207 101 D C 1.394 177.766 176.300 0.120 0.000 0.983 101 D CA 0.995 55.055 54.000 0.099 0.000 0.878 101 D CB -0.339 40.506 40.800 0.075 0.000 0.920 101 D HN 0.322 nan 8.370 nan 0.000 0.479 102 K N -0.486 120.032 120.400 0.198 0.000 2.379 102 K HA 0.047 4.367 4.320 0.000 0.000 0.194 102 K C 1.486 178.200 176.600 0.189 0.000 1.031 102 K CA -0.256 56.163 56.287 0.219 0.000 1.037 102 K CB -0.405 32.284 32.500 0.316 0.000 0.824 102 K HN 0.186 nan 8.250 nan 0.000 0.516 103 F N 1.361 121.307 119.950 -0.007 0.000 2.407 103 F HA -0.105 4.423 4.527 0.001 0.000 0.299 103 F C 1.937 177.635 175.800 -0.171 0.000 1.097 103 F CA 0.342 58.184 58.000 -0.264 0.000 1.422 103 F CB -0.061 38.755 39.000 -0.307 0.000 1.067 103 F HN -0.230 nan 8.300 nan 0.000 0.539 104 V N 0.768 120.627 119.914 -0.093 0.000 2.469 104 V HA -0.356 3.764 4.120 0.000 0.000 0.251 104 V C 1.711 177.662 176.094 -0.238 0.000 1.064 104 V CA 2.748 64.954 62.300 -0.157 0.000 1.066 104 V CB -0.627 31.151 31.823 -0.075 0.000 0.667 104 V HN 0.453 nan 8.190 nan 0.000 0.461 105 N N -0.528 118.054 118.700 -0.198 0.000 2.188 105 N HA -0.113 4.627 4.740 0.000 0.000 0.184 105 N C 1.648 177.001 175.510 -0.262 0.000 1.018 105 N CA 1.468 54.418 53.050 -0.167 0.000 0.858 105 N CB -0.234 38.211 38.487 -0.070 0.000 0.989 105 N HN 0.415 nan 8.380 nan 0.000 0.426 106 V N 1.305 120.942 119.914 -0.462 0.000 2.295 106 V HA -0.220 3.900 4.120 0.000 0.000 0.246 106 V C 2.049 177.835 176.094 -0.513 0.000 1.049 106 V CA 1.423 63.393 62.300 -0.551 0.000 1.024 106 V CB -0.560 30.656 31.823 -1.013 0.000 0.648 106 V HN 0.296 nan 8.190 nan 0.000 0.447 107 I N -0.176 120.005 120.570 -0.648 0.000 2.099 107 I HA -0.356 3.814 4.170 0.000 0.000 0.239 107 I C 2.760 178.648 176.117 -0.382 0.000 1.066 107 I CA 1.924 62.892 61.300 -0.554 0.000 1.324 107 I CB -0.478 37.239 38.000 -0.472 0.000 1.037 107 I HN 0.348 nan 8.210 nan 0.000 0.401 108 Q N 0.372 120.006 119.800 -0.276 0.000 2.135 108 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 108 Q C 2.292 178.212 176.000 -0.134 0.000 0.981 108 Q CA 1.532 57.228 55.803 -0.178 0.000 0.856 108 Q CB -0.502 28.155 28.738 -0.135 0.000 0.902 108 Q HN 0.669 nan 8.270 nan 0.000 0.425 109 G N 1.252 109.969 108.800 -0.138 0.000 2.498 109 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 109 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 109 G C 0.993 175.859 174.900 -0.057 0.000 1.119 109 G CA 0.889 45.938 45.100 -0.085 0.000 0.766 109 G HN 0.511 nan 8.290 nan 0.000 0.552 110 Q N -0.861 118.893 119.800 -0.077 0.000 2.084 110 Q HA 0.411 4.751 4.340 0.000 0.000 0.230 110 Q C -0.262 175.741 176.000 0.006 0.000 0.806 110 Q CA -0.295 55.502 55.803 -0.010 0.000 1.083 110 Q CB 0.128 28.884 28.738 0.031 0.000 1.208 110 Q HN 0.245 nan 8.270 nan 0.000 0.462 111 L N 2.068 123.268 121.223 -0.039 0.000 2.283 111 L HA 0.510 4.851 4.340 0.000 0.000 0.281 111 L C -0.877 176.002 176.870 0.016 0.000 1.033 111 L CA -0.751 54.084 54.840 -0.008 0.000 0.848 111 L CB 1.147 43.167 42.059 -0.065 0.000 1.226 111 L HN 0.211 nan 8.230 nan 0.000 0.429 112 M N 2.168 121.802 119.600 0.057 0.000 2.129 112 M HA 0.257 4.737 4.480 0.000 0.000 0.348 112 M C 0.258 176.601 176.300 0.071 0.000 1.116 112 M CA 0.105 55.445 55.300 0.067 0.000 1.022 112 M CB 1.577 34.238 32.600 0.101 0.000 1.599 112 M HN 0.315 nan 8.290 nan 0.000 0.449 113 S N 1.964 117.693 115.700 0.048 0.000 2.552 113 S HA 0.093 4.563 4.470 0.000 0.000 0.289 113 S C 1.466 176.105 174.600 0.066 0.000 1.304 113 S CA -0.629 57.600 58.200 0.047 0.000 1.063 113 S CB 0.615 63.831 63.200 0.026 0.000 0.848 113 S HN 0.585 nan 8.310 nan 0.000 0.499 114 V N 2.414 122.379 119.914 0.084 0.000 2.323 114 V HA 0.001 4.121 4.120 0.000 0.000 0.244 114 V C 1.196 177.299 176.094 0.015 0.000 1.041 114 V CA 1.407 63.751 62.300 0.072 0.000 1.025 114 V CB -0.031 31.875 31.823 0.137 0.000 0.656 114 V HN 0.790 nan 8.190 nan 0.000 0.451 115 S N -0.483 115.246 115.700 0.048 0.000 2.776 115 S HA 0.526 4.996 4.470 0.000 0.000 0.284 115 S C -1.119 173.488 174.600 0.011 0.000 1.160 115 S CA -0.471 57.721 58.200 -0.013 0.000 1.051 115 S CB 1.455 64.613 63.200 -0.070 0.000 1.037 115 S HN 0.012 nan 8.310 nan 0.000 0.485 116 V N 7.799 127.706 119.914 -0.011 0.000 2.370 116 V HA 0.556 4.676 4.120 0.000 0.000 0.283 116 V C -1.946 174.134 176.094 -0.024 0.000 1.023 116 V CA -1.791 60.501 62.300 -0.013 0.000 0.857 116 V CB 1.398 33.214 31.823 -0.012 0.000 0.985 116 V HN 0.700 nan 8.190 nan 0.000 0.443 117 P HA 0.186 nan 4.420 nan 0.000 0.274 117 P C -0.207 177.072 177.300 -0.034 0.000 1.256 117 P CA -0.206 62.878 63.100 -0.028 0.000 0.795 117 P CB 0.892 32.576 31.700 -0.027 0.000 1.038 118 V N 2.195 122.092 119.914 -0.029 0.000 2.599 118 V HA -0.022 4.098 4.120 0.000 0.000 0.300 118 V C 1.246 177.299 176.094 -0.069 0.000 1.034 118 V CA 0.141 62.422 62.300 -0.033 0.000 1.115 118 V CB -0.659 31.165 31.823 0.003 0.000 0.934 118 V HN 0.604 nan 8.190 nan 0.000 0.485 119 N N 3.697 122.348 118.700 -0.082 0.000 2.458 119 N HA 0.085 4.825 4.740 0.000 0.000 0.270 119 N C 0.593 175.957 175.510 -0.243 0.000 1.102 119 N CA 0.307 53.284 53.050 -0.121 0.000 0.967 119 N CB 1.528 39.967 38.487 -0.079 0.000 1.078 119 N HN 0.855 nan 8.380 nan 0.000 0.471 120 T N 1.113 115.414 114.554 -0.422 0.000 3.266 120 T HA 0.280 4.630 4.350 0.000 0.000 0.278 120 T C 0.795 175.026 174.700 -0.782 0.000 1.010 120 T CA -0.452 61.023 62.100 -1.042 0.000 0.909 120 T CB -0.415 67.918 68.868 -0.890 0.000 1.122 120 T HN 0.275 nan 8.240 nan 0.000 0.536 121 L N 1.880 122.909 121.223 -0.324 0.000 2.416 121 L HA 0.381 4.722 4.340 0.000 0.000 0.272 121 L C 0.028 176.919 176.870 0.035 0.000 1.161 121 L CA -0.659 54.105 54.840 -0.126 0.000 0.845 121 L CB 1.024 43.050 42.059 -0.055 0.000 1.119 121 L HN 0.098 nan 8.230 nan 0.000 0.464 122 V N 4.658 124.620 119.914 0.081 0.000 2.383 122 V HA 0.197 4.318 4.120 0.000 0.000 0.275 122 V C 0.069 176.230 176.094 0.112 0.000 1.036 122 V CA -0.491 61.922 62.300 0.188 0.000 0.889 122 V CB 1.556 33.474 31.823 0.158 0.000 0.985 122 V HN 0.396 nan 8.190 nan 0.000 0.459 123 V N 5.356 125.340 119.914 0.117 0.000 2.284 123 V HA 0.315 4.435 4.120 0.000 0.000 0.274 123 V C 0.207 176.333 176.094 0.053 0.000 1.023 123 V CA -0.420 61.923 62.300 0.072 0.000 0.808 123 V CB 1.238 33.105 31.823 0.073 0.000 1.035 123 V HN 1.064 nan 8.190 nan 0.000 0.445 124 D N 1.996 122.420 120.400 0.039 0.000 2.462 124 D HA -0.003 4.637 4.640 0.000 0.000 0.221 124 D C 1.150 177.459 176.300 0.015 0.000 1.173 124 D CA 0.241 54.254 54.000 0.022 0.000 0.831 124 D CB 0.440 41.252 40.800 0.021 0.000 1.001 124 D HN 0.530 nan 8.370 nan 0.000 0.499 125 T N -1.603 112.963 114.554 0.020 0.000 3.248 125 T HA 0.345 4.695 4.350 0.000 0.000 0.271 125 T C 0.680 175.391 174.700 0.019 0.000 1.005 125 T CA -0.589 61.521 62.100 0.016 0.000 0.902 125 T CB -0.394 68.484 68.868 0.017 0.000 1.102 125 T HN 0.015 nan 8.240 nan 0.000 0.548 126 L N 1.754 122.989 121.223 0.021 0.000 2.473 126 L HA 0.361 4.701 4.340 0.000 0.000 0.268 126 L C 1.104 177.984 176.870 0.017 0.000 1.215 126 L CA -0.622 54.233 54.840 0.025 0.000 0.823 126 L CB 0.473 42.551 42.059 0.030 0.000 1.099 126 L HN 0.242 nan 8.230 nan 0.000 0.483 127 S N 1.376 117.089 115.700 0.022 0.000 2.572 127 S HA 0.159 4.630 4.470 0.000 0.000 0.279 127 S C -1.457 173.148 174.600 0.010 0.000 1.341 127 S CA -1.104 57.106 58.200 0.016 0.000 1.043 127 S CB 0.915 64.128 63.200 0.022 0.000 0.887 127 S HN 0.399 nan 8.310 nan 0.000 0.516 128 P HA -0.109 nan 4.420 nan 0.000 0.218 128 P C 1.393 178.692 177.300 -0.002 0.000 1.146 128 P CA 1.532 64.627 63.100 -0.008 0.000 0.813 128 P CB -0.221 31.475 31.700 -0.008 0.000 0.778 129 T N -5.505 109.057 114.554 0.013 0.000 3.055 129 T HA 0.074 4.424 4.350 0.000 0.000 0.265 129 T C 1.010 175.740 174.700 0.049 0.000 1.111 129 T CA 0.136 62.252 62.100 0.026 0.000 1.118 129 T CB -0.608 68.278 68.868 0.029 0.000 0.909 129 T HN -0.089 nan 8.240 nan 0.000 0.501 130 S N 1.294 117.026 115.700 0.053 0.000 2.580 130 S HA 0.312 4.782 4.470 0.000 0.000 0.274 130 S C -0.558 174.113 174.600 0.118 0.000 1.329 130 S CA -1.003 57.258 58.200 0.101 0.000 1.036 130 S CB 0.204 63.460 63.200 0.094 0.000 0.919 130 S HN 0.596 nan 8.310 nan 0.000 0.515 131 W N 2.806 124.114 121.300 0.013 0.000 2.210 131 W HA 0.205 4.864 4.660 -0.002 0.000 0.330 131 W C 0.012 176.544 176.519 0.022 0.000 1.334 131 W CA 0.364 57.716 57.345 0.011 0.000 1.227 131 W CB 0.387 29.854 29.460 0.012 0.000 1.178 131 W HN 0.373 nan 8.180 nan 0.000 0.560 132 Q N 4.054 123.408 119.800 -0.744 0.000 2.309 132 Q HA 0.496 4.836 4.340 0.000 0.000 0.273 132 Q C -0.564 174.694 176.000 -1.236 0.000 1.040 132 Q CA -0.711 54.679 55.803 -0.688 0.000 0.834 132 Q CB 1.952 30.521 28.738 -0.282 0.000 1.345 132 Q HN 0.615 nan 8.270 nan 0.000 0.414 133 A N 1.000 123.318 122.820 -0.838 0.000 2.287 133 A HA 0.481 4.801 4.320 0.000 0.000 0.273 133 A C 0.611 178.005 177.584 -0.317 0.000 1.091 133 A CA -0.092 51.622 52.037 -0.539 0.000 0.817 133 A CB 0.461 19.560 19.000 0.166 0.000 1.069 133 A HN 0.699 nan 8.150 nan 0.000 0.492 134 S N -0.717 114.840 115.700 -0.239 0.000 2.556 134 S HA 0.168 4.638 4.470 0.000 0.000 0.216 134 S C 0.616 175.100 174.600 -0.193 0.000 0.970 134 S CA 0.591 58.666 58.200 -0.207 0.000 0.912 134 S CB -0.237 62.866 63.200 -0.161 0.000 0.790 134 S HN 1.112 nan 8.310 nan 0.000 0.504 135 T N -1.506 112.965 114.554 -0.138 0.000 2.865 135 T HA 0.647 4.997 4.350 0.000 0.000 0.294 135 T C -0.926 173.699 174.700 -0.124 0.000 1.119 135 T CA -0.720 61.301 62.100 -0.131 0.000 1.007 135 T CB 0.721 69.617 68.868 0.047 0.000 1.225 135 T HN -0.097 nan 8.240 nan 0.000 0.515 136 F N 2.939 122.970 119.950 0.134 0.000 2.573 136 F HA 0.386 4.913 4.527 0.001 0.000 0.349 136 F C 0.391 176.240 175.800 0.081 0.000 1.213 136 F CA -2.072 55.967 58.000 0.065 0.000 1.300 136 F CB -1.012 38.001 39.000 0.020 0.000 1.661 136 F HN 0.563 nan 8.300 nan 0.000 0.616 137 F N -0.954 119.094 119.950 0.164 0.000 2.399 137 F HA 0.541 5.070 4.527 0.003 0.000 0.313 137 F C -0.024 175.847 175.800 0.119 0.000 1.202 137 F CA -1.510 56.564 58.000 0.124 0.000 1.192 137 F CB -0.110 38.955 39.000 0.108 0.000 1.256 137 F HN -0.186 nan 8.300 nan 0.000 0.558 138 V N 3.919 123.966 119.914 0.221 0.000 2.446 138 V HA 0.255 4.376 4.120 0.000 0.000 0.276 138 V C 0.310 176.421 176.094 0.028 0.000 1.030 138 V CA -0.249 62.101 62.300 0.084 0.000 1.033 138 V CB -0.736 31.155 31.823 0.115 0.000 0.993 138 V HN 0.914 nan 8.190 nan 0.000 0.477 139 R N 3.628 124.055 120.500 -0.123 0.000 2.817 139 R HA 0.452 4.792 4.340 0.000 0.000 0.268 139 R C -0.303 175.958 176.300 -0.066 0.000 1.027 139 R CA -0.894 55.135 56.100 -0.119 0.000 0.928 139 R CB 0.856 30.947 30.300 -0.348 0.000 1.228 139 R HN 0.455 nan 8.270 nan 0.000 0.469 140 N N -0.328 118.353 118.700 -0.031 0.000 2.721 140 N HA -0.193 4.548 4.740 0.000 0.000 0.249 140 N C 0.736 176.237 175.510 -0.015 0.000 1.072 140 N CA 1.852 54.889 53.050 -0.021 0.000 0.710 140 N CB -1.295 37.173 38.487 -0.032 0.000 0.993 140 N HN 1.121 nan 8.380 nan 0.000 0.547 141 G N -1.771 107.025 108.800 -0.005 0.000 2.155 141 G HA2 -0.333 3.627 3.960 0.000 0.000 0.257 141 G HA3 -0.333 3.627 3.960 0.000 0.000 0.257 141 G C 0.298 175.195 174.900 -0.005 0.000 0.983 141 G CA 0.864 45.963 45.100 -0.001 0.000 0.676 141 G HN 1.266 nan 8.290 nan 0.000 0.528 142 S N -0.599 115.093 115.700 -0.013 0.000 2.579 142 S HA 0.448 4.919 4.470 0.000 0.000 0.275 142 S C 0.182 174.776 174.600 -0.011 0.000 1.345 142 S CA -0.023 58.167 58.200 -0.017 0.000 1.031 142 S CB 1.762 64.945 63.200 -0.027 0.000 0.892 142 S HN 0.644 nan 8.310 nan 0.000 0.529 143 N N 2.354 121.040 118.700 -0.023 0.000 2.462 143 N HA 0.333 5.073 4.740 0.000 0.000 0.242 143 N C -1.564 173.932 175.510 -0.023 0.000 1.010 143 N CA -2.532 50.496 53.050 -0.035 0.000 0.939 143 N CB 1.082 39.520 38.487 -0.080 0.000 1.127 143 N HN 0.376 nan 8.380 nan 0.000 0.509 144 P HA -0.047 nan 4.420 nan 0.000 0.233 144 P C 0.287 177.608 177.300 0.035 0.000 1.167 144 P CA 0.779 63.896 63.100 0.028 0.000 0.770 144 P CB 0.560 32.291 31.700 0.052 0.000 0.837 145 E N -0.005 120.203 120.200 0.013 0.000 2.274 145 E HA -0.118 4.232 4.350 0.000 0.000 0.194 145 E C 0.957 177.558 176.600 0.003 0.000 0.996 145 E CA 0.662 57.084 56.400 0.037 0.000 0.840 145 E CB -0.189 29.480 29.700 -0.050 0.000 0.772 145 E HN 0.312 nan 8.360 nan 0.000 0.491 146 Q N 2.278 122.045 119.800 -0.054 0.000 2.307 146 Q HA 0.022 4.362 4.340 0.000 0.000 0.259 146 Q C -0.812 175.192 176.000 0.007 0.000 0.998 146 Q CA -0.150 55.621 55.803 -0.054 0.000 0.923 146 Q CB 0.722 29.418 28.738 -0.070 0.000 1.196 146 Q HN -0.183 nan 8.270 nan 0.000 0.416 147 D N 6.008 126.431 120.400 0.038 0.000 2.382 147 D HA 0.032 4.672 4.640 0.000 0.000 0.259 147 D C -1.682 174.632 176.300 0.022 0.000 1.224 147 D CA -1.758 52.266 54.000 0.039 0.000 0.894 147 D CB 1.259 42.095 40.800 0.060 0.000 1.127 147 D HN 0.447 nan 8.370 nan 0.000 0.487 148 P HA -0.066 nan 4.420 nan 0.000 0.226 148 P C 1.165 178.464 177.300 -0.000 0.000 1.153 148 P CA 0.589 63.686 63.100 -0.005 0.000 0.777 148 P CB 0.340 32.026 31.700 -0.022 0.000 0.794 149 L N -1.090 120.137 121.223 0.006 0.000 2.607 149 L HA 0.214 4.554 4.340 0.000 0.000 0.228 149 L C 1.513 178.392 176.870 0.015 0.000 1.123 149 L CA 0.169 55.013 54.840 0.006 0.000 0.890 149 L CB -0.151 41.908 42.059 0.001 0.000 1.103 149 L HN -0.175 nan 8.230 nan 0.000 0.468 150 R N -0.314 120.204 120.500 0.030 0.000 2.698 150 R HA 0.208 4.548 4.340 0.000 0.000 0.422 150 R C -0.325 176.023 176.300 0.080 0.000 1.073 150 R CA -0.271 55.857 56.100 0.047 0.000 1.054 150 R CB 0.325 30.656 30.300 0.051 0.000 1.373 150 R HN 0.063 nan 8.270 nan 0.000 0.593 151 N N 0.546 119.272 118.700 0.043 0.000 2.502 151 N HA 0.376 5.116 4.740 0.000 0.000 0.280 151 N C -0.677 174.745 175.510 -0.148 0.000 1.223 151 N CA -0.584 52.475 53.050 0.016 0.000 0.966 151 N CB 1.097 39.593 38.487 0.014 0.000 1.203 151 N HN 0.063 nan 8.380 nan 0.000 0.565 152 L N 1.909 122.883 121.223 -0.415 0.000 2.504 152 L HA 0.224 4.564 4.340 0.000 0.000 0.249 152 L C 1.337 178.012 176.870 -0.326 0.000 1.120 152 L CA -0.289 54.188 54.840 -0.605 0.000 0.997 152 L CB 0.570 41.884 42.059 -1.242 0.000 1.349 152 L HN 0.632 nan 8.230 nan 0.000 0.439 153 S N -0.402 115.206 115.700 -0.154 0.000 2.442 153 S HA -0.111 4.359 4.470 0.000 0.000 0.236 153 S C 1.780 176.342 174.600 -0.063 0.000 1.007 153 S CA 0.978 59.137 58.200 -0.067 0.000 0.965 153 S CB -0.129 63.047 63.200 -0.040 0.000 0.773 153 S HN 0.643 nan 8.310 nan 0.000 0.504 154 G N 0.418 109.162 108.800 -0.093 0.000 2.623 154 G HA2 0.073 4.033 3.960 0.000 0.000 0.214 154 G HA3 0.073 4.033 3.960 0.000 0.000 0.214 154 G C 0.623 175.484 174.900 -0.066 0.000 1.138 154 G CA -0.244 44.814 45.100 -0.071 0.000 0.794 154 G HN 0.373 nan 8.290 nan 0.000 0.535 155 Q N 0.549 120.287 119.800 -0.104 0.000 2.330 155 Q HA 0.495 4.835 4.340 0.000 0.000 0.279 155 Q C -0.123 175.900 176.000 0.038 0.000 1.024 155 Q CA 0.351 56.125 55.803 -0.049 0.000 0.900 155 Q CB 1.368 30.048 28.738 -0.097 0.000 1.221 155 Q HN 0.293 nan 8.270 nan 0.000 0.396 156 A N 1.807 124.661 122.820 0.057 0.000 2.606 156 A HA 0.701 5.021 4.320 0.000 0.000 0.293 156 A C -1.003 176.641 177.584 0.100 0.000 1.082 156 A CA -0.555 51.525 52.037 0.072 0.000 0.685 156 A CB 1.237 20.264 19.000 0.045 0.000 1.284 156 A HN 0.463 nan 8.150 nan 0.000 0.408 157 V N -1.968 118.020 119.914 0.123 0.000 2.960 157 V HA 0.953 5.073 4.120 0.000 0.000 0.315 157 V C -0.409 175.781 176.094 0.160 0.000 1.087 157 V CA -0.551 61.846 62.300 0.163 0.000 0.982 157 V CB 1.710 33.676 31.823 0.238 0.000 1.039 157 V HN 0.885 nan 8.190 nan 0.000 0.437 158 T N 2.676 117.327 114.554 0.163 0.000 2.864 158 T HA 0.519 4.869 4.350 0.000 0.000 0.299 158 T C -0.297 174.465 174.700 0.103 0.000 1.011 158 T CA -0.406 61.780 62.100 0.143 0.000 0.975 158 T CB 0.757 69.737 68.868 0.187 0.000 0.962 158 T HN 0.754 nan 8.240 nan 0.000 0.448 159 R N 2.728 123.277 120.500 0.082 0.000 2.471 159 R HA 0.592 4.933 4.340 0.000 0.000 0.292 159 R C -0.438 175.888 176.300 0.043 0.000 1.192 159 R CA -0.597 55.524 56.100 0.035 0.000 1.257 159 R CB 0.546 30.844 30.300 -0.004 0.000 1.130 159 R HN 0.509 nan 8.270 nan 0.000 0.558 160 V N -1.699 118.239 119.914 0.039 0.000 3.120 160 V HA 0.413 4.533 4.120 0.000 0.000 0.303 160 V C -0.066 176.047 176.094 0.031 0.000 1.238 160 V CA -1.182 61.143 62.300 0.042 0.000 1.008 160 V CB 1.913 33.769 31.823 0.055 0.000 1.064 160 V HN 0.146 nan 8.190 nan 0.000 0.434 161 V N 3.410 123.345 119.914 0.035 0.000 2.540 161 V HA 0.497 4.617 4.120 0.000 0.000 0.297 161 V C 1.720 177.830 176.094 0.026 0.000 1.024 161 V CA 2.071 64.390 62.300 0.032 0.000 1.105 161 V CB 0.154 31.999 31.823 0.037 0.000 0.938 161 V HN 2.101 nan 8.190 nan 0.000 0.482 162 G N 3.379 112.188 108.800 0.016 0.000 2.213 162 G HA2 -0.025 3.935 3.960 0.000 0.000 0.236 162 G HA3 -0.025 3.935 3.960 0.000 0.000 0.236 162 G C 1.009 175.879 174.900 -0.049 0.000 0.991 162 G CA 0.293 45.389 45.100 -0.006 0.000 0.629 162 G HN 2.105 nan 8.290 nan 0.000 0.517 163 G N 0.152 108.935 108.800 -0.029 0.000 2.594 163 G HA2 -0.282 3.679 3.960 0.000 0.000 0.297 163 G HA3 -0.282 3.679 3.960 0.000 0.000 0.297 163 G C 1.189 176.025 174.900 -0.107 0.000 1.273 163 G CA 1.271 46.349 45.100 -0.038 0.000 0.974 163 G HN 1.085 nan 8.290 nan 0.000 0.552 164 M N 1.510 121.012 119.600 -0.164 0.000 2.460 164 M HA -0.017 4.463 4.480 0.000 0.000 0.263 164 M C 2.702 178.656 176.300 -0.577 0.000 1.071 164 M CA 1.721 56.786 55.300 -0.392 0.000 1.096 164 M CB -0.225 32.258 32.600 -0.196 0.000 1.408 164 M HN 0.719 nan 8.290 nan 0.000 0.463 165 S N -0.584 114.830 115.700 -0.476 0.000 2.603 165 S HA -0.063 4.407 4.470 0.000 0.000 0.229 165 S C 1.651 176.118 174.600 -0.221 0.000 0.972 165 S CA 1.131 58.949 58.200 -0.637 0.000 0.935 165 S CB -0.931 61.885 63.200 -0.640 0.000 0.769 165 S HN 0.576 nan 8.310 nan 0.000 0.536 166 T N -0.703 113.713 114.554 -0.230 0.000 3.088 166 T HA 0.031 4.381 4.350 0.000 0.000 0.259 166 T C 1.373 175.886 174.700 -0.312 0.000 1.122 166 T CA 0.819 62.806 62.100 -0.190 0.000 1.095 166 T CB -0.672 68.177 68.868 -0.031 0.000 0.930 166 T HN 0.900 nan 8.240 nan 0.000 0.508 167 H N -1.853 117.136 119.070 -0.134 0.000 3.398 167 H HA 0.211 4.769 4.556 0.002 0.000 0.260 167 H C 0.489 176.009 175.328 0.320 0.000 1.189 167 H CA -1.060 55.046 56.048 0.097 0.000 1.145 167 H CB -0.395 29.430 29.762 0.105 0.000 1.599 167 H HN 0.497 nan 8.280 nan 0.000 0.615 168 W N 2.702 123.979 121.300 -0.038 0.000 2.079 168 W HA 0.293 4.953 4.660 -0.001 0.000 0.354 168 W C -0.019 176.603 176.519 0.172 0.000 1.302 168 W CA -0.162 57.257 57.345 0.123 0.000 1.281 168 W CB -0.021 29.438 29.460 -0.002 0.000 1.165 168 W HN -0.188 nan 8.180 nan 0.000 0.603 169 T N 1.077 115.586 114.554 -0.075 0.000 3.067 169 T HA -0.027 4.323 4.350 0.000 0.000 0.261 169 T C 1.053 175.332 174.700 -0.702 0.000 1.110 169 T CA 1.302 63.192 62.100 -0.350 0.000 1.113 169 T CB -0.476 68.349 68.868 -0.072 0.000 0.917 169 T HN 0.683 nan 8.240 nan 0.000 0.499 170 C N 0.906 119.461 119.300 -1.242 0.000 4.617 170 C HA -0.100 4.361 4.460 0.000 0.000 0.260 170 C C 1.097 175.609 174.990 -0.796 0.000 1.288 170 C CA -0.873 57.127 59.018 -1.698 0.000 1.668 170 C CB -2.687 24.526 27.740 -0.879 0.000 1.518 170 C HN 0.772 nan 8.230 nan 0.000 0.708 171 A N 1.267 123.817 122.820 -0.450 0.000 2.444 171 A HA 0.515 4.835 4.320 0.000 0.000 0.273 171 A C 0.802 178.291 177.584 -0.158 0.000 1.136 171 A CA 1.278 53.192 52.037 -0.205 0.000 0.799 171 A CB 0.107 19.049 19.000 -0.097 0.000 1.081 171 A HN 1.402 nan 8.150 nan 0.000 0.509 172 T N 1.852 116.330 114.554 -0.127 0.000 3.401 172 T HA 0.526 4.876 4.350 0.000 0.000 0.341 172 T C -2.724 171.922 174.700 -0.090 0.000 1.674 172 T CA -1.530 60.530 62.100 -0.065 0.000 1.600 172 T CB 0.708 69.566 68.868 -0.017 0.000 0.974 172 T HN 0.452 nan 8.240 nan 0.000 0.672 173 P HA 0.390 nan 4.420 nan 0.000 0.281 173 P C -0.192 176.957 177.300 -0.253 0.000 1.249 173 P CA -0.660 62.333 63.100 -0.179 0.000 0.810 173 P CB 1.187 32.754 31.700 -0.222 0.000 1.008 174 R N 1.083 121.351 120.500 -0.387 0.000 2.582 174 R HA 0.374 4.714 4.340 0.000 0.000 0.271 174 R C 0.084 176.241 176.300 -0.237 0.000 1.078 174 R CA -0.358 55.303 56.100 -0.731 0.000 1.127 174 R CB 0.162 29.893 30.300 -0.948 0.000 1.038 174 R HN 0.381 nan 8.270 nan 0.000 0.500 175 F N 1.849 121.552 119.950 -0.413 0.000 2.384 175 F HA 0.066 4.593 4.527 0.000 0.000 0.338 175 F C 0.973 176.575 175.800 -0.330 0.000 1.103 175 F CA -1.671 56.117 58.000 -0.353 0.000 1.157 175 F CB 0.300 39.083 39.000 -0.360 0.000 1.167 175 F HN 0.540 nan 8.300 nan 0.000 0.529 176 D N 2.240 122.564 120.400 -0.127 0.000 2.398 176 D HA 0.112 4.752 4.640 0.000 0.000 0.247 176 D C 0.973 177.182 176.300 -0.151 0.000 1.227 176 D CA -0.421 53.501 54.000 -0.130 0.000 0.980 176 D CB 0.599 41.334 40.800 -0.108 0.000 1.106 176 D HN 0.490 nan 8.370 nan 0.000 0.493 177 R N -0.334 120.103 120.500 -0.105 0.000 2.105 177 R HA -0.182 4.159 4.340 0.000 0.000 0.239 177 R C 2.023 178.270 176.300 -0.088 0.000 1.135 177 R CA 1.637 57.683 56.100 -0.091 0.000 0.967 177 R CB -0.314 29.969 30.300 -0.028 0.000 0.861 177 R HN 0.684 nan 8.270 nan 0.000 0.442 178 E N 0.959 121.106 120.200 -0.088 0.000 2.209 178 E HA -0.221 4.129 4.350 0.000 0.000 0.196 178 E C 1.356 177.857 176.600 -0.165 0.000 0.993 178 E CA 1.223 57.581 56.400 -0.070 0.000 0.819 178 E CB 0.212 29.924 29.700 0.021 0.000 0.745 178 E HN 0.411 nan 8.360 nan 0.000 0.477 179 Q N -0.673 118.940 119.800 -0.311 0.000 2.282 179 Q HA 0.169 4.509 4.340 0.000 0.000 0.206 179 Q C 0.172 176.090 176.000 -0.137 0.000 0.878 179 Q CA -0.166 55.394 55.803 -0.406 0.000 0.944 179 Q CB 0.819 29.012 28.738 -0.910 0.000 1.100 179 Q HN -0.050 nan 8.270 nan 0.000 0.509 180 R N 1.949 122.403 120.500 -0.075 0.000 2.637 180 R HA 0.352 4.692 4.340 0.000 0.000 0.291 180 R C -2.590 173.701 176.300 -0.015 0.000 0.963 180 R CA -2.090 53.960 56.100 -0.083 0.000 0.901 180 R CB 1.332 31.385 30.300 -0.412 0.000 1.160 180 R HN -0.112 nan 8.270 nan 0.000 0.457 181 P HA 0.078 nan 4.420 nan 0.000 0.274 181 P C -0.552 176.924 177.300 0.293 0.000 1.231 181 P CA -0.221 62.975 63.100 0.160 0.000 0.790 181 P CB 0.818 32.607 31.700 0.149 0.000 0.951 182 L N 2.324 123.687 121.223 0.233 0.000 2.416 182 L HA 0.120 4.460 4.340 0.000 0.000 0.272 182 L C 1.756 178.782 176.870 0.260 0.000 1.161 182 L CA -0.126 54.914 54.840 0.332 0.000 0.845 182 L CB 0.139 42.436 42.059 0.396 0.000 1.119 182 L HN 0.376 nan 8.230 nan 0.000 0.464 183 L N 3.258 124.652 121.223 0.286 0.000 2.575 183 L HA 0.217 4.557 4.340 0.000 0.000 0.228 183 L C -0.222 176.811 176.870 0.272 0.000 1.075 183 L CA 0.158 55.057 54.840 0.098 0.000 0.867 183 L CB 0.764 42.660 42.059 -0.271 0.000 1.097 183 L HN 0.327 nan 8.230 nan 0.000 0.485 184 V N 1.121 121.206 119.914 0.284 0.000 2.638 184 V HA 0.258 4.378 4.120 0.000 0.000 0.306 184 V C -0.470 175.720 176.094 0.159 0.000 1.052 184 V CA -0.980 61.429 62.300 0.182 0.000 0.885 184 V CB 1.914 33.793 31.823 0.093 0.000 0.999 184 V HN 0.144 nan 8.190 nan 0.000 0.424 185 K N 2.220 122.603 120.400 -0.028 0.000 2.143 185 K HA 0.522 4.842 4.320 0.000 0.000 0.272 185 K C -0.573 175.999 176.600 -0.048 0.000 1.001 185 K CA -0.514 55.713 56.287 -0.100 0.000 0.915 185 K CB 1.117 33.364 32.500 -0.421 0.000 1.047 185 K HN 0.632 nan 8.250 nan 0.000 0.458 186 D N 0.651 121.046 120.400 -0.008 0.000 2.981 186 D HA -0.142 4.498 4.640 0.000 0.000 0.223 186 D C -0.905 175.402 176.300 0.011 0.000 1.151 186 D CA 1.386 55.384 54.000 -0.003 0.000 0.827 186 D CB -0.789 39.994 40.800 -0.028 0.000 1.101 186 D HN 0.799 nan 8.370 nan 0.000 0.426 187 D N -1.269 119.150 120.400 0.031 0.000 2.362 187 D HA 0.393 5.034 4.640 0.000 0.000 0.228 187 D C 0.782 177.117 176.300 0.059 0.000 1.326 187 D CA 0.243 54.265 54.000 0.036 0.000 0.927 187 D CB 0.462 41.278 40.800 0.027 0.000 1.501 187 D HN -0.012 nan 8.370 nan 0.000 0.519 188 A N 2.538 125.394 122.820 0.060 0.000 1.930 188 A HA -0.118 4.202 4.320 0.000 0.000 0.217 188 A C 1.636 179.267 177.584 0.079 0.000 1.175 188 A CA 1.274 53.357 52.037 0.077 0.000 0.627 188 A CB 0.003 19.040 19.000 0.063 0.000 0.815 188 A HN 0.497 nan 8.150 nan 0.000 0.443 189 D N 0.246 120.682 120.400 0.061 0.000 2.144 189 D HA -0.061 4.579 4.640 0.000 0.000 0.200 189 D C 2.223 178.562 176.300 0.064 0.000 0.978 189 D CA 1.404 55.439 54.000 0.058 0.000 0.833 189 D CB -0.302 40.523 40.800 0.042 0.000 0.961 189 D HN 0.437 nan 8.370 nan 0.000 0.470 190 A N 1.127 123.982 122.820 0.058 0.000 1.902 190 A HA -0.216 4.104 4.320 0.000 0.000 0.217 190 A C 1.978 179.607 177.584 0.074 0.000 1.181 190 A CA 1.995 54.063 52.037 0.052 0.000 0.623 190 A CB -0.603 18.420 19.000 0.038 0.000 0.818 190 A HN 0.155 nan 8.150 nan 0.000 0.443 191 D N -0.210 120.256 120.400 0.110 0.000 2.092 191 D HA -0.175 4.465 4.640 0.000 0.000 0.193 191 D C 1.313 177.768 176.300 0.258 0.000 0.994 191 D CA 1.657 55.767 54.000 0.184 0.000 0.828 191 D CB -0.157 40.780 40.800 0.228 0.000 0.963 191 D HN 0.351 nan 8.370 nan 0.000 0.450 192 D N -0.179 120.345 120.400 0.205 0.000 2.116 192 D HA -0.175 4.465 4.640 0.000 0.000 0.193 192 D C 1.992 178.400 176.300 0.180 0.000 0.998 192 D CA 1.617 55.737 54.000 0.201 0.000 0.836 192 D CB -0.651 40.223 40.800 0.123 0.000 0.951 192 D HN 0.346 nan 8.370 nan 0.000 0.449 193 A N 0.498 123.386 122.820 0.113 0.000 1.933 193 A HA -0.196 4.124 4.320 0.000 0.000 0.218 193 A C 2.132 179.747 177.584 0.050 0.000 1.175 193 A CA 1.886 53.967 52.037 0.074 0.000 0.628 193 A CB -0.445 18.581 19.000 0.044 0.000 0.814 193 A HN 0.169 nan 8.150 nan 0.000 0.444 194 E N -0.892 119.321 120.200 0.021 0.000 2.046 194 E HA -0.161 4.189 4.350 0.000 0.000 0.190 194 E C 1.669 178.184 176.600 -0.142 0.000 0.982 194 E CA 1.323 57.667 56.400 -0.093 0.000 0.800 194 E CB -0.487 29.112 29.700 -0.170 0.000 0.756 194 E HN 0.705 nan 8.360 nan 0.000 0.449 195 W N 0.910 122.172 121.300 -0.062 0.000 2.338 195 W HA -0.138 4.522 4.660 0.001 0.000 0.304 195 W C 2.166 178.674 176.519 -0.018 0.000 1.212 195 W CA 1.390 58.663 57.345 -0.120 0.000 1.264 195 W CB -0.433 29.000 29.460 -0.044 0.000 1.142 195 W HN 0.242 nan 8.180 nan 0.000 0.512 196 D N -0.084 120.489 120.400 0.288 0.000 2.117 196 D HA -0.214 4.426 4.640 0.000 0.000 0.197 196 D C 2.150 178.522 176.300 0.121 0.000 0.987 196 D CA 1.479 55.614 54.000 0.224 0.000 0.829 196 D CB -0.233 40.657 40.800 0.149 0.000 0.961 196 D HN -0.023 nan 8.370 nan 0.000 0.460 197 R N -0.302 120.220 120.500 0.037 0.000 2.073 197 R HA -0.088 4.252 4.340 0.000 0.000 0.234 197 R C 2.441 178.698 176.300 -0.072 0.000 1.134 197 R CA 1.152 57.238 56.100 -0.024 0.000 0.952 197 R CB -0.303 29.963 30.300 -0.056 0.000 0.850 197 R HN 0.267 nan 8.270 nan 0.000 0.433 198 L N -0.616 120.527 121.223 -0.133 0.000 2.056 198 L HA -0.167 4.173 4.340 0.000 0.000 0.207 198 L C 2.294 179.084 176.870 -0.132 0.000 1.078 198 L CA 1.093 55.800 54.840 -0.223 0.000 0.749 198 L CB -0.541 41.280 42.059 -0.397 0.000 0.901 198 L HN 0.205 nan 8.230 nan 0.000 0.433 199 Y N 0.274 120.571 120.300 -0.005 0.000 2.293 199 Y HA -0.203 4.347 4.550 0.000 0.000 0.291 199 Y C 2.847 178.724 175.900 -0.039 0.000 1.137 199 Y CA 1.389 59.493 58.100 0.006 0.000 1.202 199 Y CB -1.015 37.478 38.460 0.055 0.000 0.990 199 Y HN 0.129 nan 8.280 nan 0.000 0.537 200 T N -0.470 114.156 114.554 0.120 0.000 2.777 200 T HA -0.194 4.156 4.350 0.000 0.000 0.266 200 T C 1.968 176.639 174.700 -0.050 0.000 1.040 200 T CA 1.604 63.727 62.100 0.038 0.000 1.141 200 T CB -0.134 68.749 68.868 0.024 0.000 0.868 200 T HN 0.204 nan 8.240 nan 0.000 0.444 201 K N 0.898 121.210 120.400 -0.147 0.000 2.057 201 K HA 0.019 4.339 4.320 0.000 0.000 0.206 201 K C 2.505 178.779 176.600 -0.543 0.000 1.050 201 K CA 1.102 57.172 56.287 -0.361 0.000 0.935 201 K CB -0.298 31.938 32.500 -0.439 0.000 0.715 201 K HN 0.261 nan 8.250 nan 0.000 0.439 202 A N 1.274 123.892 122.820 -0.337 0.000 1.902 202 A HA -0.219 4.101 4.320 0.000 0.000 0.217 202 A C 1.844 179.439 177.584 0.018 0.000 1.181 202 A CA 1.836 53.747 52.037 -0.210 0.000 0.623 202 A CB -0.545 18.450 19.000 -0.007 0.000 0.818 202 A HN 0.455 nan 8.150 nan 0.000 0.443 203 E N -0.530 119.721 120.200 0.085 0.000 2.118 203 E HA -0.165 4.185 4.350 0.000 0.000 0.195 203 E C 2.277 178.964 176.600 0.144 0.000 0.992 203 E CA 1.236 57.726 56.400 0.151 0.000 0.804 203 E CB -0.184 29.575 29.700 0.097 0.000 0.741 203 E HN 0.621 nan 8.360 nan 0.000 0.458 204 S N -0.273 115.468 115.700 0.069 0.000 2.356 204 S HA -0.174 4.296 4.470 0.000 0.000 0.223 204 S C 1.878 176.632 174.600 0.257 0.000 1.032 204 S CA 0.952 59.224 58.200 0.121 0.000 1.005 204 S CB -0.258 62.986 63.200 0.073 0.000 0.867 204 S HN 0.260 nan 8.310 nan 0.000 0.449 205 Y N 0.345 120.655 120.300 0.017 0.000 2.151 205 Y HA -0.050 4.500 4.550 -0.000 0.000 0.284 205 Y C 2.142 178.060 175.900 0.030 0.000 1.166 205 Y CA 0.556 58.630 58.100 -0.042 0.000 1.163 205 Y CB -1.218 37.136 38.460 -0.176 0.000 0.974 205 Y HN 0.341 nan 8.280 nan 0.000 0.511 206 F N 0.030 120.135 119.950 0.259 0.000 2.743 206 F HA 0.040 4.567 4.527 0.001 0.000 0.297 206 F C 0.798 176.712 175.800 0.189 0.000 1.131 206 F CA 0.179 58.322 58.000 0.238 0.000 1.426 206 F CB -0.297 38.865 39.000 0.270 0.000 1.116 206 F HN -0.006 nan 8.300 nan 0.000 0.583 207 Q N 0.621 120.612 119.800 0.319 0.000 2.463 207 Q HA -0.188 4.152 4.340 0.000 0.000 0.299 207 Q C 0.019 176.111 176.000 0.153 0.000 1.353 207 Q CA 0.732 56.650 55.803 0.191 0.000 0.828 207 Q CB -2.635 26.192 28.738 0.149 0.000 1.157 207 Q HN 0.208 nan 8.270 nan 0.000 0.436 208 T N -0.050 114.606 114.554 0.169 0.000 2.916 208 T HA 0.490 4.841 4.350 0.000 0.000 0.303 208 T C 0.780 175.516 174.700 0.061 0.000 1.025 208 T CA 0.503 62.666 62.100 0.106 0.000 1.142 208 T CB 1.383 70.319 68.868 0.115 0.000 0.947 208 T HN 0.488 nan 8.240 nan 0.000 0.544 209 G N 0.516 109.337 108.800 0.035 0.000 2.695 209 G HA2 0.555 4.516 3.960 0.000 0.000 0.290 209 G HA3 0.555 4.516 3.960 0.000 0.000 0.290 209 G C 0.109 175.026 174.900 0.030 0.000 1.410 209 G CA -0.590 44.524 45.100 0.023 0.000 0.844 209 G HN 0.637 nan 8.290 nan 0.000 0.478 210 T N -2.582 111.993 114.554 0.035 0.000 3.275 210 T HA 0.245 4.595 4.350 0.000 0.000 0.298 210 T C 0.145 174.890 174.700 0.075 0.000 0.988 210 T CA 0.536 62.671 62.100 0.058 0.000 0.936 210 T CB 0.394 69.294 68.868 0.054 0.000 1.159 210 T HN 0.490 nan 8.240 nan 0.000 0.519 211 D N 0.460 120.888 120.400 0.046 0.000 2.500 211 D HA 0.061 4.701 4.640 0.000 0.000 0.217 211 D C 1.305 177.587 176.300 -0.030 0.000 1.159 211 D CA -0.068 53.949 54.000 0.029 0.000 0.828 211 D CB -0.082 40.718 40.800 -0.000 0.000 1.039 211 D HN 0.269 nan 8.370 nan 0.000 0.512 212 Q N -0.368 119.403 119.800 -0.048 0.000 2.437 212 Q HA 0.126 4.466 4.340 0.000 0.000 0.210 212 Q C 0.338 176.015 176.000 -0.539 0.000 0.972 212 Q CA 0.882 56.527 55.803 -0.263 0.000 0.903 212 Q CB -0.281 28.273 28.738 -0.307 0.000 0.967 212 Q HN 0.270 nan 8.270 nan 0.000 0.486 213 F N 0.039 119.854 119.950 -0.226 0.000 2.654 213 F HA 0.216 4.743 4.527 0.001 0.000 0.303 213 F C 1.273 176.948 175.800 -0.208 0.000 1.099 213 F CA -0.476 57.339 58.000 -0.309 0.000 1.270 213 F CB 0.286 38.956 39.000 -0.551 0.000 1.024 213 F HN 0.014 nan 8.300 nan 0.000 0.548 214 K N 0.005 120.405 120.400 0.000 0.000 2.360 214 K HA -0.092 4.228 4.320 0.000 0.000 0.201 214 K C 0.676 177.341 176.600 0.109 0.000 1.046 214 K CA 1.448 57.815 56.287 0.133 0.000 0.945 214 K CB -0.112 32.433 32.500 0.075 0.000 0.750 214 K HN 0.201 nan 8.250 nan 0.000 0.464 215 E N 1.369 121.520 120.200 -0.082 0.000 2.463 215 E HA 0.018 4.368 4.350 0.000 0.000 0.193 215 E C -0.214 176.397 176.600 0.018 0.000 1.041 215 E CA -0.006 56.223 56.400 -0.285 0.000 0.879 215 E CB 0.769 30.190 29.700 -0.464 0.000 0.997 215 E HN 0.224 nan 8.360 nan 0.000 0.478 216 S N 0.973 116.761 115.700 0.146 0.000 2.499 216 S HA 0.196 4.667 4.470 0.000 0.000 0.275 216 S C 1.293 176.001 174.600 0.181 0.000 1.257 216 S CA -0.466 57.830 58.200 0.161 0.000 1.050 216 S CB 0.418 63.744 63.200 0.209 0.000 0.937 216 S HN 0.087 nan 8.310 nan 0.000 0.490 217 I N 5.012 125.542 120.570 -0.068 0.000 2.252 217 I HA -0.159 4.011 4.170 0.000 0.000 0.245 217 I C 2.648 178.649 176.117 -0.193 0.000 1.102 217 I CA 1.128 62.145 61.300 -0.471 0.000 1.385 217 I CB -0.183 37.309 38.000 -0.847 0.000 1.064 217 I HN 0.700 nan 8.210 nan 0.000 0.414 218 R N -0.515 119.945 120.500 -0.067 0.000 2.081 218 R HA -0.231 4.110 4.340 0.000 0.000 0.235 218 R C 2.349 178.719 176.300 0.115 0.000 1.131 218 R CA 1.699 57.812 56.100 0.021 0.000 0.960 218 R CB -0.668 29.644 30.300 0.020 0.000 0.856 218 R HN 0.430 nan 8.270 nan 0.000 0.436 219 H N 1.168 120.277 119.070 0.066 0.000 2.293 219 H HA -0.034 4.522 4.556 -0.000 0.000 0.300 219 H C 1.803 177.210 175.328 0.132 0.000 1.082 219 H CA 1.805 57.909 56.048 0.094 0.000 1.308 219 H CB -0.102 29.748 29.762 0.146 0.000 1.375 219 H HN 0.102 nan 8.280 nan 0.000 0.495 220 N N 0.122 118.927 118.700 0.176 0.000 2.188 220 N HA -0.129 4.611 4.740 0.000 0.000 0.184 220 N C 2.062 177.693 175.510 0.201 0.000 1.018 220 N CA 1.036 54.196 53.050 0.185 0.000 0.858 220 N CB -0.312 38.467 38.487 0.487 0.000 0.989 220 N HN 0.309 nan 8.380 nan 0.000 0.426 221 L N 1.362 122.753 121.223 0.279 0.000 2.013 221 L HA -0.146 4.194 4.340 0.000 0.000 0.212 221 L C 2.135 179.060 176.870 0.092 0.000 1.073 221 L CA 1.449 56.435 54.840 0.243 0.000 0.753 221 L CB -0.613 41.573 42.059 0.212 0.000 0.890 221 L HN -0.104 nan 8.230 nan 0.000 0.432 222 V N -0.889 119.047 119.914 0.036 0.000 2.323 222 V HA -0.234 3.887 4.120 0.000 0.000 0.244 222 V C 2.421 178.459 176.094 -0.094 0.000 1.041 222 V CA 1.566 63.857 62.300 -0.014 0.000 1.025 222 V CB -0.610 31.194 31.823 -0.032 0.000 0.656 222 V HN 0.512 nan 8.190 nan 0.000 0.451 223 L N 0.978 122.115 121.223 -0.144 0.000 2.012 223 L HA -0.187 4.154 4.340 0.000 0.000 0.210 223 L C 2.182 178.980 176.870 -0.120 0.000 1.073 223 L CA 2.122 56.859 54.840 -0.172 0.000 0.748 223 L CB -0.902 41.008 42.059 -0.247 0.000 0.891 223 L HN 0.314 nan 8.230 nan 0.000 0.431 224 N N -0.235 118.431 118.700 -0.056 0.000 2.188 224 N HA -0.191 4.550 4.740 0.000 0.000 0.184 224 N C 1.833 177.310 175.510 -0.055 0.000 1.018 224 N CA 1.239 54.269 53.050 -0.035 0.000 0.858 224 N CB -0.294 38.185 38.487 -0.012 0.000 0.989 224 N HN 0.278 nan 8.380 nan 0.000 0.426 225 K N 1.296 121.664 120.400 -0.053 0.000 2.057 225 K HA 0.070 4.390 4.320 0.000 0.000 0.206 225 K C 1.917 178.465 176.600 -0.086 0.000 1.050 225 K CA 0.867 57.125 56.287 -0.048 0.000 0.935 225 K CB -0.446 32.045 32.500 -0.015 0.000 0.715 225 K HN 0.113 nan 8.250 nan 0.000 0.439 226 L N 0.010 121.115 121.223 -0.197 0.000 2.093 226 L HA -0.157 4.183 4.340 0.000 0.000 0.208 226 L C 2.234 178.939 176.870 -0.276 0.000 1.085 226 L CA 1.629 56.238 54.840 -0.384 0.000 0.755 226 L CB -0.693 40.742 42.059 -1.040 0.000 0.904 226 L HN 0.225 nan 8.230 nan 0.000 0.435 227 T N -0.868 113.572 114.554 -0.190 0.000 2.746 227 T HA -0.247 4.103 4.350 0.000 0.000 0.267 227 T C 1.779 176.532 174.700 0.087 0.000 1.039 227 T CA 1.697 63.839 62.100 0.069 0.000 1.142 227 T CB -0.101 68.810 68.868 0.071 0.000 0.866 227 T HN 0.436 nan 8.240 nan 0.000 0.444 228 E N 0.705 120.915 120.200 0.016 0.000 2.047 228 E HA -0.174 4.176 4.350 0.000 0.000 0.191 228 E C 2.073 178.673 176.600 -0.001 0.000 0.987 228 E CA 0.982 57.385 56.400 0.004 0.000 0.799 228 E CB 0.025 29.709 29.700 -0.027 0.000 0.752 228 E HN 0.340 nan 8.360 nan 0.000 0.449 229 E N -0.251 119.936 120.200 -0.023 0.000 2.153 229 E HA -0.170 4.181 4.350 0.000 0.000 0.194 229 E C 0.958 177.430 176.600 -0.213 0.000 0.988 229 E CA 0.991 57.310 56.400 -0.135 0.000 0.811 229 E CB -0.082 29.500 29.700 -0.198 0.000 0.746 229 E HN 0.502 nan 8.360 nan 0.000 0.466 230 Y N 1.227 121.564 120.300 0.061 0.000 2.658 230 Y HA 0.100 4.649 4.550 -0.000 0.000 0.276 230 Y C 0.051 176.007 175.900 0.095 0.000 1.167 230 Y CA -0.592 57.577 58.100 0.114 0.000 1.230 230 Y CB -0.031 38.584 38.460 0.259 0.000 1.144 230 Y HN -0.132 nan 8.280 nan 0.000 0.529 231 K N 0.103 120.592 120.400 0.149 0.000 2.362 231 K HA 0.009 4.329 4.320 0.000 0.000 0.261 231 K C 1.180 177.839 176.600 0.097 0.000 1.195 231 K CA 1.073 57.421 56.287 0.102 0.000 1.233 231 K CB -0.663 31.863 32.500 0.043 0.000 0.795 231 K HN 0.496 nan 8.250 nan 0.000 0.498 232 G N 2.537 111.398 108.800 0.102 0.000 2.162 232 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 232 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 232 G C 0.579 175.533 174.900 0.089 0.000 0.976 232 G CA 0.683 45.830 45.100 0.079 0.000 0.655 232 G HN 0.739 nan 8.290 nan 0.000 0.533 233 Q N -1.411 118.470 119.800 0.135 0.000 2.477 233 Q HA 0.279 4.620 4.340 0.000 0.000 0.252 233 Q C 1.172 177.228 176.000 0.092 0.000 0.869 233 Q CA 0.222 56.105 55.803 0.133 0.000 0.969 233 Q CB 0.987 29.847 28.738 0.203 0.000 1.144 233 Q HN 0.477 nan 8.270 nan 0.000 0.577 234 R N 0.540 121.097 120.500 0.096 0.000 2.668 234 R HA 0.366 4.706 4.340 0.000 0.000 0.272 234 R C -1.637 174.638 176.300 -0.042 0.000 1.019 234 R CA -0.628 55.416 56.100 -0.093 0.000 0.894 234 R CB 1.829 31.857 30.300 -0.455 0.000 1.228 234 R HN -0.009 nan 8.270 nan 0.000 0.460 235 D N 1.723 122.022 120.400 -0.168 0.000 2.192 235 D HA 0.403 5.043 4.640 0.000 0.000 0.246 235 D C -0.749 175.352 176.300 -0.332 0.000 1.042 235 D CA -0.005 53.942 54.000 -0.087 0.000 0.847 235 D CB 1.504 42.283 40.800 -0.036 0.000 1.186 235 D HN 0.130 nan 8.370 nan 0.000 0.461 236 F N 0.847 120.795 119.950 -0.004 0.000 2.522 236 F HA 0.363 4.890 4.527 -0.000 0.000 0.324 236 F C 0.649 176.453 175.800 0.006 0.000 1.077 236 F CA -0.671 57.321 58.000 -0.012 0.000 0.944 236 F CB 1.836 40.825 39.000 -0.019 0.000 1.175 236 F HN 0.208 nan 8.300 nan 0.000 0.468 237 Q N 0.153 120.054 119.800 0.169 0.000 2.648 237 Q HA 0.359 4.699 4.340 0.000 0.000 0.300 237 Q C -1.498 174.591 176.000 0.149 0.000 0.954 237 Q CA -1.291 54.590 55.803 0.130 0.000 0.757 237 Q CB 1.825 30.612 28.738 0.082 0.000 1.482 237 Q HN 0.636 nan 8.270 nan 0.000 0.437 238 Q N 0.857 120.769 119.800 0.186 0.000 2.364 238 Q HA 0.213 4.553 4.340 0.000 0.000 0.267 238 Q C -0.539 175.531 176.000 0.118 0.000 0.999 238 Q CA -0.177 55.765 55.803 0.231 0.000 0.886 238 Q CB 0.533 29.417 28.738 0.243 0.000 1.243 238 Q HN 0.594 nan 8.270 nan 0.000 0.415 239 I N 6.308 126.925 120.570 0.078 0.000 2.741 239 I HA -0.035 4.135 4.170 0.000 0.000 0.288 239 I C -1.979 174.152 176.117 0.022 0.000 1.192 239 I CA -1.466 59.852 61.300 0.029 0.000 1.426 239 I CB 0.280 38.264 38.000 -0.027 0.000 1.367 239 I HN 0.469 nan 8.210 nan 0.000 0.563 240 P HA 0.258 nan 4.420 nan 0.000 0.276 240 P C -0.970 176.317 177.300 -0.022 0.000 1.243 240 P CA 0.070 63.169 63.100 -0.001 0.000 0.768 240 P CB 0.499 32.185 31.700 -0.022 0.000 0.856 241 L N 2.334 123.555 121.223 -0.002 0.000 2.386 241 L HA 0.651 4.992 4.340 0.000 0.000 0.271 241 L C 0.288 177.149 176.870 -0.015 0.000 0.993 241 L CA -1.151 53.681 54.840 -0.013 0.000 0.819 241 L CB 2.122 44.236 42.059 0.093 0.000 1.294 241 L HN 0.240 nan 8.230 nan 0.000 0.414 242 A N 3.033 125.805 122.820 -0.080 0.000 2.666 242 A HA 0.774 5.094 4.320 0.000 0.000 0.312 242 A C 0.007 177.615 177.584 0.041 0.000 1.471 242 A CA 0.076 52.114 52.037 0.001 0.000 1.134 242 A CB -0.321 18.631 19.000 -0.080 0.000 1.129 242 A HN 0.794 nan 8.150 nan 0.000 0.539 243 A N 1.827 124.640 122.820 -0.011 0.000 2.590 243 A HA 0.733 5.053 4.320 0.000 0.000 0.294 243 A C -0.514 176.959 177.584 -0.186 0.000 1.046 243 A CA -0.461 51.468 52.037 -0.180 0.000 0.684 243 A CB 0.785 19.489 19.000 -0.494 0.000 1.279 243 A HN 0.621 nan 8.150 nan 0.000 0.415 244 T N 1.449 115.862 114.554 -0.234 0.000 2.840 244 T HA 0.486 4.836 4.350 0.000 0.000 0.287 244 T C -0.049 174.496 174.700 -0.257 0.000 0.991 244 T CA -0.412 61.578 62.100 -0.184 0.000 0.964 244 T CB 1.192 70.010 68.868 -0.083 0.000 0.954 244 T HN 0.720 nan 8.240 nan 0.000 0.438 245 R N 2.171 122.507 120.500 -0.273 0.000 2.442 245 R HA 0.261 4.601 4.340 0.000 0.000 0.291 245 R C 0.749 176.961 176.300 -0.147 0.000 1.069 245 R CA -0.354 55.575 56.100 -0.284 0.000 1.022 245 R CB 0.392 30.493 30.300 -0.331 0.000 0.976 245 R HN 0.387 nan 8.270 nan 0.000 0.443 246 R N 0.960 121.420 120.500 -0.065 0.000 2.279 246 R HA 0.153 4.493 4.340 0.000 0.000 0.195 246 R C 0.101 176.388 176.300 -0.021 0.000 0.905 246 R CA 0.600 56.699 56.100 -0.003 0.000 1.044 246 R CB 0.380 30.746 30.300 0.110 0.000 1.056 246 R HN 0.770 nan 8.270 nan 0.000 0.535 247 S N -1.512 114.176 115.700 -0.021 0.000 2.636 247 S HA 0.381 4.851 4.470 0.000 0.000 0.268 247 S C -2.668 171.889 174.600 -0.072 0.000 1.159 247 S CA -1.040 57.138 58.200 -0.037 0.000 0.815 247 S CB 2.156 65.357 63.200 0.002 0.000 1.130 247 S HN -0.259 nan 8.310 nan 0.000 0.471 248 P HA 0.061 nan 4.420 nan 0.000 0.228 248 P C 0.877 178.136 177.300 -0.069 0.000 1.151 248 P CA 1.447 64.490 63.100 -0.096 0.000 0.770 248 P CB -0.189 31.468 31.700 -0.071 0.000 0.786 249 T N -6.499 108.049 114.554 -0.010 0.000 3.170 249 T HA 0.324 4.674 4.350 0.000 0.000 0.288 249 T C -0.308 174.445 174.700 0.089 0.000 0.992 249 T CA -0.368 61.749 62.100 0.028 0.000 0.909 249 T CB -0.612 68.292 68.868 0.060 0.000 1.133 249 T HN -0.129 nan 8.240 nan 0.000 0.530 250 F N 1.386 121.272 119.950 -0.108 0.000 2.573 250 F HA 0.657 5.184 4.527 0.001 0.000 0.316 250 F C -1.658 174.013 175.800 -0.214 0.000 1.148 250 F CA -1.057 56.877 58.000 -0.110 0.000 0.940 250 F CB 1.969 40.924 39.000 -0.076 0.000 1.214 250 F HN -0.089 nan 8.300 nan 0.000 0.448 251 V N 5.011 124.454 119.914 -0.786 0.000 2.540 251 V HA 0.306 4.426 4.120 0.000 0.000 0.302 251 V C -0.462 175.076 176.094 -0.928 0.000 1.035 251 V CA -0.847 60.958 62.300 -0.825 0.000 0.873 251 V CB 1.755 32.880 31.823 -1.163 0.000 0.992 251 V HN 0.726 nan 8.190 nan 0.000 0.428 252 E N 4.347 124.266 120.200 -0.467 0.000 1.963 252 E HA 0.167 4.517 4.350 0.000 0.000 0.274 252 E C -1.088 175.334 176.600 -0.297 0.000 1.061 252 E CA -0.574 55.709 56.400 -0.196 0.000 0.847 252 E CB 0.412 30.145 29.700 0.054 0.000 1.083 252 E HN 0.632 nan 8.360 nan 0.000 0.402 253 W N 2.740 123.932 121.300 -0.179 0.000 2.210 253 W HA 0.080 4.741 4.660 0.003 0.000 0.330 253 W C 0.767 177.299 176.519 0.021 0.000 1.334 253 W CA -0.459 56.757 57.345 -0.215 0.000 1.227 253 W CB 0.709 29.795 29.460 -0.624 0.000 1.178 253 W HN 0.299 nan 8.180 nan 0.000 0.560 254 S N 1.645 117.552 115.700 0.344 0.000 2.624 254 S HA 0.616 5.086 4.470 0.000 0.000 0.263 254 S C 0.155 175.202 174.600 0.747 0.000 1.287 254 S CA -0.453 58.027 58.200 0.466 0.000 0.990 254 S CB 1.152 64.638 63.200 0.478 0.000 0.950 254 S HN 0.530 nan 8.310 nan 0.000 0.561 255 S N -0.773 115.318 115.700 0.652 0.000 2.655 255 S HA 0.640 5.110 4.470 0.000 0.000 0.266 255 S C 0.707 175.501 174.600 0.325 0.000 1.149 255 S CA -0.328 58.177 58.200 0.508 0.000 0.818 255 S CB 0.431 63.859 63.200 0.379 0.000 1.130 255 S HN 0.793 nan 8.310 nan 0.000 0.476 256 A N 1.765 124.668 122.820 0.139 0.000 1.940 256 A HA -0.249 4.071 4.320 0.000 0.000 0.221 256 A C 2.018 179.646 177.584 0.072 0.000 1.190 256 A CA 2.401 54.477 52.037 0.064 0.000 0.647 256 A CB -1.635 17.374 19.000 0.014 0.000 0.821 256 A HN 0.902 nan 8.150 nan 0.000 0.457 257 N N -0.833 117.920 118.700 0.088 0.000 2.223 257 N HA -0.147 4.593 4.740 0.000 0.000 0.185 257 N C 1.520 177.054 175.510 0.040 0.000 1.016 257 N CA 1.942 55.017 53.050 0.041 0.000 0.863 257 N CB -0.237 38.289 38.487 0.065 0.000 0.983 257 N HN 0.488 nan 8.380 nan 0.000 0.429 258 T N 0.494 115.121 114.554 0.121 0.000 2.746 258 T HA -0.069 4.282 4.350 0.000 0.000 0.267 258 T C 2.069 176.799 174.700 0.050 0.000 1.039 258 T CA 1.213 63.387 62.100 0.123 0.000 1.142 258 T CB -0.231 68.787 68.868 0.250 0.000 0.866 258 T HN 0.057 nan 8.240 nan 0.000 0.444 259 V N -0.486 119.440 119.914 0.021 0.000 2.379 259 V HA 0.171 4.291 4.120 0.000 0.000 0.245 259 V C 0.502 176.555 176.094 -0.068 0.000 1.044 259 V CA 0.957 63.197 62.300 -0.101 0.000 1.036 259 V CB -0.362 31.351 31.823 -0.183 0.000 0.664 259 V HN 0.488 nan 8.190 nan 0.000 0.453 260 F N 0.792 120.617 119.950 -0.207 0.000 2.604 260 F HA 0.394 4.921 4.527 -0.000 0.000 0.316 260 F C 0.080 175.763 175.800 -0.195 0.000 1.136 260 F CA -1.486 56.363 58.000 -0.250 0.000 0.989 260 F CB 1.484 40.282 39.000 -0.337 0.000 1.258 260 F HN 0.147 nan 8.300 nan 0.000 0.451 261 D N 4.458 124.363 120.400 -0.825 0.000 2.355 261 D HA 0.024 4.665 4.640 0.000 0.000 0.218 261 D C 1.146 177.155 176.300 -0.484 0.000 1.004 261 D CA 0.957 54.655 54.000 -0.503 0.000 0.880 261 D CB 0.038 40.606 40.800 -0.387 0.000 0.911 261 D HN 0.663 nan 8.370 nan 0.000 0.528 262 L N -1.855 118.900 121.223 -0.780 0.000 4.759 262 L HA -0.230 4.110 4.340 0.000 0.000 0.419 262 L C -0.286 176.550 176.870 -0.055 0.000 1.093 262 L CA 0.440 55.130 54.840 -0.250 0.000 1.037 262 L CB -1.194 40.857 42.059 -0.013 0.000 2.095 262 L HN 0.226 nan 8.230 nan 0.000 0.739 263 Q N 0.875 120.544 119.800 -0.219 0.000 2.314 263 Q HA 0.256 4.596 4.340 0.000 0.000 0.258 263 Q C 0.329 176.383 176.000 0.091 0.000 0.954 263 Q CA -0.109 55.654 55.803 -0.067 0.000 0.890 263 Q CB 0.768 29.433 28.738 -0.122 0.000 1.210 263 Q HN 0.119 nan 8.270 nan 0.000 0.410 264 N N 1.862 120.614 118.700 0.086 0.000 2.441 264 N HA 0.111 4.851 4.740 0.000 0.000 0.251 264 N C -0.281 175.295 175.510 0.110 0.000 1.242 264 N CA 0.362 53.470 53.050 0.097 0.000 0.898 264 N CB 0.624 39.081 38.487 -0.050 0.000 1.100 264 N HN 0.262 nan 8.380 nan 0.000 0.443 265 R N 1.078 121.671 120.500 0.155 0.000 2.795 265 R HA 0.498 4.838 4.340 0.000 0.000 0.275 265 R C -2.462 173.906 176.300 0.114 0.000 0.981 265 R CA -1.648 54.534 56.100 0.138 0.000 0.917 265 R CB 1.718 32.131 30.300 0.189 0.000 1.202 265 R HN 0.370 nan 8.270 nan 0.000 0.469 266 P HA 0.074 nan 4.420 nan 0.000 0.269 266 P C -1.284 176.069 177.300 0.089 0.000 1.209 266 P CA -0.133 63.055 63.100 0.148 0.000 0.776 266 P CB 0.546 32.371 31.700 0.208 0.000 0.876 267 N N -1.291 117.448 118.700 0.065 0.000 2.934 267 N HA 0.219 4.959 4.740 0.000 0.000 0.253 267 N C 0.495 176.016 175.510 0.020 0.000 1.466 267 N CA -0.764 52.306 53.050 0.033 0.000 0.858 267 N CB -0.499 37.998 38.487 0.016 0.000 1.459 267 N HN 0.032 nan 8.380 nan 0.000 0.532 268 T N -0.506 114.052 114.554 0.006 0.000 2.737 268 T HA -0.136 4.214 4.350 0.000 0.000 0.269 268 T C 0.165 174.863 174.700 -0.004 0.000 1.040 268 T CA 2.189 64.288 62.100 -0.001 0.000 1.142 268 T CB -0.533 68.331 68.868 -0.006 0.000 0.861 268 T HN 0.623 nan 8.240 nan 0.000 0.456 269 D N 0.678 121.074 120.400 -0.008 0.000 2.333 269 D HA 0.309 4.950 4.640 0.000 0.000 0.208 269 D C 0.760 177.058 176.300 -0.004 0.000 0.984 269 D CA 0.474 54.467 54.000 -0.012 0.000 0.873 269 D CB 0.204 40.989 40.800 -0.026 0.000 0.935 269 D HN 0.377 nan 8.370 nan 0.000 0.521 270 A N 0.641 123.468 122.820 0.011 0.000 3.317 270 A HA 0.334 4.655 4.320 0.000 0.000 0.307 270 A C -1.989 175.629 177.584 0.058 0.000 1.003 270 A CA -0.915 51.142 52.037 0.033 0.000 0.882 270 A CB 0.603 19.628 19.000 0.041 0.000 1.136 270 A HN -0.132 nan 8.150 nan 0.000 0.488 271 P HA -0.065 nan 4.420 nan 0.000 0.226 271 P C 0.704 178.036 177.300 0.053 0.000 1.153 271 P CA 1.265 64.385 63.100 0.033 0.000 0.777 271 P CB 0.497 32.190 31.700 -0.012 0.000 0.794 272 E N -0.709 119.538 120.200 0.078 0.000 2.498 272 E HA 0.094 4.445 4.350 0.000 0.000 0.203 272 E C 0.200 176.999 176.600 0.331 0.000 1.013 272 E CA 0.015 56.496 56.400 0.134 0.000 0.927 272 E CB 0.082 29.805 29.700 0.038 0.000 1.012 272 E HN 0.331 nan 8.360 nan 0.000 0.482 273 E N 0.178 120.531 120.200 0.254 0.000 2.250 273 E HA 0.481 4.831 4.350 0.000 0.000 0.269 273 E C -0.422 176.293 176.600 0.191 0.000 1.018 273 E CA -0.637 55.887 56.400 0.206 0.000 0.873 273 E CB 1.522 31.315 29.700 0.155 0.000 1.134 273 E HN -0.100 nan 8.360 nan 0.000 0.403 274 R N 1.838 122.403 120.500 0.109 0.000 2.473 274 R HA 0.431 4.772 4.340 0.000 0.000 0.303 274 R C -1.528 174.865 176.300 0.155 0.000 1.002 274 R CA -0.553 55.572 56.100 0.041 0.000 0.884 274 R CB 1.042 31.240 30.300 -0.170 0.000 1.173 274 R HN 0.410 nan 8.270 nan 0.000 0.464 275 F N 2.303 122.243 119.950 -0.017 0.000 2.605 275 F HA 0.436 4.963 4.527 -0.000 0.000 0.320 275 F C -1.700 174.022 175.800 -0.130 0.000 1.159 275 F CA -0.672 57.299 58.000 -0.047 0.000 0.999 275 F CB 1.958 41.001 39.000 0.073 0.000 1.258 275 F HN 0.387 nan 8.300 nan 0.000 0.464 276 N N 4.875 122.866 118.700 -1.183 0.000 2.296 276 N HA 0.600 5.340 4.740 0.000 0.000 0.294 276 N C -1.971 172.436 175.510 -1.839 0.000 1.033 276 N CA -0.640 51.625 53.050 -1.309 0.000 0.839 276 N CB 2.341 40.225 38.487 -1.006 0.000 1.395 276 N HN 0.586 nan 8.380 nan 0.000 0.479 277 L N 2.330 122.730 121.223 -1.371 0.000 2.309 277 L HA 0.660 5.000 4.340 0.000 0.000 0.282 277 L C -1.644 174.656 176.870 -0.950 0.000 1.036 277 L CA -0.284 54.007 54.840 -0.914 0.000 0.806 277 L CB 0.264 42.152 42.059 -0.286 0.000 1.220 277 L HN 0.450 nan 8.230 nan 0.000 0.429 278 F N 5.961 125.703 119.950 -0.346 0.000 2.532 278 F HA 0.541 5.068 4.527 0.000 0.000 0.365 278 F C -2.206 173.564 175.800 -0.051 0.000 1.112 278 F CA -2.181 55.704 58.000 -0.191 0.000 1.082 278 F CB 0.851 39.720 39.000 -0.219 0.000 1.319 278 F HN 0.399 nan 8.300 nan 0.000 0.457 279 P HA 0.364 nan 4.420 nan 0.000 0.276 279 P C -0.044 177.316 177.300 0.100 0.000 1.252 279 P CA -0.219 62.933 63.100 0.088 0.000 0.802 279 P CB 1.111 32.840 31.700 0.048 0.000 1.035 280 A N -0.729 122.132 122.820 0.068 0.000 2.791 280 A HA -0.098 4.223 4.320 0.000 0.000 0.292 280 A C -0.060 177.545 177.584 0.036 0.000 1.487 280 A CA 0.705 52.770 52.037 0.047 0.000 0.760 280 A CB -2.442 16.585 19.000 0.046 0.000 1.031 280 A HN 0.260 nan 8.150 nan 0.000 0.503 281 V N -0.163 119.788 119.914 0.061 0.000 2.349 281 V HA 0.647 4.767 4.120 0.000 0.000 0.284 281 V C 0.635 176.724 176.094 -0.007 0.000 1.014 281 V CA -0.303 62.026 62.300 0.047 0.000 0.826 281 V CB 1.369 33.301 31.823 0.181 0.000 1.009 281 V HN 1.479 nan 8.190 nan 0.000 0.431 282 A N 4.310 127.104 122.820 -0.044 0.000 2.396 282 A HA 0.414 4.734 4.320 0.000 0.000 0.279 282 A C 0.255 177.814 177.584 -0.041 0.000 1.165 282 A CA -0.155 51.847 52.037 -0.058 0.000 0.824 282 A CB -0.234 18.770 19.000 0.007 0.000 1.100 282 A HN 0.869 nan 8.150 nan 0.000 0.516 283 C N 2.852 122.102 119.300 -0.083 0.000 2.499 283 C HA 0.336 4.797 4.460 0.000 0.000 0.386 283 C C 1.344 176.300 174.990 -0.056 0.000 1.293 283 C CA -0.238 58.725 59.018 -0.092 0.000 1.884 283 C CB -0.427 27.253 27.740 -0.099 0.000 2.509 283 C HN 1.000 nan 8.230 nan 0.000 0.566 284 E N 0.605 120.790 120.200 -0.026 0.000 2.391 284 E HA 0.136 4.486 4.350 0.000 0.000 0.206 284 E C 0.550 177.126 176.600 -0.041 0.000 0.851 284 E CA 0.141 56.527 56.400 -0.024 0.000 1.059 284 E CB 0.679 30.378 29.700 -0.001 0.000 1.065 284 E HN 0.619 nan 8.360 nan 0.000 0.512 285 R N 0.952 121.439 120.500 -0.023 0.000 2.561 285 R HA 0.223 4.563 4.340 0.000 0.000 0.266 285 R C -1.538 174.754 176.300 -0.014 0.000 1.091 285 R CA -0.493 55.581 56.100 -0.042 0.000 0.927 285 R CB 1.827 32.061 30.300 -0.110 0.000 1.240 285 R HN -0.038 nan 8.270 nan 0.000 0.449 286 V N 1.560 121.451 119.914 -0.038 0.000 2.439 286 V HA 0.551 4.671 4.120 0.000 0.000 0.282 286 V C -0.110 175.944 176.094 -0.066 0.000 1.039 286 V CA -0.712 61.540 62.300 -0.080 0.000 0.913 286 V CB 1.539 33.271 31.823 -0.152 0.000 0.983 286 V HN 0.408 nan 8.190 nan 0.000 0.460 287 V N 6.349 126.224 119.914 -0.064 0.000 2.408 287 V HA 0.396 4.516 4.120 0.000 0.000 0.267 287 V C 0.733 176.806 176.094 -0.035 0.000 1.047 287 V CA -0.275 62.004 62.300 -0.036 0.000 0.937 287 V CB 0.557 32.407 31.823 0.045 0.000 0.999 287 V HN 0.938 nan 8.190 nan 0.000 0.472 288 R N 3.917 124.407 120.500 -0.016 0.000 2.404 288 R HA 0.321 4.661 4.340 0.000 0.000 0.291 288 R C 0.317 176.642 176.300 0.041 0.000 1.025 288 R CA -0.684 55.458 56.100 0.070 0.000 0.991 288 R CB 0.760 31.083 30.300 0.038 0.000 1.053 288 R HN 0.868 nan 8.270 nan 0.000 0.479 289 N N 1.601 120.338 118.700 0.062 0.000 2.267 289 N HA -0.079 4.661 4.740 0.000 0.000 0.226 289 N C 0.568 176.068 175.510 -0.017 0.000 1.314 289 N CA 0.399 53.458 53.050 0.015 0.000 0.887 289 N CB 0.415 38.908 38.487 0.011 0.000 1.120 289 N HN 0.605 nan 8.380 nan 0.000 0.440 290 A N 0.347 123.152 122.820 -0.025 0.000 2.015 290 A HA -0.020 4.300 4.320 0.000 0.000 0.219 290 A C 2.183 179.733 177.584 -0.056 0.000 1.163 290 A CA 0.609 52.623 52.037 -0.038 0.000 0.646 290 A CB -0.701 18.281 19.000 -0.029 0.000 0.806 290 A HN 0.683 nan 8.150 nan 0.000 0.448 291 L N -0.986 120.196 121.223 -0.068 0.000 2.275 291 L HA -0.134 4.206 4.340 0.000 0.000 0.215 291 L C 0.047 176.809 176.870 -0.179 0.000 1.119 291 L CA 0.574 55.354 54.840 -0.101 0.000 0.790 291 L CB -0.464 41.536 42.059 -0.097 0.000 0.919 291 L HN 0.474 nan 8.230 nan 0.000 0.443 292 N N 0.114 118.686 118.700 -0.212 0.000 2.738 292 N HA -0.171 4.569 4.740 0.000 0.000 0.249 292 N C 0.811 175.700 175.510 -1.036 0.000 1.047 292 N CA 1.000 53.787 53.050 -0.438 0.000 0.707 292 N CB -1.199 37.161 38.487 -0.212 0.000 0.937 292 N HN 0.529 nan 8.380 nan 0.000 0.545 293 S N -2.433 112.807 115.700 -0.766 0.000 2.649 293 S HA 0.274 4.744 4.470 0.000 0.000 0.246 293 S C 0.244 174.640 174.600 -0.339 0.000 1.057 293 S CA -0.260 57.566 58.200 -0.624 0.000 1.051 293 S CB 1.579 64.626 63.200 -0.254 0.000 1.018 293 S HN 0.267 nan 8.310 nan 0.000 0.569 294 E N 0.529 120.670 120.200 -0.099 0.000 2.390 294 E HA 0.402 4.752 4.350 0.000 0.000 0.280 294 E C -1.593 175.208 176.600 0.334 0.000 0.992 294 E CA -0.772 55.766 56.400 0.230 0.000 0.790 294 E CB 1.743 31.529 29.700 0.143 0.000 1.248 294 E HN 0.093 nan 8.360 nan 0.000 0.447 295 I N 2.313 123.020 120.570 0.229 0.000 2.396 295 I HA 0.114 4.285 4.170 0.000 0.000 0.292 295 I C 1.091 177.152 176.117 -0.094 0.000 0.999 295 I CA 0.038 61.297 61.300 -0.069 0.000 1.310 295 I CB 1.088 38.787 38.000 -0.502 0.000 1.404 295 I HN 0.580 nan 8.210 nan 0.000 0.496 296 E N 2.902 123.055 120.200 -0.078 0.000 2.340 296 E HA 0.078 4.428 4.350 0.000 0.000 0.198 296 E C 0.306 176.965 176.600 0.098 0.000 0.961 296 E CA 0.384 56.813 56.400 0.049 0.000 0.905 296 E CB 0.596 30.329 29.700 0.056 0.000 0.884 296 E HN 0.724 nan 8.360 nan 0.000 0.491 297 S N -0.521 115.174 115.700 -0.008 0.000 2.611 297 S HA 0.459 4.929 4.470 0.000 0.000 0.270 297 S C -1.674 172.961 174.600 0.057 0.000 1.131 297 S CA -1.047 57.228 58.200 0.125 0.000 0.826 297 S CB 1.055 64.315 63.200 0.100 0.000 1.095 297 S HN 0.006 nan 8.310 nan 0.000 0.461 298 L N 2.337 123.665 121.223 0.176 0.000 2.325 298 L HA 0.575 4.915 4.340 0.000 0.000 0.281 298 L C -0.789 176.091 176.870 0.016 0.000 1.004 298 L CA -0.150 54.756 54.840 0.110 0.000 0.823 298 L CB 1.144 43.300 42.059 0.162 0.000 1.236 298 L HN 0.897 nan 8.230 nan 0.000 0.415 299 H N 6.436 125.474 119.070 -0.052 0.000 2.562 299 H HA 0.470 5.027 4.556 0.000 0.000 0.314 299 H C -0.407 174.868 175.328 -0.088 0.000 1.079 299 H CA -0.173 55.842 56.048 -0.054 0.000 1.349 299 H CB 1.385 31.120 29.762 -0.046 0.000 1.432 299 H HN 0.693 nan 8.280 nan 0.000 0.479 300 I N 0.163 120.720 120.570 -0.022 0.000 2.785 300 I HA 0.374 4.544 4.170 0.000 0.000 0.302 300 I C -0.698 175.483 176.117 0.107 0.000 1.069 300 I CA -0.937 60.324 61.300 -0.065 0.000 1.045 300 I CB 3.049 40.856 38.000 -0.323 0.000 1.236 300 I HN 0.543 nan 8.210 nan 0.000 0.429 301 H N 3.519 122.587 119.070 -0.004 0.000 2.646 301 H HA 0.256 4.812 4.556 0.000 0.000 0.328 301 H C -1.493 173.881 175.328 0.078 0.000 0.998 301 H CA -0.642 55.430 56.048 0.041 0.000 1.225 301 H CB 1.567 31.347 29.762 0.030 0.000 1.457 301 H HN 0.780 nan 8.280 nan 0.000 0.505 302 D N 5.466 125.867 120.400 0.002 0.000 2.339 302 D HA 0.014 4.654 4.640 0.000 0.000 0.256 302 D C 0.973 177.104 176.300 -0.282 0.000 1.214 302 D CA -0.144 53.828 54.000 -0.046 0.000 0.877 302 D CB 0.901 41.801 40.800 0.168 0.000 1.111 302 D HN 0.659 nan 8.370 nan 0.000 0.478 303 L N 4.098 125.163 121.223 -0.263 0.000 2.313 303 L HA -0.073 4.267 4.340 0.000 0.000 0.214 303 L C 1.844 178.665 176.870 -0.082 0.000 1.119 303 L CA 0.118 54.809 54.840 -0.250 0.000 0.809 303 L CB -0.059 41.947 42.059 -0.088 0.000 0.933 303 L HN 0.520 nan 8.230 nan 0.000 0.449 304 I N -0.475 120.078 120.570 -0.029 0.000 2.296 304 I HA -0.158 4.012 4.170 0.000 0.000 0.242 304 I C 2.748 178.880 176.117 0.024 0.000 1.087 304 I CA 1.703 63.010 61.300 0.011 0.000 1.393 304 I CB -1.190 36.826 38.000 0.027 0.000 1.093 304 I HN 0.268 nan 8.210 nan 0.000 0.421 305 S N 0.403 116.128 115.700 0.040 0.000 2.461 305 S HA 0.080 4.550 4.470 0.000 0.000 0.228 305 S C 1.844 176.487 174.600 0.072 0.000 1.005 305 S CA 0.973 59.212 58.200 0.067 0.000 0.942 305 S CB 0.038 63.305 63.200 0.111 0.000 0.776 305 S HN 0.620 nan 8.310 nan 0.000 0.514 306 G N 0.816 109.654 108.800 0.064 0.000 2.199 306 G HA2 -0.196 3.764 3.960 0.000 0.000 0.254 306 G HA3 -0.196 3.764 3.960 0.000 0.000 0.254 306 G C -0.366 174.665 174.900 0.219 0.000 0.982 306 G CA 0.253 45.450 45.100 0.161 0.000 0.632 306 G HN 0.591 nan 8.290 nan 0.000 0.529 307 D N 0.302 120.777 120.400 0.125 0.000 2.312 307 D HA 0.623 5.264 4.640 0.000 0.000 0.248 307 D C 0.929 177.176 176.300 -0.088 0.000 1.086 307 D CA -0.126 53.845 54.000 -0.049 0.000 0.948 307 D CB 0.720 41.387 40.800 -0.223 0.000 1.162 307 D HN 0.404 nan 8.370 nan 0.000 0.446 308 R N 0.315 120.597 120.500 -0.362 0.000 2.732 308 R HA 0.694 5.034 4.340 0.000 0.000 0.278 308 R C -0.715 175.135 176.300 -0.751 0.000 0.976 308 R CA -0.660 55.265 56.100 -0.292 0.000 0.963 308 R CB 1.265 31.501 30.300 -0.106 0.000 1.150 308 R HN 0.301 nan 8.270 nan 0.000 0.478 309 F N -0.580 119.329 119.950 -0.068 0.000 2.664 309 F HA 0.362 4.889 4.527 0.000 0.000 0.317 309 F C -0.155 175.490 175.800 -0.258 0.000 1.108 309 F CA -0.872 57.048 58.000 -0.133 0.000 0.957 309 F CB 1.976 40.902 39.000 -0.123 0.000 1.365 309 F HN 0.229 nan 8.300 nan 0.000 0.475 310 E N 1.800 121.958 120.200 -0.070 0.000 2.191 310 E HA 0.472 4.822 4.350 0.000 0.000 0.263 310 E C -1.534 175.025 176.600 -0.067 0.000 0.881 310 E CA -0.548 55.682 56.400 -0.284 0.000 0.757 310 E CB 1.922 31.422 29.700 -0.334 0.000 1.147 310 E HN 0.312 nan 8.360 nan 0.000 0.414 311 I N 3.397 123.947 120.570 -0.033 0.000 2.433 311 I HA 0.299 4.469 4.170 0.000 0.000 0.292 311 I C 0.007 176.225 176.117 0.168 0.000 1.001 311 I CA -0.851 60.502 61.300 0.087 0.000 1.119 311 I CB 1.551 39.611 38.000 0.100 0.000 1.289 311 I HN 0.362 nan 8.210 nan 0.000 0.438 312 K N 4.909 125.411 120.400 0.170 0.000 2.159 312 K HA 0.846 5.167 4.320 0.000 0.000 0.266 312 K C -1.056 175.621 176.600 0.129 0.000 0.975 312 K CA -0.271 56.129 56.287 0.188 0.000 0.865 312 K CB 1.703 34.273 32.500 0.116 0.000 1.087 312 K HN 0.775 nan 8.250 nan 0.000 0.446 313 A N 2.695 125.525 122.820 0.015 0.000 2.593 313 A HA 0.390 4.710 4.320 0.000 0.000 0.290 313 A C -0.543 176.949 177.584 -0.152 0.000 1.126 313 A CA -0.682 51.241 52.037 -0.189 0.000 0.695 313 A CB 1.054 19.745 19.000 -0.515 0.000 1.290 313 A HN 0.777 nan 8.150 nan 0.000 0.414 314 D N -0.550 119.791 120.400 -0.099 0.000 2.194 314 D HA 0.120 4.760 4.640 0.000 0.000 0.204 314 D C 0.283 176.494 176.300 -0.148 0.000 0.964 314 D CA 1.615 55.613 54.000 -0.003 0.000 0.846 314 D CB 0.211 41.058 40.800 0.077 0.000 0.962 314 D HN 0.216 nan 8.370 nan 0.000 0.490 315 V N 0.784 120.469 119.914 -0.382 0.000 2.638 315 V HA 0.281 4.402 4.120 0.000 0.000 0.306 315 V C -1.256 174.570 176.094 -0.447 0.000 1.052 315 V CA -0.908 61.167 62.300 -0.375 0.000 0.885 315 V CB 1.795 33.286 31.823 -0.554 0.000 0.999 315 V HN -0.078 nan 8.190 nan 0.000 0.424 316 Y N 2.846 123.136 120.300 -0.016 0.000 2.341 316 Y HA 0.724 5.274 4.550 0.000 0.000 0.338 316 Y C -0.099 175.771 175.900 -0.050 0.000 0.965 316 Y CA -0.990 57.091 58.100 -0.032 0.000 1.108 316 Y CB 2.155 40.601 38.460 -0.023 0.000 1.180 316 Y HN 0.352 nan 8.280 nan 0.000 0.458 317 V N 5.405 125.285 119.914 -0.057 0.000 2.483 317 V HA 0.400 4.521 4.120 0.000 0.000 0.297 317 V C -0.571 175.389 176.094 -0.224 0.000 1.027 317 V CA -0.925 61.222 62.300 -0.255 0.000 0.855 317 V CB 1.695 33.143 31.823 -0.625 0.000 0.995 317 V HN 0.588 nan 8.190 nan 0.000 0.424 318 L N 5.110 126.201 121.223 -0.221 0.000 2.276 318 L HA 0.573 4.913 4.340 0.000 0.000 0.286 318 L C 0.360 177.124 176.870 -0.177 0.000 1.024 318 L CA -0.201 54.533 54.840 -0.177 0.000 0.826 318 L CB 1.599 43.540 42.059 -0.196 0.000 1.211 318 L HN 0.808 nan 8.230 nan 0.000 0.422 319 T N -1.635 112.849 114.554 -0.116 0.000 3.624 319 T HA 0.374 4.724 4.350 0.000 0.000 0.244 319 T C 0.622 175.324 174.700 0.003 0.000 1.063 319 T CA -0.118 61.951 62.100 -0.052 0.000 1.252 319 T CB 0.982 69.813 68.868 -0.062 0.000 1.021 319 T HN 0.538 nan 8.240 nan 0.000 0.590 320 A N 0.754 123.587 122.820 0.022 0.000 2.345 320 A HA 0.786 5.106 4.320 0.000 0.000 0.225 320 A C 1.364 179.023 177.584 0.126 0.000 1.243 320 A CA 0.056 52.129 52.037 0.060 0.000 0.875 320 A CB -0.695 18.335 19.000 0.049 0.000 0.929 320 A HN 1.695 nan 8.150 nan 0.000 0.502 321 G N -2.394 106.479 108.800 0.120 0.000 2.699 321 G HA2 0.257 4.218 3.960 0.000 0.000 0.686 321 G HA3 0.257 4.218 3.960 0.000 0.000 0.686 321 G C 0.772 175.776 174.900 0.174 0.000 1.301 321 G CA -0.299 44.886 45.100 0.141 0.000 0.816 321 G HN 1.284 nan 8.290 nan 0.000 0.595 322 A N -0.408 122.503 122.820 0.150 0.000 1.933 322 A HA 0.204 4.524 4.320 0.000 0.000 0.218 322 A C 2.661 180.333 177.584 0.147 0.000 1.175 322 A CA 3.272 55.392 52.037 0.138 0.000 0.628 322 A CB -0.408 18.645 19.000 0.088 0.000 0.814 322 A HN 1.596 nan 8.150 nan 0.000 0.444 323 V N -0.933 119.029 119.914 0.080 0.000 2.273 323 V HA -0.204 3.916 4.120 0.000 0.000 0.242 323 V C 2.246 178.358 176.094 0.030 0.000 1.035 323 V CA 2.188 64.494 62.300 0.010 0.000 1.013 323 V CB -1.064 30.651 31.823 -0.181 0.000 0.652 323 V HN 0.731 nan 8.190 nan 0.000 0.452 324 H N -0.280 118.870 119.070 0.133 0.000 2.502 324 H HA -0.027 4.529 4.556 -0.000 0.000 0.283 324 H C 2.262 177.592 175.328 0.004 0.000 1.015 324 H CA 0.911 56.994 56.048 0.058 0.000 1.298 324 H CB 0.085 29.862 29.762 0.025 0.000 1.411 324 H HN 0.310 nan 8.280 nan 0.000 0.556 325 N N -0.201 118.578 118.700 0.133 0.000 2.104 325 N HA -0.118 4.622 4.740 0.000 0.000 0.190 325 N C 1.708 177.206 175.510 -0.020 0.000 1.024 325 N CA 1.749 54.811 53.050 0.020 0.000 0.853 325 N CB -0.352 38.141 38.487 0.010 0.000 1.008 325 N HN 0.321 nan 8.380 nan 0.000 0.424 326 T N 0.522 115.136 114.554 0.099 0.000 2.812 326 T HA -0.117 4.233 4.350 0.000 0.000 0.264 326 T C 1.824 176.402 174.700 -0.203 0.000 1.042 326 T CA 0.839 62.996 62.100 0.095 0.000 1.140 326 T CB -0.160 68.904 68.868 0.327 0.000 0.870 326 T HN 0.316 nan 8.240 nan 0.000 0.445 327 Q N 0.232 119.807 119.800 -0.374 0.000 2.045 327 Q HA -0.156 4.184 4.340 0.000 0.000 0.206 327 Q C 2.297 178.014 176.000 -0.471 0.000 0.991 327 Q CA 1.328 56.572 55.803 -0.932 0.000 0.851 327 Q CB -0.275 28.242 28.738 -0.367 0.000 0.911 327 Q HN 0.329 nan 8.270 nan 0.000 0.418 328 L N 0.682 121.774 121.223 -0.220 0.000 2.046 328 L HA -0.158 4.182 4.340 0.000 0.000 0.208 328 L C 2.035 178.823 176.870 -0.137 0.000 1.077 328 L CA 1.574 56.325 54.840 -0.148 0.000 0.747 328 L CB -0.734 41.262 42.059 -0.106 0.000 0.896 328 L HN 0.321 nan 8.230 nan 0.000 0.432 329 L N -1.902 119.220 121.223 -0.169 0.000 2.027 329 L HA -0.191 4.149 4.340 0.000 0.000 0.206 329 L C 2.421 179.330 176.870 0.065 0.000 1.074 329 L CA 1.007 55.772 54.840 -0.125 0.000 0.745 329 L CB -0.626 41.236 42.059 -0.329 0.000 0.898 329 L HN 0.066 nan 8.230 nan 0.000 0.433 330 V N -0.008 119.870 119.914 -0.060 0.000 2.407 330 V HA -0.266 3.854 4.120 0.000 0.000 0.248 330 V C 2.094 178.168 176.094 -0.034 0.000 1.055 330 V CA 1.963 64.255 62.300 -0.014 0.000 1.049 330 V CB -0.750 31.028 31.823 -0.076 0.000 0.662 330 V HN 0.492 nan 8.190 nan 0.000 0.455 331 N N 0.112 118.746 118.700 -0.110 0.000 2.459 331 N HA -0.096 4.644 4.740 0.000 0.000 0.181 331 N C 1.488 176.970 175.510 -0.046 0.000 1.046 331 N CA 1.118 54.121 53.050 -0.079 0.000 0.904 331 N CB -0.031 38.394 38.487 -0.104 0.000 0.964 331 N HN 0.405 nan 8.380 nan 0.000 0.444 332 S N -1.461 114.241 115.700 0.002 0.000 2.557 332 S HA 0.346 4.816 4.470 0.000 0.000 0.223 332 S C 1.070 175.649 174.600 -0.034 0.000 0.969 332 S CA 0.203 58.411 58.200 0.013 0.000 0.927 332 S CB 0.538 63.799 63.200 0.101 0.000 0.806 332 S HN 0.538 nan 8.310 nan 0.000 0.489 333 G N 1.034 109.821 108.800 -0.022 0.000 2.176 333 G HA2 -0.228 3.732 3.960 0.000 0.000 0.232 333 G HA3 -0.228 3.732 3.960 0.000 0.000 0.232 333 G C -0.055 174.764 174.900 -0.135 0.000 0.986 333 G CA -0.558 44.481 45.100 -0.103 0.000 0.643 333 G HN 0.421 nan 8.290 nan 0.000 0.522 334 F N 0.924 120.855 119.950 -0.031 0.000 2.370 334 F HA 0.544 5.072 4.527 0.000 0.000 0.324 334 F C 1.712 177.528 175.800 0.026 0.000 1.116 334 F CA 0.901 58.898 58.000 -0.006 0.000 1.123 334 F CB 0.700 39.673 39.000 -0.045 0.000 1.238 334 F HN 0.702 nan 8.300 nan 0.000 0.536 335 G N 1.517 110.478 108.800 0.268 0.000 2.602 335 G HA2 -0.315 3.645 3.960 0.000 0.000 0.306 335 G HA3 -0.315 3.645 3.960 0.000 0.000 0.306 335 G C -0.645 174.336 174.900 0.135 0.000 1.301 335 G CA 0.290 45.504 45.100 0.189 0.000 0.974 335 G HN 0.858 nan 8.290 nan 0.000 0.547 336 Q N -1.122 118.761 119.800 0.139 0.000 2.323 336 Q HA 0.642 4.982 4.340 0.000 0.000 0.271 336 Q C -0.985 175.099 176.000 0.140 0.000 1.048 336 Q CA -1.029 54.834 55.803 0.100 0.000 0.792 336 Q CB 1.690 30.464 28.738 0.061 0.000 1.280 336 Q HN 0.777 nan 8.270 nan 0.000 0.441 337 L N 3.560 124.853 121.223 0.116 0.000 2.371 337 L HA 0.787 5.128 4.340 0.000 0.000 0.272 337 L C 0.222 177.168 176.870 0.127 0.000 1.124 337 L CA 1.761 56.695 54.840 0.156 0.000 0.816 337 L CB 1.120 43.244 42.059 0.109 0.000 1.129 337 L HN 0.847 nan 8.230 nan 0.000 0.448 338 G N 3.549 112.472 108.800 0.206 0.000 2.661 338 G HA2 -0.170 3.790 3.960 0.000 0.000 0.685 338 G HA3 -0.170 3.790 3.960 0.000 0.000 0.685 338 G C -0.646 174.113 174.900 -0.235 0.000 1.298 338 G CA -0.396 44.764 45.100 0.099 0.000 0.855 338 G HN 0.893 nan 8.290 nan 0.000 0.560 339 R N 0.812 120.950 120.500 -0.604 0.000 2.538 339 R HA 0.311 4.651 4.340 0.000 0.000 0.282 339 R C -1.846 173.988 176.300 -0.776 0.000 1.009 339 R CA -0.448 54.843 56.100 -1.349 0.000 1.063 339 R CB -0.041 29.803 30.300 -0.760 0.000 0.945 339 R HN 0.343 nan 8.270 nan 0.000 0.414 340 P HA -0.011 nan 4.420 nan 0.000 0.266 340 P C -1.126 176.020 177.300 -0.257 0.000 1.195 340 P CA 0.176 63.036 63.100 -0.400 0.000 0.768 340 P CB 0.503 32.001 31.700 -0.337 0.000 0.838 341 N N 3.498 122.104 118.700 -0.155 0.000 2.617 341 N HA 0.199 4.939 4.740 0.000 0.000 0.263 341 N C -2.030 173.440 175.510 -0.067 0.000 1.074 341 N CA -2.439 50.547 53.050 -0.107 0.000 0.841 341 N CB 0.973 39.406 38.487 -0.091 0.000 1.221 341 N HN 0.100 nan 8.380 nan 0.000 0.529 342 P HA -0.032 nan 4.420 nan 0.000 0.223 342 P C 0.677 177.961 177.300 -0.026 0.000 1.151 342 P CA 0.522 63.600 63.100 -0.037 0.000 0.787 342 P CB 0.244 31.922 31.700 -0.037 0.000 0.788 343 A N -0.038 122.763 122.820 -0.031 0.000 2.258 343 A HA -0.046 4.274 4.320 0.000 0.000 0.206 343 A C 1.010 178.581 177.584 -0.021 0.000 1.222 343 A CA 0.330 52.352 52.037 -0.024 0.000 0.822 343 A CB -1.269 17.715 19.000 -0.026 0.000 0.804 343 A HN 0.386 nan 8.150 nan 0.000 0.483 344 N N -0.383 118.305 118.700 -0.021 0.000 3.091 344 N HA 0.092 4.833 4.740 0.000 0.000 0.185 344 N C -3.477 172.027 175.510 -0.010 0.000 1.398 344 N CA -0.717 52.323 53.050 -0.016 0.000 0.938 344 N CB 0.812 39.287 38.487 -0.021 0.000 1.605 344 N HN -0.084 nan 8.380 nan 0.000 0.597 345 P HA 0.236 nan 4.420 nan 0.000 0.269 345 P C -2.394 174.918 177.300 0.019 0.000 1.209 345 P CA -0.547 62.560 63.100 0.010 0.000 0.776 345 P CB 0.061 31.771 31.700 0.018 0.000 0.876 346 P HA 0.116 nan 4.420 nan 0.000 0.272 346 P C 0.467 177.794 177.300 0.045 0.000 1.240 346 P CA 0.049 63.175 63.100 0.043 0.000 0.791 346 P CB 1.311 33.053 31.700 0.071 0.000 0.978 347 E N -0.562 119.661 120.200 0.038 0.000 2.075 347 E HA 0.005 4.355 4.350 0.000 0.000 0.190 347 E C 0.179 176.816 176.600 0.061 0.000 0.969 347 E CA 0.339 56.761 56.400 0.036 0.000 0.815 347 E CB 0.046 29.754 29.700 0.014 0.000 0.776 347 E HN 0.189 nan 8.360 nan 0.000 0.457 348 L N 1.357 122.625 121.223 0.075 0.000 2.289 348 L HA 0.195 4.535 4.340 0.000 0.000 0.285 348 L C -0.231 176.767 176.870 0.214 0.000 1.049 348 L CA 0.129 55.050 54.840 0.135 0.000 0.804 348 L CB 0.925 43.015 42.059 0.052 0.000 1.195 348 L HN 0.160 nan 8.230 nan 0.000 0.428 349 L N 6.815 128.190 121.223 0.254 0.000 3.887 349 L HA -0.196 4.144 4.340 0.000 0.000 0.546 349 L C -1.293 175.693 176.870 0.194 0.000 1.196 349 L CA -0.353 54.634 54.840 0.245 0.000 0.777 349 L CB -0.731 41.506 42.059 0.296 0.000 1.346 349 L HN 0.616 nan 8.230 nan 0.000 0.810 350 P HA -0.119 nan 4.420 nan 0.000 0.225 350 P C 1.183 178.584 177.300 0.168 0.000 1.148 350 P CA 1.021 64.203 63.100 0.137 0.000 0.779 350 P CB 0.334 32.096 31.700 0.104 0.000 0.780 351 S N -0.646 115.169 115.700 0.192 0.000 2.558 351 S HA 0.065 4.535 4.470 0.000 0.000 0.217 351 S C 0.842 175.597 174.600 0.258 0.000 0.975 351 S CA -0.409 57.945 58.200 0.257 0.000 0.912 351 S CB -0.604 62.729 63.200 0.220 0.000 0.776 351 S HN 0.082 nan 8.310 nan 0.000 0.526 352 L N 2.336 123.690 121.223 0.218 0.000 2.499 352 L HA 0.432 4.772 4.340 0.000 0.000 0.273 352 L C 1.179 178.189 176.870 0.233 0.000 1.195 352 L CA 1.165 56.135 54.840 0.216 0.000 0.882 352 L CB -0.284 41.889 42.059 0.189 0.000 1.133 352 L HN 0.340 nan 8.230 nan 0.000 0.483 353 G N 2.430 111.376 108.800 0.243 0.000 2.184 353 G HA2 -0.276 3.684 3.960 0.000 0.000 0.264 353 G HA3 -0.276 3.684 3.960 0.000 0.000 0.264 353 G C 0.443 175.470 174.900 0.211 0.000 0.975 353 G CA 0.400 45.643 45.100 0.239 0.000 0.642 353 G HN 0.833 nan 8.290 nan 0.000 0.536 354 S N -1.473 114.363 115.700 0.225 0.000 2.681 354 S HA 0.643 5.113 4.470 0.000 0.000 0.299 354 S C 0.398 175.169 174.600 0.283 0.000 1.113 354 S CA 0.116 58.406 58.200 0.150 0.000 1.013 354 S CB 0.901 64.142 63.200 0.070 0.000 1.076 354 S HN 0.911 nan 8.310 nan 0.000 0.534 355 Y N -1.064 119.306 120.300 0.117 0.000 4.272 355 Y HA -0.206 4.344 4.550 0.000 0.000 0.232 355 Y C 0.523 176.508 175.900 0.142 0.000 1.149 355 Y CA 0.217 58.386 58.100 0.114 0.000 1.961 355 Y CB -2.260 36.262 38.460 0.104 0.000 1.611 355 Y HN 0.629 nan 8.280 nan 0.000 0.682 356 I N 0.022 120.745 120.570 0.255 0.000 2.754 356 I HA 0.452 4.623 4.170 0.000 0.000 0.285 356 I C 0.667 176.956 176.117 0.286 0.000 1.166 356 I CA 0.500 61.952 61.300 0.253 0.000 1.417 356 I CB 1.235 39.383 38.000 0.248 0.000 1.382 356 I HN 0.212 nan 8.210 nan 0.000 0.588 357 T N 1.866 116.552 114.554 0.219 0.000 2.861 357 T HA 0.673 5.023 4.350 0.000 0.000 0.287 357 T C -0.688 174.043 174.700 0.052 0.000 1.003 357 T CA -0.688 61.527 62.100 0.192 0.000 0.977 357 T CB 2.001 70.934 68.868 0.109 0.000 0.996 357 T HN 0.841 nan 8.240 nan 0.000 0.448 358 E N 1.493 121.697 120.200 0.008 0.000 2.340 358 E HA 0.378 4.728 4.350 0.000 0.000 0.273 358 E C -1.106 175.595 176.600 0.169 0.000 0.891 358 E CA -0.581 55.775 56.400 -0.073 0.000 0.757 358 E CB 2.062 31.499 29.700 -0.438 0.000 1.231 358 E HN 0.710 nan 8.360 nan 0.000 0.439 359 Q N 1.200 121.110 119.800 0.183 0.000 2.293 359 Q HA 0.455 4.795 4.340 0.000 0.000 0.251 359 Q C -0.443 175.739 176.000 0.303 0.000 0.930 359 Q CA -0.472 55.486 55.803 0.259 0.000 0.893 359 Q CB 1.365 30.287 28.738 0.305 0.000 1.215 359 Q HN 0.498 nan 8.270 nan 0.000 0.425 360 S N 1.570 117.372 115.700 0.171 0.000 2.585 360 S HA 0.352 4.822 4.470 0.000 0.000 0.273 360 S C -0.658 173.980 174.600 0.063 0.000 1.339 360 S CA -0.464 57.713 58.200 -0.037 0.000 1.028 360 S CB 0.443 63.515 63.200 -0.214 0.000 0.906 360 S HN 0.402 nan 8.310 nan 0.000 0.528 361 L N 3.553 124.789 121.223 0.022 0.000 2.470 361 L HA 0.685 5.026 4.340 0.000 0.000 0.268 361 L C -0.862 175.876 176.870 -0.220 0.000 0.964 361 L CA -0.677 54.078 54.840 -0.141 0.000 0.839 361 L CB 1.615 43.573 42.059 -0.168 0.000 1.276 361 L HN 0.489 nan 8.230 nan 0.000 0.403 362 V N 1.950 121.648 119.914 -0.360 0.000 2.769 362 V HA 0.773 4.893 4.120 0.000 0.000 0.312 362 V C -0.991 174.961 176.094 -0.237 0.000 1.058 362 V CA -0.641 61.373 62.300 -0.477 0.000 0.952 362 V CB 1.692 33.046 31.823 -0.783 0.000 1.019 362 V HN 0.822 nan 8.190 nan 0.000 0.445 363 F N 4.455 124.199 119.950 -0.344 0.000 2.591 363 F HA 0.871 5.395 4.527 -0.005 0.000 0.309 363 F C -0.414 175.269 175.800 -0.195 0.000 1.098 363 F CA -0.222 57.660 58.000 -0.197 0.000 0.937 363 F CB 1.545 40.459 39.000 -0.143 0.000 1.250 363 F HN 1.232 nan 8.300 nan 0.000 0.447 364 C N 2.802 121.416 119.300 -1.143 0.000 3.306 364 C HA 0.787 5.247 4.460 0.000 0.000 0.335 364 C C -1.730 172.740 174.990 -0.867 0.000 1.382 364 C CA -0.727 57.644 59.018 -1.079 0.000 1.254 364 C CB 1.609 28.978 27.740 -0.618 0.000 1.555 364 C HN 0.980 nan 8.230 nan 0.000 0.463 365 Q N 0.470 120.009 119.800 -0.435 0.000 2.399 365 Q HA 0.809 5.149 4.340 0.000 0.000 0.276 365 Q C -0.510 175.550 176.000 0.101 0.000 1.098 365 Q CA -0.285 55.496 55.803 -0.036 0.000 0.827 365 Q CB 2.688 31.430 28.738 0.007 0.000 1.386 365 Q HN 0.954 nan 8.270 nan 0.000 0.443 366 T N -2.752 111.931 114.554 0.215 0.000 2.916 366 T HA 0.697 5.048 4.350 0.000 0.000 0.292 366 T C -0.703 174.072 174.700 0.125 0.000 1.055 366 T CA -0.718 61.476 62.100 0.156 0.000 1.009 366 T CB 1.251 70.231 68.868 0.187 0.000 1.118 366 T HN 0.259 nan 8.240 nan 0.000 0.497 367 V N 2.795 122.747 119.914 0.063 0.000 2.357 367 V HA 0.407 4.527 4.120 0.000 0.000 0.284 367 V C 0.321 176.437 176.094 0.036 0.000 1.018 367 V CA -0.897 61.432 62.300 0.048 0.000 0.841 367 V CB 1.086 32.926 31.823 0.027 0.000 0.991 367 V HN 1.046 nan 8.190 nan 0.000 0.437 368 M N 4.884 124.514 119.600 0.050 0.000 2.240 368 M HA 0.059 4.540 4.480 0.000 0.000 0.346 368 M C 0.899 177.212 176.300 0.021 0.000 1.236 368 M CA 0.755 56.083 55.300 0.047 0.000 0.986 368 M CB 0.558 33.186 32.600 0.046 0.000 1.786 368 M HN 0.927 nan 8.290 nan 0.000 0.457 369 S N 2.567 118.275 115.700 0.013 0.000 2.568 369 S HA 0.082 4.552 4.470 0.000 0.000 0.282 369 S C 1.025 175.628 174.600 0.005 0.000 1.338 369 S CA -0.146 58.052 58.200 -0.004 0.000 1.045 369 S CB 0.613 63.804 63.200 -0.015 0.000 0.873 369 S HN 0.808 nan 8.310 nan 0.000 0.516 370 T N 1.479 116.032 114.554 -0.001 0.000 2.699 370 T HA -0.194 4.156 4.350 0.000 0.000 0.268 370 T C 1.644 176.350 174.700 0.010 0.000 1.036 370 T CA 1.898 64.001 62.100 0.005 0.000 1.147 370 T CB -0.587 68.281 68.868 -0.001 0.000 0.862 370 T HN 0.889 nan 8.240 nan 0.000 0.446 371 E N 0.619 120.821 120.200 0.004 0.000 2.058 371 E HA -0.128 4.222 4.350 0.000 0.000 0.194 371 E C 2.191 178.805 176.600 0.023 0.000 0.997 371 E CA 0.962 57.367 56.400 0.007 0.000 0.801 371 E CB -0.241 29.456 29.700 -0.006 0.000 0.746 371 E HN 0.451 nan 8.360 nan 0.000 0.450 372 L N 0.668 121.907 121.223 0.028 0.000 2.017 372 L HA -0.197 4.144 4.340 0.000 0.000 0.208 372 L C 2.591 179.500 176.870 0.065 0.000 1.073 372 L CA 0.570 55.441 54.840 0.051 0.000 0.745 372 L CB -0.393 41.697 42.059 0.053 0.000 0.894 372 L HN 0.300 nan 8.230 nan 0.000 0.432 373 I N 0.074 120.671 120.570 0.045 0.000 2.163 373 I HA -0.304 3.866 4.170 0.000 0.000 0.243 373 I C 2.168 178.315 176.117 0.049 0.000 1.085 373 I CA 1.600 62.923 61.300 0.039 0.000 1.347 373 I CB -1.151 36.863 38.000 0.023 0.000 1.044 373 I HN 0.304 nan 8.210 nan 0.000 0.408 374 D N 0.625 121.053 120.400 0.046 0.000 2.178 374 D HA -0.129 4.512 4.640 0.000 0.000 0.201 374 D C 2.362 178.707 176.300 0.075 0.000 0.980 374 D CA 1.604 55.635 54.000 0.051 0.000 0.842 374 D CB -0.073 40.749 40.800 0.036 0.000 0.948 374 D HN 0.398 nan 8.370 nan 0.000 0.472 375 S N -0.037 115.716 115.700 0.088 0.000 2.423 375 S HA -0.103 4.367 4.470 0.000 0.000 0.231 375 S C 2.188 176.926 174.600 0.230 0.000 1.014 375 S CA 0.679 58.955 58.200 0.127 0.000 0.965 375 S CB -0.540 62.722 63.200 0.103 0.000 0.785 375 S HN 0.081 nan 8.310 nan 0.000 0.495 376 V N 3.153 123.193 119.914 0.210 0.000 2.392 376 V HA -0.183 3.938 4.120 0.000 0.000 0.249 376 V C 2.238 178.417 176.094 0.143 0.000 1.059 376 V CA 2.182 64.630 62.300 0.247 0.000 1.051 376 V CB -0.889 30.997 31.823 0.105 0.000 0.658 376 V HN 0.827 nan 8.190 nan 0.000 0.455 377 K N 0.429 120.892 120.400 0.105 0.000 2.498 377 K HA 0.175 4.495 4.320 0.000 0.000 0.207 377 K C 1.612 178.267 176.600 0.090 0.000 1.033 377 K CA 0.678 57.009 56.287 0.074 0.000 1.138 377 K CB 0.172 32.708 32.500 0.060 0.000 0.860 377 K HN 0.421 nan 8.250 nan 0.000 0.490 378 S N 0.866 116.651 115.700 0.141 0.000 2.419 378 S HA -0.160 4.310 4.470 0.000 0.000 0.233 378 S C 1.004 175.649 174.600 0.074 0.000 1.016 378 S CA 1.189 59.448 58.200 0.099 0.000 0.974 378 S CB -0.237 63.014 63.200 0.086 0.000 0.786 378 S HN 0.321 nan 8.310 nan 0.000 0.492 379 D N 0.865 121.325 120.400 0.101 0.000 2.340 379 D HA 0.194 4.834 4.640 0.000 0.000 0.220 379 D C 0.179 176.534 176.300 0.093 0.000 1.039 379 D CA 0.285 54.331 54.000 0.077 0.000 0.866 379 D CB -0.031 40.813 40.800 0.074 0.000 0.913 379 D HN 0.391 nan 8.370 nan 0.000 0.523 380 M N 0.583 120.230 119.600 0.078 0.000 2.249 380 M HA 0.180 4.661 4.480 0.000 0.000 0.351 380 M C 0.341 176.676 176.300 0.059 0.000 1.180 380 M CA 0.068 55.419 55.300 0.085 0.000 1.127 380 M CB 0.989 33.626 32.600 0.062 0.000 1.546 380 M HN -0.334 nan 8.290 nan 0.000 0.461 381 T N 4.481 119.065 114.554 0.050 0.000 2.744 381 T HA 0.649 4.999 4.350 0.000 0.000 0.291 381 T C 0.073 174.761 174.700 -0.020 0.000 0.957 381 T CA -0.307 61.802 62.100 0.015 0.000 1.002 381 T CB 0.398 69.271 68.868 0.008 0.000 0.919 381 T HN 0.418 nan 8.240 nan 0.000 0.468 382 I N 3.830 124.388 120.570 -0.019 0.000 2.406 382 I HA 0.486 4.656 4.170 0.000 0.000 0.290 382 I C 0.288 176.387 176.117 -0.029 0.000 0.999 382 I CA -0.728 60.542 61.300 -0.051 0.000 1.124 382 I CB 1.460 39.468 38.000 0.013 0.000 1.289 382 I HN 0.321 nan 8.210 nan 0.000 0.441 383 R N 4.015 124.472 120.500 -0.071 0.000 2.621 383 R HA 0.769 5.109 4.340 0.000 0.000 0.292 383 R C -0.004 176.343 176.300 0.078 0.000 0.969 383 R CA -0.670 55.430 56.100 -0.001 0.000 0.887 383 R CB 2.114 32.403 30.300 -0.018 0.000 1.180 383 R HN 0.881 nan 8.270 nan 0.000 0.450 384 G N 0.849 109.727 108.800 0.130 0.000 2.681 384 G HA2 -0.262 3.699 3.960 0.000 0.000 0.220 384 G HA3 -0.262 3.699 3.960 0.000 0.000 0.220 384 G C -0.610 174.454 174.900 0.273 0.000 1.353 384 G CA -0.181 45.031 45.100 0.188 0.000 0.872 384 G HN 0.738 nan 8.290 nan 0.000 0.557 385 T N -0.149 114.514 114.554 0.181 0.000 2.841 385 T HA 0.725 5.075 4.350 0.000 0.000 0.283 385 T C -2.748 171.755 174.700 -0.328 0.000 1.000 385 T CA -1.154 60.945 62.100 -0.002 0.000 0.977 385 T CB 2.332 71.191 68.868 -0.014 0.000 0.979 385 T HN 0.525 nan 8.240 nan 0.000 0.446 386 P HA 0.286 nan 4.420 nan 0.000 0.265 386 P C 1.173 178.200 177.300 -0.455 0.000 1.187 386 P CA 1.305 63.771 63.100 -1.057 0.000 0.766 386 P CB 0.274 31.557 31.700 -0.695 0.000 0.820 387 G N 0.815 109.410 108.800 -0.343 0.000 2.253 387 G HA2 -0.212 3.748 3.960 0.000 0.000 0.251 387 G HA3 -0.212 3.748 3.960 0.000 0.000 0.251 387 G C 0.109 174.968 174.900 -0.069 0.000 0.998 387 G CA -0.110 44.905 45.100 -0.142 0.000 0.621 387 G HN 0.510 nan 8.290 nan 0.000 0.524 388 E N 0.093 120.259 120.200 -0.057 0.000 2.349 388 E HA 0.608 4.959 4.350 0.000 0.000 0.265 388 E C 1.741 178.377 176.600 0.060 0.000 1.064 388 E CA -0.727 55.680 56.400 0.012 0.000 0.886 388 E CB 0.638 30.353 29.700 0.025 0.000 1.036 388 E HN 0.181 nan 8.360 nan 0.000 0.413 389 L N 0.793 122.044 121.223 0.046 0.000 2.265 389 L HA -0.151 4.190 4.340 0.000 0.000 0.215 389 L C 1.496 178.404 176.870 0.063 0.000 1.117 389 L CA 1.733 56.601 54.840 0.047 0.000 0.782 389 L CB -0.419 41.657 42.059 0.029 0.000 0.914 389 L HN 0.564 nan 8.230 nan 0.000 0.441 390 T N -5.264 109.336 114.554 0.076 0.000 3.174 390 T HA 0.055 4.405 4.350 0.000 0.000 0.269 390 T C 0.156 174.923 174.700 0.111 0.000 1.017 390 T CA -0.463 61.679 62.100 0.070 0.000 0.899 390 T CB -0.384 68.511 68.868 0.046 0.000 1.077 390 T HN 0.054 nan 8.240 nan 0.000 0.552 391 Y N 2.572 122.874 120.300 0.003 0.000 2.610 391 Y HA 0.442 4.992 4.550 0.000 0.000 0.332 391 Y C 0.142 176.046 175.900 0.007 0.000 1.201 391 Y CA -0.282 57.821 58.100 0.005 0.000 1.465 391 Y CB 0.518 38.980 38.460 0.003 0.000 1.283 391 Y HN 0.271 nan 8.280 nan 0.000 0.563 392 S N 5.191 120.583 115.700 -0.513 0.000 2.614 392 S HA 0.653 5.123 4.470 0.000 0.000 0.275 392 S C -2.095 172.193 174.600 -0.520 0.000 1.161 392 S CA -0.732 57.225 58.200 -0.406 0.000 0.969 392 S CB 0.649 63.750 63.200 -0.165 0.000 1.059 392 S HN 0.515 nan 8.310 nan 0.000 0.482 393 V N 4.949 124.625 119.914 -0.398 0.000 2.407 393 V HA 0.715 4.835 4.120 0.000 0.000 0.291 393 V C 0.163 176.221 176.094 -0.060 0.000 1.018 393 V CA -0.385 61.785 62.300 -0.216 0.000 0.842 393 V CB 1.292 33.019 31.823 -0.159 0.000 0.996 393 V HN 1.016 nan 8.190 nan 0.000 0.426 394 T N 1.872 116.423 114.554 -0.005 0.000 2.901 394 T HA 0.899 5.249 4.350 0.000 0.000 0.293 394 T C -0.976 173.815 174.700 0.152 0.000 1.084 394 T CA -0.766 61.357 62.100 0.039 0.000 1.008 394 T CB 2.422 71.266 68.868 -0.039 0.000 1.170 394 T HN 0.810 nan 8.240 nan 0.000 0.509 395 Y N -1.983 118.312 120.300 -0.009 0.000 2.670 395 Y HA 0.753 5.303 4.550 0.001 0.000 0.334 395 Y C -1.072 174.829 175.900 0.000 0.000 1.185 395 Y CA -1.298 56.802 58.100 -0.000 0.000 1.053 395 Y CB 0.811 39.280 38.460 0.014 0.000 1.298 395 Y HN 0.652 nan 8.280 nan 0.000 0.459 396 T N 4.110 118.656 114.554 -0.012 0.000 2.753 396 T HA 0.420 4.770 4.350 0.000 0.000 0.297 396 T C -2.828 171.871 174.700 -0.002 0.000 0.981 396 T CA -1.354 60.682 62.100 -0.106 0.000 0.956 396 T CB 0.765 69.619 68.868 -0.022 0.000 0.936 396 T HN 0.343 nan 8.240 nan 0.000 0.463 397 P HA 0.241 nan 4.420 nan 0.000 0.268 397 P C 1.129 178.470 177.300 0.069 0.000 1.204 397 P CA 0.686 63.837 63.100 0.084 0.000 0.768 397 P CB 0.417 32.125 31.700 0.014 0.000 0.842 398 G N 1.798 110.657 108.800 0.098 0.000 2.184 398 G HA2 -0.232 3.728 3.960 0.000 0.000 0.264 398 G HA3 -0.232 3.728 3.960 0.000 0.000 0.264 398 G C 0.455 175.376 174.900 0.035 0.000 0.975 398 G CA 0.042 45.175 45.100 0.055 0.000 0.642 398 G HN 0.861 nan 8.290 nan 0.000 0.536 399 A N 0.728 123.573 122.820 0.041 0.000 2.488 399 A HA 0.632 4.952 4.320 0.000 0.000 0.249 399 A C 1.773 179.359 177.584 0.004 0.000 1.083 399 A CA 1.258 53.307 52.037 0.021 0.000 0.768 399 A CB 0.278 19.295 19.000 0.028 0.000 1.017 399 A HN 1.710 nan 8.150 nan 0.000 0.496 400 S N 1.740 117.436 115.700 -0.006 0.000 2.442 400 S HA -0.181 4.289 4.470 0.000 0.000 0.236 400 S C 1.464 176.044 174.600 -0.034 0.000 1.007 400 S CA 1.746 59.934 58.200 -0.019 0.000 0.965 400 S CB -0.873 62.317 63.200 -0.017 0.000 0.773 400 S HN 1.216 nan 8.310 nan 0.000 0.504 401 T N -1.058 113.479 114.554 -0.029 0.000 3.100 401 T HA 0.190 4.540 4.350 0.000 0.000 0.253 401 T C 0.443 175.107 174.700 -0.060 0.000 1.118 401 T CA -0.384 61.691 62.100 -0.041 0.000 1.058 401 T CB -0.534 68.318 68.868 -0.027 0.000 0.953 401 T HN 0.198 nan 8.240 nan 0.000 0.515 402 N N 2.152 120.819 118.700 -0.056 0.000 2.518 402 N HA 0.230 4.970 4.740 0.000 0.000 0.266 402 N C 0.841 176.240 175.510 -0.186 0.000 1.196 402 N CA -0.348 52.653 53.050 -0.083 0.000 0.947 402 N CB 1.020 39.486 38.487 -0.035 0.000 1.098 402 N HN 0.091 nan 8.380 nan 0.000 0.450 403 K N 0.947 121.155 120.400 -0.320 0.000 2.393 403 K HA 0.110 4.431 4.320 0.000 0.000 0.193 403 K C -0.076 176.010 176.600 -0.856 0.000 1.026 403 K CA 0.529 56.472 56.287 -0.573 0.000 1.064 403 K CB 0.153 32.215 32.500 -0.731 0.000 0.833 403 K HN 0.571 nan 8.250 nan 0.000 0.521 404 H N -0.125 118.670 119.070 -0.459 0.000 2.865 404 H HA 0.346 4.902 4.556 0.000 0.000 0.372 404 H C -2.474 172.571 175.328 -0.472 0.000 1.173 404 H CA -2.209 53.418 56.048 -0.703 0.000 1.147 404 H CB 1.563 30.568 29.762 -1.261 0.000 1.805 404 H HN -0.224 nan 8.280 nan 0.000 0.553 405 P HA -0.007 nan 4.420 nan 0.000 0.270 405 P C 0.469 177.631 177.300 -0.230 0.000 1.223 405 P CA -0.153 62.802 63.100 -0.241 0.000 0.785 405 P CB 1.010 32.532 31.700 -0.296 0.000 0.923 406 D N 0.293 120.673 120.400 -0.033 0.000 2.149 406 D HA -0.152 4.488 4.640 0.000 0.000 0.198 406 D C 1.808 178.157 176.300 0.081 0.000 0.990 406 D CA 1.256 55.305 54.000 0.082 0.000 0.839 406 D CB -0.490 40.440 40.800 0.217 0.000 0.948 406 D HN 0.610 nan 8.370 nan 0.000 0.460 407 W N 0.249 121.622 121.300 0.122 0.000 2.363 407 W HA -0.131 4.529 4.660 -0.000 0.000 0.296 407 W C 1.952 178.539 176.519 0.114 0.000 1.212 407 W CA 0.120 57.530 57.345 0.109 0.000 1.260 407 W CB -1.351 28.168 29.460 0.098 0.000 1.131 407 W HN 0.057 nan 8.180 nan 0.000 0.530 408 W N 3.677 124.470 121.300 -0.845 0.000 2.354 408 W HA -0.202 4.458 4.660 0.001 0.000 0.315 408 W C 1.882 178.107 176.519 -0.490 0.000 1.206 408 W CA 1.912 58.730 57.345 -0.877 0.000 1.290 408 W CB -1.079 27.689 29.460 -1.154 0.000 1.152 408 W HN -0.096 nan 8.180 nan 0.000 0.489 409 N N 0.941 119.553 118.700 -0.147 0.000 2.166 409 N HA -0.208 4.532 4.740 0.000 0.000 0.186 409 N C 1.510 176.730 175.510 -0.483 0.000 1.019 409 N CA 1.979 54.737 53.050 -0.487 0.000 0.856 409 N CB -0.660 37.136 38.487 -1.153 0.000 0.993 409 N HN 0.259 nan 8.380 nan 0.000 0.426 410 E N 1.534 121.605 120.200 -0.214 0.000 2.077 410 E HA -0.072 4.278 4.350 0.000 0.000 0.193 410 E C 1.631 178.281 176.600 0.082 0.000 0.989 410 E CA 1.293 57.752 56.400 0.098 0.000 0.800 410 E CB 0.032 29.869 29.700 0.228 0.000 0.746 410 E HN 0.245 nan 8.360 nan 0.000 0.452 411 K N -0.393 120.041 120.400 0.057 0.000 2.063 411 K HA -0.115 4.205 4.320 0.000 0.000 0.208 411 K C 2.120 178.712 176.600 -0.014 0.000 1.048 411 K CA 1.492 57.800 56.287 0.034 0.000 0.928 411 K CB -0.178 32.336 32.500 0.023 0.000 0.713 411 K HN 0.044 nan 8.250 nan 0.000 0.442 412 V N 1.874 121.731 119.914 -0.094 0.000 2.270 412 V HA -0.262 3.859 4.120 0.000 0.000 0.245 412 V C 2.400 178.517 176.094 0.038 0.000 1.043 412 V CA 1.715 63.974 62.300 -0.069 0.000 1.014 412 V CB -0.449 31.304 31.823 -0.117 0.000 0.645 412 V HN 0.351 nan 8.190 nan 0.000 0.447 413 K N 0.224 120.647 120.400 0.039 0.000 2.032 413 K HA -0.256 4.064 4.320 0.000 0.000 0.209 413 K C 2.040 178.701 176.600 0.101 0.000 1.048 413 K CA 2.059 58.405 56.287 0.099 0.000 0.927 413 K CB -0.248 32.374 32.500 0.203 0.000 0.712 413 K HN 0.424 nan 8.250 nan 0.000 0.441 414 N N 0.318 119.086 118.700 0.112 0.000 2.120 414 N HA -0.182 4.558 4.740 0.000 0.000 0.188 414 N C 1.788 177.373 175.510 0.125 0.000 1.024 414 N CA 1.428 54.544 53.050 0.109 0.000 0.852 414 N CB -0.632 37.924 38.487 0.114 0.000 1.003 414 N HN 0.435 nan 8.380 nan 0.000 0.424 415 H N 0.656 119.759 119.070 0.055 0.000 2.321 415 H HA 0.076 4.632 4.556 0.000 0.000 0.300 415 H C 2.066 177.452 175.328 0.097 0.000 1.087 415 H CA 1.772 57.865 56.048 0.076 0.000 1.319 415 H CB -0.116 29.605 29.762 -0.069 0.000 1.379 415 H HN 0.110 nan 8.280 nan 0.000 0.501 416 M N -0.840 118.773 119.600 0.020 0.000 2.229 416 M HA -0.141 4.339 4.480 0.000 0.000 0.264 416 M C 1.817 178.164 176.300 0.079 0.000 1.063 416 M CA 1.151 56.467 55.300 0.026 0.000 1.114 416 M CB 0.035 32.710 32.600 0.124 0.000 1.387 416 M HN 0.351 nan 8.290 nan 0.000 0.420 417 M N -0.336 119.303 119.600 0.065 0.000 2.193 417 M HA -0.095 4.385 4.480 0.000 0.000 0.265 417 M C 1.921 178.223 176.300 0.004 0.000 1.071 417 M CA 1.655 57.002 55.300 0.078 0.000 1.140 417 M CB -1.041 31.585 32.600 0.043 0.000 1.369 417 M HN 0.305 nan 8.290 nan 0.000 0.423 418 Q N -0.774 118.981 119.800 -0.073 0.000 2.311 418 Q HA -0.064 4.276 4.340 0.000 0.000 0.203 418 Q C 0.100 175.790 176.000 -0.517 0.000 0.954 418 Q CA 0.771 56.428 55.803 -0.243 0.000 0.885 418 Q CB 0.222 28.833 28.738 -0.211 0.000 0.963 418 Q HN 0.543 nan 8.270 nan 0.000 0.471 419 H N -0.001 119.002 119.070 -0.112 0.000 2.379 419 H HA 0.189 4.745 4.556 0.001 0.000 0.229 419 H C 0.068 175.322 175.328 -0.123 0.000 1.423 419 H CA -0.097 55.885 56.048 -0.109 0.000 1.375 419 H CB 0.558 30.218 29.762 -0.170 0.000 1.592 419 H HN 0.250 nan 8.280 nan 0.000 0.507 420 Q N 0.670 120.463 119.800 -0.011 0.000 2.437 420 Q HA -0.111 4.229 4.340 0.000 0.000 0.210 420 Q C 1.821 177.790 176.000 -0.051 0.000 0.972 420 Q CA 0.839 56.612 55.803 -0.051 0.000 0.903 420 Q CB 0.416 29.096 28.738 -0.098 0.000 0.967 420 Q HN 0.526 nan 8.270 nan 0.000 0.486 421 E N 0.952 121.161 120.200 0.015 0.000 2.427 421 E HA -0.112 4.238 4.350 0.000 0.000 0.196 421 E C -0.336 176.302 176.600 0.064 0.000 1.028 421 E CA 0.573 56.993 56.400 0.033 0.000 0.864 421 E CB -0.011 29.727 29.700 0.062 0.000 0.813 421 E HN 0.169 nan 8.360 nan 0.000 0.514 422 D N 1.702 122.152 120.400 0.083 0.000 2.233 422 D HA 0.155 4.795 4.640 0.000 0.000 0.240 422 D C -1.675 174.670 176.300 0.074 0.000 1.074 422 D CA -2.201 51.870 54.000 0.118 0.000 0.838 422 D CB 1.713 42.607 40.800 0.155 0.000 1.124 422 D HN -0.188 nan 8.370 nan 0.000 0.475 423 P HA 0.129 nan 4.420 nan 0.000 0.255 423 P C -0.247 177.091 177.300 0.063 0.000 1.248 423 P CA 0.084 63.218 63.100 0.057 0.000 0.807 423 P CB 0.402 32.129 31.700 0.045 0.000 1.150 424 L N 1.972 123.240 121.223 0.076 0.000 2.331 424 L HA 0.375 4.715 4.340 0.000 0.000 0.275 424 L C -1.324 175.572 176.870 0.044 0.000 1.022 424 L CA -2.250 52.608 54.840 0.031 0.000 0.812 424 L CB 2.288 44.330 42.059 -0.028 0.000 1.257 424 L HN -0.285 nan 8.230 nan 0.000 0.435 425 P HA 0.081 nan 4.420 nan 0.000 0.249 425 P C 0.200 177.351 177.300 -0.248 0.000 1.229 425 P CA 0.514 63.602 63.100 -0.021 0.000 0.788 425 P CB 0.379 32.071 31.700 -0.014 0.000 1.072 426 I N 2.368 122.697 120.570 -0.401 0.000 2.371 426 I HA 0.223 4.393 4.170 0.000 0.000 0.290 426 I C -2.143 173.437 176.117 -0.896 0.000 1.028 426 I CA -2.778 58.219 61.300 -0.505 0.000 1.345 426 I CB 0.736 38.542 38.000 -0.323 0.000 1.407 426 I HN -0.240 nan 8.210 nan 0.000 0.501 427 P HA 0.020 nan 4.420 nan 0.000 0.269 427 P C 0.307 177.330 177.300 -0.463 0.000 1.209 427 P CA -0.009 62.687 63.100 -0.674 0.000 0.776 427 P CB 0.351 31.905 31.700 -0.244 0.000 0.876 428 F N 0.793 120.631 119.950 -0.187 0.000 2.202 428 F HA -0.145 4.382 4.527 -0.000 0.000 0.301 428 F C 1.574 177.338 175.800 -0.059 0.000 1.082 428 F CA 1.583 59.521 58.000 -0.104 0.000 1.313 428 F CB -1.069 37.882 39.000 -0.082 0.000 1.024 428 F HN 0.399 nan 8.300 nan 0.000 0.495 429 E N -0.472 119.806 120.200 0.130 0.000 2.394 429 E HA 0.036 4.386 4.350 0.000 0.000 0.191 429 E C -0.289 176.334 176.600 0.038 0.000 1.044 429 E CA -0.190 56.262 56.400 0.087 0.000 0.939 429 E CB -0.311 29.435 29.700 0.077 0.000 1.089 429 E HN 0.147 nan 8.360 nan 0.000 0.456 430 D N 2.274 122.678 120.400 0.006 0.000 2.417 430 D HA 0.052 4.692 4.640 0.000 0.000 0.250 430 D C -2.201 174.116 176.300 0.030 0.000 1.166 430 D CA -1.869 52.120 54.000 -0.017 0.000 0.881 430 D CB 0.762 41.514 40.800 -0.079 0.000 1.164 430 D HN -0.123 nan 8.370 nan 0.000 0.467 431 P HA 0.066 nan 4.420 nan 0.000 0.270 431 P C -0.418 176.995 177.300 0.190 0.000 1.223 431 P CA -0.312 62.873 63.100 0.142 0.000 0.785 431 P CB 0.376 32.134 31.700 0.097 0.000 0.923 432 E N 2.246 122.580 120.200 0.223 0.000 2.374 432 E HA 0.221 4.571 4.350 0.000 0.000 0.260 432 E C -2.500 174.136 176.600 0.059 0.000 1.101 432 E CA -2.061 54.398 56.400 0.098 0.000 0.907 432 E CB -0.859 28.862 29.700 0.035 0.000 1.014 432 E HN 0.214 nan 8.360 nan 0.000 0.427 433 P HA 0.076 nan 4.420 nan 0.000 0.271 433 P C -0.517 176.787 177.300 0.007 0.000 1.218 433 P CA 0.024 63.205 63.100 0.135 0.000 0.780 433 P CB 0.399 32.150 31.700 0.086 0.000 0.901 434 Q N 1.068 120.953 119.800 0.142 0.000 3.394 434 Q HA 0.303 4.643 4.340 0.000 0.000 0.285 434 Q C -1.084 175.001 176.000 0.141 0.000 0.866 434 Q CA -0.295 55.469 55.803 -0.065 0.000 0.844 434 Q CB 1.203 29.634 28.738 -0.512 0.000 1.472 434 Q HN 0.182 nan 8.270 nan 0.000 0.401 435 V N 0.579 120.544 119.914 0.085 0.000 2.581 435 V HA 0.718 4.838 4.120 0.000 0.000 0.303 435 V C 0.158 176.270 176.094 0.030 0.000 1.041 435 V CA -0.384 61.963 62.300 0.079 0.000 0.907 435 V CB 2.066 33.892 31.823 0.005 0.000 0.994 435 V HN 0.440 nan 8.190 nan 0.000 0.442 436 T N 1.729 116.329 114.554 0.077 0.000 2.900 436 T HA 0.491 4.841 4.350 0.000 0.000 0.303 436 T C -0.925 173.746 174.700 -0.048 0.000 1.142 436 T CA -0.320 61.779 62.100 -0.003 0.000 1.007 436 T CB 1.873 70.725 68.868 -0.026 0.000 1.156 436 T HN 0.808 nan 8.240 nan 0.000 0.490 437 T N 4.411 118.813 114.554 -0.254 0.000 2.772 437 T HA 0.608 4.959 4.350 0.000 0.000 0.288 437 T C -0.182 174.400 174.700 -0.196 0.000 0.994 437 T CA -0.592 61.202 62.100 -0.510 0.000 0.951 437 T CB -0.111 68.034 68.868 -1.205 0.000 0.933 437 T HN 0.503 nan 8.240 nan 0.000 0.447 438 L N 4.524 125.691 121.223 -0.093 0.000 2.452 438 L HA 0.410 4.750 4.340 0.000 0.000 0.267 438 L C 0.712 177.566 176.870 -0.027 0.000 1.188 438 L CA -0.954 53.902 54.840 0.027 0.000 0.821 438 L CB 0.237 42.306 42.059 0.016 0.000 1.102 438 L HN 0.628 nan 8.230 nan 0.000 0.470 439 F N 3.088 122.940 119.950 -0.163 0.000 2.537 439 F HA -0.104 4.423 4.527 -0.000 0.000 0.402 439 F C 0.211 175.721 175.800 -0.483 0.000 1.005 439 F CA 0.588 58.387 58.000 -0.335 0.000 1.203 439 F CB 0.078 38.954 39.000 -0.207 0.000 0.955 439 F HN 0.395 nan 8.300 nan 0.000 0.547 440 Q N 6.709 126.009 119.800 -0.832 0.000 2.456 440 Q HA 0.268 4.608 4.340 0.000 0.000 0.284 440 Q C -1.994 173.565 176.000 -0.736 0.000 1.061 440 Q CA -1.789 53.628 55.803 -0.643 0.000 0.799 440 Q CB 1.415 29.664 28.738 -0.814 0.000 1.445 440 Q HN 0.233 nan 8.270 nan 0.000 0.411 441 P HA -0.213 nan 4.420 nan 0.000 0.216 441 P C 1.208 178.300 177.300 -0.347 0.000 1.154 441 P CA 2.208 65.144 63.100 -0.273 0.000 0.865 441 P CB 0.204 31.833 31.700 -0.119 0.000 0.789 442 S N -1.550 113.964 115.700 -0.311 0.000 2.522 442 S HA -0.122 4.348 4.470 0.000 0.000 0.227 442 S C 0.569 175.001 174.600 -0.280 0.000 0.986 442 S CA 0.341 58.422 58.200 -0.197 0.000 0.929 442 S CB -1.305 61.877 63.200 -0.030 0.000 0.769 442 S HN 0.456 nan 8.310 nan 0.000 0.529 443 H N -1.386 117.236 119.070 -0.747 0.000 2.562 443 H HA 0.458 5.014 4.556 0.000 0.000 0.230 443 H C -3.171 171.034 175.328 -1.872 0.000 1.415 443 H CA -1.805 53.415 56.048 -1.380 0.000 1.454 443 H CB 0.459 29.698 29.762 -0.871 0.000 1.716 443 H HN 0.079 nan 8.280 nan 0.000 0.538 444 P HA 0.048 nan 4.420 nan 0.000 0.225 444 P C -1.216 175.455 177.300 -1.047 0.000 1.768 444 P CA 0.276 62.269 63.100 -1.844 0.000 0.943 444 P CB -1.103 30.089 31.700 -0.848 0.000 1.936 445 W N -0.684 120.292 121.300 -0.540 0.000 3.167 445 W HA 0.527 5.189 4.660 0.003 0.000 0.324 445 W C -0.801 175.810 176.519 0.153 0.000 1.230 445 W CA -1.290 56.079 57.345 0.040 0.000 1.184 445 W CB 0.094 29.607 29.460 0.088 0.000 1.414 445 W HN -0.042 nan 8.180 nan 0.000 0.551 446 H N 0.979 120.318 119.070 0.450 0.000 2.505 446 H HA 0.722 5.278 4.556 0.000 0.000 0.355 446 H C -0.184 175.300 175.328 0.261 0.000 1.179 446 H CA 0.481 56.687 56.048 0.263 0.000 1.343 446 H CB 1.535 31.390 29.762 0.156 0.000 1.501 446 H HN 0.582 nan 8.280 nan 0.000 0.569 447 T N 1.829 116.023 114.554 -0.601 0.000 2.912 447 T HA 0.506 4.856 4.350 0.000 0.000 0.299 447 T C -0.883 173.513 174.700 -0.507 0.000 1.052 447 T CA -1.120 60.670 62.100 -0.516 0.000 0.996 447 T CB 1.699 70.160 68.868 -0.677 0.000 1.070 447 T HN 0.668 nan 8.240 nan 0.000 0.465 448 Q N 1.653 121.358 119.800 -0.158 0.000 2.285 448 Q HA 0.572 4.912 4.340 0.000 0.000 0.269 448 Q C -1.259 174.656 176.000 -0.143 0.000 1.030 448 Q CA -0.675 54.963 55.803 -0.275 0.000 0.788 448 Q CB 2.712 31.110 28.738 -0.567 0.000 1.266 448 Q HN 0.722 nan 8.270 nan 0.000 0.438 449 I N 3.498 123.950 120.570 -0.197 0.000 2.495 449 I HA 0.385 4.556 4.170 0.000 0.000 0.277 449 I C -0.457 175.574 176.117 -0.142 0.000 1.045 449 I CA -0.315 60.755 61.300 -0.382 0.000 1.135 449 I CB 0.487 38.123 38.000 -0.605 0.000 1.241 449 I HN 0.748 nan 8.210 nan 0.000 0.469 450 H N 3.715 122.618 119.070 -0.278 0.000 2.917 450 H HA 0.646 5.203 4.556 0.001 0.000 0.269 450 H C -1.242 174.024 175.328 -0.103 0.000 1.488 450 H CA -1.356 54.600 56.048 -0.153 0.000 1.173 450 H CB 1.411 31.103 29.762 -0.117 0.000 1.868 450 H HN 0.124 nan 8.280 nan 0.000 0.600 451 R N 1.340 121.686 120.500 -0.256 0.000 2.483 451 R HA 0.269 4.609 4.340 0.000 0.000 0.303 451 R C -1.460 174.606 176.300 -0.391 0.000 0.987 451 R CA -0.669 55.238 56.100 -0.321 0.000 0.881 451 R CB 1.613 31.838 30.300 -0.124 0.000 1.177 451 R HN 0.739 nan 8.270 nan 0.000 0.451 452 D N 1.316 121.432 120.400 -0.473 0.000 2.181 452 D HA 0.341 4.981 4.640 0.000 0.000 0.248 452 D C 0.710 176.923 176.300 -0.146 0.000 1.020 452 D CA -0.245 53.575 54.000 -0.299 0.000 0.891 452 D CB 2.131 42.789 40.800 -0.237 0.000 1.187 452 D HN 0.482 nan 8.370 nan 0.000 0.443 453 A N 3.908 126.673 122.820 -0.093 0.000 1.898 453 A HA -0.140 4.180 4.320 0.000 0.000 0.216 453 A C 1.339 178.922 177.584 -0.003 0.000 1.181 453 A CA 0.870 52.904 52.037 -0.004 0.000 0.620 453 A CB -0.351 18.721 19.000 0.120 0.000 0.819 453 A HN 0.619 nan 8.150 nan 0.000 0.442 462 S N 0.014 115.731 115.700 0.028 0.000 2.414 462 S HA 0.122 4.592 4.470 0.000 0.000 0.227 462 S C 0.818 175.437 174.600 0.031 0.000 1.022 462 S CA 0.366 58.583 58.200 0.027 0.000 0.958 462 S CB 0.316 63.531 63.200 0.023 0.000 0.797 462 S HN 0.187 nan 8.310 nan 0.000 0.493 463 I N 3.000 123.590 120.570 0.034 0.000 2.395 463 I HA 0.225 4.395 4.170 0.000 0.000 0.289 463 I C 0.410 176.553 176.117 0.044 0.000 1.023 463 I CA -0.744 60.578 61.300 0.037 0.000 1.350 463 I CB 0.661 38.683 38.000 0.038 0.000 1.409 463 I HN 0.211 nan 8.210 nan 0.000 0.507 464 D N 4.182 124.611 120.400 0.048 0.000 2.487 464 D HA -0.063 4.577 4.640 0.000 0.000 0.243 464 D C 1.181 177.514 176.300 0.055 0.000 1.154 464 D CA 0.179 54.215 54.000 0.059 0.000 0.876 464 D CB 1.146 41.987 40.800 0.068 0.000 1.161 464 D HN 0.655 nan 8.370 nan 0.000 0.478 465 S N 4.217 119.952 115.700 0.059 0.000 2.447 465 S HA -0.151 4.319 4.470 0.000 0.000 0.233 465 S C 1.699 176.326 174.600 0.045 0.000 1.006 465 S CA 0.435 58.666 58.200 0.052 0.000 0.957 465 S CB -0.010 63.222 63.200 0.052 0.000 0.773 465 S HN 0.538 nan 8.310 nan 0.000 0.507 466 R N 0.746 121.273 120.500 0.044 0.000 2.200 466 R HA 0.107 4.447 4.340 0.000 0.000 0.234 466 R C 1.816 178.124 176.300 0.014 0.000 1.127 466 R CA 1.315 57.425 56.100 0.016 0.000 0.989 466 R CB -0.555 29.736 30.300 -0.015 0.000 0.869 466 R HN 0.468 nan 8.270 nan 0.000 0.459 467 L N 0.260 121.500 121.223 0.028 0.000 2.418 467 L HA 0.110 4.451 4.340 0.000 0.000 0.218 467 L C 0.730 177.632 176.870 0.052 0.000 1.125 467 L CA 0.171 55.031 54.840 0.034 0.000 0.835 467 L CB 0.089 42.169 42.059 0.035 0.000 0.953 467 L HN 0.063 nan 8.230 nan 0.000 0.454 468 I N 0.517 121.119 120.570 0.052 0.000 2.365 468 I HA 0.210 4.380 4.170 0.000 0.000 0.291 468 I C -0.563 175.591 176.117 0.062 0.000 1.004 468 I CA -0.311 61.029 61.300 0.066 0.000 1.311 468 I CB 1.582 39.618 38.000 0.060 0.000 1.401 468 I HN -0.266 nan 8.210 nan 0.000 0.491 469 V N 5.096 125.070 119.914 0.099 0.000 2.656 469 V HA 0.354 4.474 4.120 0.000 0.000 0.307 469 V C -0.737 175.392 176.094 0.058 0.000 1.051 469 V CA -0.846 61.478 62.300 0.039 0.000 0.893 469 V CB 2.170 34.012 31.823 0.031 0.000 0.999 469 V HN 0.577 nan 8.190 nan 0.000 0.426 470 D N 2.181 122.543 120.400 -0.063 0.000 2.193 470 D HA 0.520 5.161 4.640 0.000 0.000 0.249 470 D C -1.064 175.187 176.300 -0.080 0.000 1.034 470 D CA 0.063 54.085 54.000 0.037 0.000 0.902 470 D CB 1.429 42.250 40.800 0.035 0.000 1.182 470 D HN 0.449 nan 8.370 nan 0.000 0.436 471 W N 1.211 122.547 121.300 0.060 0.000 2.683 471 W HA 0.475 5.134 4.660 -0.002 0.000 0.329 471 W C 0.118 176.716 176.519 0.132 0.000 1.037 471 W CA -0.845 56.567 57.345 0.112 0.000 1.232 471 W CB 1.357 30.770 29.460 -0.078 0.000 1.390 471 W HN -0.074 nan 8.180 nan 0.000 0.465 472 R N 2.905 123.656 120.500 0.419 0.000 2.502 472 R HA 0.513 4.853 4.340 0.000 0.000 0.298 472 R C -1.607 174.864 176.300 0.285 0.000 1.018 472 R CA -0.862 55.354 56.100 0.193 0.000 0.899 472 R CB 1.694 32.060 30.300 0.111 0.000 1.181 472 R HN 0.187 nan 8.270 nan 0.000 0.444 473 F N 2.904 122.706 119.950 -0.247 0.000 2.495 473 F HA 0.516 5.044 4.527 0.002 0.000 0.327 473 F C -0.391 175.284 175.800 -0.207 0.000 1.103 473 F CA -1.408 56.544 58.000 -0.079 0.000 0.949 473 F CB 1.172 40.092 39.000 -0.134 0.000 1.142 473 F HN 0.300 nan 8.300 nan 0.000 0.457 474 F N 1.343 121.479 119.950 0.310 0.000 2.460 474 F HA 0.639 5.168 4.527 0.003 0.000 0.341 474 F C 0.619 176.619 175.800 0.333 0.000 1.130 474 F CA -1.152 57.029 58.000 0.301 0.000 0.962 474 F CB 1.441 40.670 39.000 0.383 0.000 1.171 474 F HN 0.523 nan 8.300 nan 0.000 0.436 475 G N 2.218 111.252 108.800 0.390 0.000 2.451 475 G HA2 0.612 4.572 3.960 0.000 0.000 0.303 475 G HA3 0.612 4.572 3.960 0.000 0.000 0.303 475 G C -0.753 174.325 174.900 0.297 0.000 1.166 475 G CA -1.025 44.285 45.100 0.351 0.000 0.884 475 G HN 0.707 nan 8.290 nan 0.000 0.514 476 R N -0.690 119.982 120.500 0.287 0.000 2.486 476 R HA 0.659 4.999 4.340 0.000 0.000 0.286 476 R C -0.963 175.431 176.300 0.156 0.000 0.999 476 R CA -0.572 55.627 56.100 0.164 0.000 0.993 476 R CB 1.280 31.699 30.300 0.199 0.000 1.084 476 R HN 0.265 nan 8.270 nan 0.000 0.487 477 T N 2.423 117.038 114.554 0.102 0.000 2.792 477 T HA 0.173 4.523 4.350 0.000 0.000 0.280 477 T C -0.801 173.982 174.700 0.138 0.000 0.990 477 T CA -0.747 61.465 62.100 0.187 0.000 0.960 477 T CB 1.263 70.309 68.868 0.297 0.000 0.939 477 T HN 0.591 nan 8.240 nan 0.000 0.439 478 E N 4.196 124.480 120.200 0.141 0.000 2.384 478 E HA 0.180 4.531 4.350 0.000 0.000 0.266 478 E C -2.249 174.433 176.600 0.137 0.000 1.012 478 E CA -1.587 54.887 56.400 0.123 0.000 0.901 478 E CB 0.252 30.015 29.700 0.105 0.000 0.967 478 E HN 0.285 nan 8.360 nan 0.000 0.435 479 P HA 0.128 nan 4.420 nan 0.000 0.276 479 P C -0.921 176.528 177.300 0.247 0.000 1.235 479 P CA -0.115 63.127 63.100 0.235 0.000 0.772 479 P CB 0.696 32.560 31.700 0.274 0.000 0.871 480 K N 2.367 122.854 120.400 0.145 0.000 2.468 480 K HA 0.169 4.490 4.320 0.000 0.000 0.252 480 K C 0.842 177.258 176.600 -0.307 0.000 0.932 480 K CA -0.659 55.621 56.287 -0.011 0.000 0.794 480 K CB 2.429 34.897 32.500 -0.054 0.000 1.241 480 K HN 0.447 nan 8.250 nan 0.000 0.428 481 E N 2.106 121.965 120.200 -0.568 0.000 2.153 481 E HA -0.202 4.148 4.350 0.000 0.000 0.194 481 E C 1.007 177.353 176.600 -0.423 0.000 0.988 481 E CA 1.468 57.295 56.400 -0.955 0.000 0.811 481 E CB 0.474 29.820 29.700 -0.590 0.000 0.746 481 E HN 0.543 nan 8.360 nan 0.000 0.466 482 E N 0.319 120.372 120.200 -0.246 0.000 2.347 482 E HA -0.121 4.229 4.350 0.000 0.000 0.196 482 E C -0.009 176.532 176.600 -0.099 0.000 1.008 482 E CA 0.367 56.682 56.400 -0.142 0.000 0.852 482 E CB -0.264 29.367 29.700 -0.115 0.000 0.783 482 E HN 0.088 nan 8.360 nan 0.000 0.505 483 N N 2.023 120.657 118.700 -0.110 0.000 2.406 483 N HA 0.178 4.918 4.740 0.000 0.000 0.251 483 N C -0.732 174.843 175.510 0.109 0.000 1.069 483 N CA 0.096 53.137 53.050 -0.015 0.000 0.947 483 N CB 1.144 39.590 38.487 -0.068 0.000 1.111 483 N HN 0.117 nan 8.380 nan 0.000 0.497 484 K N 1.192 121.705 120.400 0.188 0.000 2.375 484 K HA 0.473 4.793 4.320 0.000 0.000 0.249 484 K C -1.035 175.719 176.600 0.257 0.000 0.942 484 K CA -0.957 55.461 56.287 0.218 0.000 0.806 484 K CB 2.427 35.063 32.500 0.227 0.000 1.227 484 K HN 0.169 nan 8.250 nan 0.000 0.430 485 L N 3.911 125.233 121.223 0.166 0.000 2.305 485 L HA 0.550 4.890 4.340 0.000 0.000 0.284 485 L C -1.249 175.560 176.870 -0.102 0.000 1.013 485 L CA -0.102 54.668 54.840 -0.115 0.000 0.819 485 L CB 0.532 42.519 42.059 -0.120 0.000 1.227 485 L HN 0.706 nan 8.230 nan 0.000 0.417 486 W N 3.680 124.701 121.300 -0.466 0.000 3.017 486 W HA 0.655 5.316 4.660 0.002 0.000 0.341 486 W C -2.155 173.921 176.519 -0.739 0.000 1.180 486 W CA -1.238 55.882 57.345 -0.375 0.000 1.097 486 W CB 0.946 30.337 29.460 -0.114 0.000 1.468 486 W HN 0.333 nan 8.180 nan 0.000 0.584 487 F N 1.405 121.556 119.950 0.335 0.000 2.539 487 F HA 0.319 4.847 4.527 0.001 0.000 0.318 487 F C 0.742 176.713 175.800 0.285 0.000 1.135 487 F CA -0.909 57.166 58.000 0.126 0.000 0.915 487 F CB 2.074 41.124 39.000 0.082 0.000 1.176 487 F HN 0.250 nan 8.300 nan 0.000 0.440 488 S N 1.278 117.139 115.700 0.267 0.000 2.560 488 S HA 0.012 4.482 4.470 0.000 0.000 0.284 488 S C 0.815 175.563 174.600 0.247 0.000 1.327 488 S CA -0.376 58.004 58.200 0.300 0.000 1.055 488 S CB 0.303 63.588 63.200 0.142 0.000 0.868 488 S HN 0.699 nan 8.310 nan 0.000 0.506 489 D N 2.868 123.397 120.400 0.216 0.000 2.340 489 D HA 0.033 4.674 4.640 0.000 0.000 0.220 489 D C 0.982 177.342 176.300 0.100 0.000 1.039 489 D CA 0.321 54.403 54.000 0.137 0.000 0.866 489 D CB 0.052 40.915 40.800 0.104 0.000 0.913 489 D HN 0.688 nan 8.370 nan 0.000 0.523 490 K N -0.405 120.058 120.400 0.105 0.000 2.550 490 K HA 0.091 4.411 4.320 0.000 0.000 0.205 490 K C 0.070 176.711 176.600 0.068 0.000 1.429 490 K CA -0.287 56.046 56.287 0.076 0.000 0.997 490 K CB 0.550 33.093 32.500 0.072 0.000 1.328 490 K HN -0.101 nan 8.250 nan 0.000 0.546 491 I N 4.101 124.716 120.570 0.075 0.000 2.428 491 I HA 0.189 4.359 4.170 0.000 0.000 0.289 491 I C 0.375 176.528 176.117 0.061 0.000 1.019 491 I CA -0.099 61.235 61.300 0.056 0.000 1.351 491 I CB 1.069 39.093 38.000 0.040 0.000 1.412 491 I HN 0.276 nan 8.210 nan 0.000 0.513 492 T N 1.328 115.913 114.554 0.051 0.000 2.924 492 T HA 0.615 4.965 4.350 0.000 0.000 0.291 492 T C -0.382 174.353 174.700 0.058 0.000 1.045 492 T CA -0.926 61.211 62.100 0.061 0.000 1.015 492 T CB 2.324 71.223 68.868 0.051 0.000 1.103 492 T HN 0.540 nan 8.240 nan 0.000 0.496 493 D N 0.579 121.030 120.400 0.085 0.000 2.478 493 D HA 0.473 5.114 4.640 0.000 0.000 0.269 493 D C 1.581 177.918 176.300 0.061 0.000 1.232 493 D CA -0.500 53.557 54.000 0.094 0.000 1.059 493 D CB 0.129 41.028 40.800 0.165 0.000 1.104 493 D HN 0.642 nan 8.370 nan 0.000 0.566 494 A N -1.172 121.669 122.820 0.035 0.000 2.070 494 A HA -0.132 4.188 4.320 0.000 0.000 0.220 494 A C 1.246 178.654 177.584 -0.292 0.000 1.159 494 A CA 0.911 52.867 52.037 -0.134 0.000 0.656 494 A CB -1.010 17.868 19.000 -0.203 0.000 0.800 494 A HN 0.566 nan 8.150 nan 0.000 0.453 495 Y N -1.128 119.193 120.300 0.036 0.000 2.625 495 Y HA 0.225 4.775 4.550 -0.000 0.000 0.285 495 Y C 0.837 176.756 175.900 0.032 0.000 1.168 495 Y CA -0.098 58.025 58.100 0.039 0.000 1.250 495 Y CB -0.477 37.994 38.460 0.019 0.000 1.130 495 Y HN 0.450 nan 8.280 nan 0.000 0.526 496 N N -0.331 118.427 118.700 0.097 0.000 2.714 496 N HA -0.182 4.559 4.740 0.000 0.000 0.250 496 N C -0.615 174.935 175.510 0.067 0.000 1.117 496 N CA 0.625 53.712 53.050 0.061 0.000 0.719 496 N CB -0.471 38.030 38.487 0.024 0.000 1.081 496 N HN 0.162 nan 8.380 nan 0.000 0.557 497 M N -0.229 119.432 119.600 0.101 0.000 2.528 497 M HA 0.417 4.898 4.480 0.000 0.000 0.318 497 M C -2.132 174.230 176.300 0.103 0.000 1.195 497 M CA -1.896 53.452 55.300 0.079 0.000 1.000 497 M CB 0.590 33.236 32.600 0.077 0.000 1.615 497 M HN -0.260 nan 8.290 nan 0.000 0.469 498 P HA 0.002 nan 4.420 nan 0.000 0.264 498 P C -0.651 176.808 177.300 0.265 0.000 1.193 498 P CA 0.072 63.270 63.100 0.162 0.000 0.763 498 P CB 0.215 32.015 31.700 0.166 0.000 0.810 499 Q N 6.862 126.763 119.800 0.168 0.000 2.297 499 Q HA 0.190 4.530 4.340 0.000 0.000 0.267 499 Q C -2.291 173.687 176.000 -0.037 0.000 1.006 499 Q CA -1.980 53.872 55.803 0.082 0.000 0.896 499 Q CB -0.186 28.553 28.738 0.001 0.000 1.186 499 Q HN 0.285 nan 8.270 nan 0.000 0.392 500 P HA 0.097 nan 4.420 nan 0.000 0.268 500 P C -1.069 175.752 177.300 -0.799 0.000 1.205 500 P CA -0.066 62.628 63.100 -0.677 0.000 0.771 500 P CB 0.959 32.340 31.700 -0.532 0.000 0.858 501 T N 2.982 116.831 114.554 -1.175 0.000 2.921 501 T HA 0.504 4.854 4.350 0.000 0.000 0.297 501 T C -0.585 173.434 174.700 -1.135 0.000 1.013 501 T CA -0.137 61.273 62.100 -1.150 0.000 0.990 501 T CB 0.457 68.298 68.868 -1.712 0.000 1.023 501 T HN 0.036 nan 8.240 nan 0.000 0.447 502 F N 1.867 121.540 119.950 -0.462 0.000 2.397 502 F HA 0.524 5.051 4.527 0.000 0.000 0.331 502 F C 0.740 176.485 175.800 -0.091 0.000 1.090 502 F CA -0.907 56.948 58.000 -0.243 0.000 1.065 502 F CB 1.020 39.930 39.000 -0.149 0.000 1.184 502 F HN 0.394 nan 8.300 nan 0.000 0.499 503 D N 3.099 123.664 120.400 0.274 0.000 2.408 503 D HA 0.200 4.840 4.640 0.000 0.000 0.261 503 D C -1.775 174.656 176.300 0.219 0.000 1.190 503 D CA -0.108 54.041 54.000 0.247 0.000 0.910 503 D CB 0.350 41.324 40.800 0.290 0.000 1.097 503 D HN 0.299 nan 8.370 nan 0.000 0.522 504 F N 3.325 123.272 119.950 -0.005 0.000 2.547 504 F HA 0.575 5.102 4.527 -0.000 0.000 0.316 504 F C -0.970 174.723 175.800 -0.179 0.000 1.121 504 F CA -0.602 57.327 58.000 -0.119 0.000 0.911 504 F CB 1.307 40.173 39.000 -0.223 0.000 1.179 504 F HN 0.014 nan 8.300 nan 0.000 0.443 505 R N 4.459 124.451 120.500 -0.847 0.000 2.725 505 R HA 0.351 4.691 4.340 0.000 0.000 0.277 505 R C -1.589 174.105 176.300 -1.010 0.000 0.987 505 R CA -0.979 54.724 56.100 -0.663 0.000 0.901 505 R CB 1.760 31.893 30.300 -0.279 0.000 1.207 505 R HN 0.570 nan 8.270 nan 0.000 0.463 506 F N 2.763 122.506 119.950 -0.346 0.000 2.578 506 F HA 0.149 4.675 4.527 -0.001 0.000 0.381 506 F C -1.316 174.362 175.800 -0.204 0.000 1.069 506 F CA -1.089 56.779 58.000 -0.221 0.000 1.231 506 F CB -0.220 38.769 39.000 -0.018 0.000 1.086 506 F HN 0.136 nan 8.300 nan 0.000 0.564 507 P HA -0.003 nan 4.420 nan 0.000 0.265 507 P C 0.057 177.371 177.300 0.023 0.000 1.187 507 P CA 0.213 63.296 63.100 -0.028 0.000 0.766 507 P CB 0.792 32.487 31.700 -0.009 0.000 0.820 508 A N 3.212 126.031 122.820 -0.001 0.000 2.066 508 A HA 0.069 4.390 4.320 0.000 0.000 0.218 508 A C 1.691 179.284 177.584 0.015 0.000 1.157 508 A CA 1.814 53.854 52.037 0.004 0.000 0.670 508 A CB -1.067 17.927 19.000 -0.009 0.000 0.804 508 A HN 0.622 nan 8.150 nan 0.000 0.453 509 G N -1.017 107.798 108.800 0.025 0.000 3.199 509 G HA2 0.119 4.079 3.960 0.000 0.000 0.184 509 G HA3 0.119 4.079 3.960 0.000 0.000 0.184 509 G C 1.325 176.253 174.900 0.047 0.000 1.974 509 G CA 0.351 45.470 45.100 0.032 0.000 0.885 509 G HN 0.322 nan 8.290 nan 0.000 0.575 510 R N -0.584 119.951 120.500 0.058 0.000 2.083 510 R HA -0.092 4.248 4.340 0.000 0.000 0.237 510 R C 2.723 179.078 176.300 0.091 0.000 1.137 510 R CA 2.105 58.250 56.100 0.074 0.000 0.951 510 R CB -0.774 29.573 30.300 0.079 0.000 0.851 510 R HN 0.422 nan 8.270 nan 0.000 0.434 511 T N 0.102 114.714 114.554 0.097 0.000 2.665 511 T HA -0.135 4.215 4.350 0.000 0.000 0.268 511 T C 1.924 176.673 174.700 0.083 0.000 1.035 511 T CA 1.918 64.090 62.100 0.119 0.000 1.151 511 T CB -0.195 68.765 68.868 0.153 0.000 0.862 511 T HN 0.284 nan 8.240 nan 0.000 0.438 512 S N 0.506 116.240 115.700 0.056 0.000 2.371 512 S HA -0.016 4.454 4.470 0.000 0.000 0.224 512 S C 2.011 176.618 174.600 0.012 0.000 1.029 512 S CA 0.928 59.131 58.200 0.005 0.000 0.978 512 S CB -0.185 63.014 63.200 -0.001 0.000 0.833 512 S HN 0.521 nan 8.310 nan 0.000 0.466 513 K N 1.470 121.894 120.400 0.040 0.000 2.032 513 K HA -0.155 4.165 4.320 0.000 0.000 0.209 513 K C 1.881 178.532 176.600 0.085 0.000 1.048 513 K CA 1.544 57.863 56.287 0.053 0.000 0.927 513 K CB -0.130 32.406 32.500 0.060 0.000 0.712 513 K HN 0.353 nan 8.250 nan 0.000 0.441 514 E N -0.168 120.107 120.200 0.125 0.000 2.106 514 E HA -0.168 4.182 4.350 0.000 0.000 0.192 514 E C 1.967 178.645 176.600 0.131 0.000 0.984 514 E CA 0.876 57.403 56.400 0.212 0.000 0.806 514 E CB -0.085 29.775 29.700 0.268 0.000 0.750 514 E HN 0.470 nan 8.360 nan 0.000 0.458 515 A N 1.369 124.236 122.820 0.079 0.000 1.902 515 A HA -0.245 4.076 4.320 0.000 0.000 0.217 515 A C 2.080 179.721 177.584 0.095 0.000 1.181 515 A CA 1.774 53.850 52.037 0.065 0.000 0.623 515 A CB -0.348 18.650 19.000 -0.004 0.000 0.818 515 A HN 0.124 nan 8.150 nan 0.000 0.443 516 E N 0.428 120.668 120.200 0.067 0.000 2.107 516 E HA -0.133 4.217 4.350 0.000 0.000 0.191 516 E C 1.321 177.895 176.600 -0.043 0.000 0.982 516 E CA 1.403 57.844 56.400 0.068 0.000 0.809 516 E CB -0.292 29.426 29.700 0.030 0.000 0.756 516 E HN 0.508 nan 8.360 nan 0.000 0.459 517 D N -0.068 120.304 120.400 -0.047 0.000 2.144 517 D HA -0.183 4.457 4.640 0.000 0.000 0.199 517 D C 1.901 177.956 176.300 -0.408 0.000 0.984 517 D CA 1.128 55.084 54.000 -0.073 0.000 0.834 517 D CB -0.313 40.568 40.800 0.136 0.000 0.955 517 D HN 0.314 nan 8.370 nan 0.000 0.465 518 M N -0.277 118.856 119.600 -0.780 0.000 2.117 518 M HA -0.217 4.264 4.480 0.000 0.000 0.262 518 M C 2.059 177.936 176.300 -0.706 0.000 1.065 518 M CA 1.243 55.757 55.300 -1.310 0.000 1.114 518 M CB -0.001 32.058 32.600 -0.902 0.000 1.361 518 M HN -0.036 nan 8.290 nan 0.000 0.408 519 M N 0.383 119.697 119.600 -0.477 0.000 2.073 519 M HA -0.178 4.303 4.480 0.000 0.000 0.258 519 M C 1.831 177.912 176.300 -0.366 0.000 1.070 519 M CA 2.482 57.505 55.300 -0.461 0.000 1.103 519 M CB -1.002 31.397 32.600 -0.336 0.000 1.321 519 M HN 0.280 nan 8.290 nan 0.000 0.405 520 T N -0.098 114.310 114.554 -0.243 0.000 2.759 520 T HA -0.169 4.181 4.350 0.000 0.000 0.269 520 T C 1.497 176.115 174.700 -0.137 0.000 1.042 520 T CA 1.773 63.783 62.100 -0.150 0.000 1.140 520 T CB -0.605 68.222 68.868 -0.069 0.000 0.864 520 T HN 0.519 nan 8.240 nan 0.000 0.455 521 D N 0.517 120.825 120.400 -0.153 0.000 2.144 521 D HA -0.042 4.599 4.640 0.000 0.000 0.199 521 D C 2.033 178.301 176.300 -0.054 0.000 0.984 521 D CA 0.775 54.801 54.000 0.044 0.000 0.834 521 D CB -0.221 40.730 40.800 0.252 0.000 0.955 521 D HN 0.300 nan 8.370 nan 0.000 0.465 522 M N -0.553 118.755 119.600 -0.487 0.000 2.175 522 M HA -0.146 4.334 4.480 0.000 0.000 0.264 522 M C 1.869 177.876 176.300 -0.488 0.000 1.063 522 M CA 1.213 55.968 55.300 -0.908 0.000 1.119 522 M CB -0.108 31.685 32.600 -1.345 0.000 1.377 522 M HN 0.171 nan 8.290 nan 0.000 0.415 523 C N -0.270 118.841 119.300 -0.315 0.000 2.429 523 C HA -0.100 4.360 4.460 0.000 0.000 0.277 523 C C 2.667 177.562 174.990 -0.159 0.000 1.262 523 C CA 0.792 59.730 59.018 -0.134 0.000 1.733 523 C CB -0.997 26.715 27.740 -0.046 0.000 2.010 523 C HN 0.487 nan 8.230 nan 0.000 0.483 524 V N 0.680 120.530 119.914 -0.107 0.000 2.307 524 V HA -0.293 3.827 4.120 0.000 0.000 0.245 524 V C 2.411 178.480 176.094 -0.041 0.000 1.045 524 V CA 2.306 64.575 62.300 -0.052 0.000 1.024 524 V CB -0.667 31.176 31.823 0.034 0.000 0.651 524 V HN 0.593 nan 8.190 nan 0.000 0.449 525 M N 0.692 120.308 119.600 0.026 0.000 2.132 525 M HA -0.153 4.328 4.480 0.000 0.000 0.263 525 M C 2.480 178.662 176.300 -0.196 0.000 1.065 525 M CA 2.242 57.638 55.300 0.160 0.000 1.122 525 M CB -0.179 32.688 32.600 0.445 0.000 1.365 525 M HN 0.553 nan 8.290 nan 0.000 0.411 526 S N 0.646 115.919 115.700 -0.712 0.000 2.382 526 S HA -0.072 4.398 4.470 0.000 0.000 0.228 526 S C 2.012 176.215 174.600 -0.661 0.000 1.027 526 S CA 1.036 58.383 58.200 -1.422 0.000 0.991 526 S CB -0.926 61.248 63.200 -1.709 0.000 0.823 526 S HN 0.576 nan 8.310 nan 0.000 0.469 527 A N 1.859 124.399 122.820 -0.468 0.000 2.131 527 A HA -0.036 4.284 4.320 0.000 0.000 0.220 527 A C 2.152 179.610 177.584 -0.211 0.000 1.158 527 A CA 1.445 53.267 52.037 -0.357 0.000 0.665 527 A CB -0.561 18.250 19.000 -0.316 0.000 0.795 527 A HN 0.659 nan 8.150 nan 0.000 0.460 528 K N -0.751 119.565 120.400 -0.140 0.000 2.296 528 K HA 0.081 4.401 4.320 0.000 0.000 0.200 528 K C 1.171 177.764 176.600 -0.012 0.000 1.048 528 K CA 0.644 56.896 56.287 -0.058 0.000 0.966 528 K CB 0.050 32.546 32.500 -0.006 0.000 0.754 528 K HN 0.401 nan 8.250 nan 0.000 0.466 529 I N -0.576 120.007 120.570 0.021 0.000 2.927 529 I HA 0.151 4.321 4.170 0.000 0.000 0.268 529 I C 1.108 177.246 176.117 0.036 0.000 1.153 529 I CA 0.593 61.954 61.300 0.101 0.000 1.459 529 I CB -0.047 38.157 38.000 0.339 0.000 1.149 529 I HN 0.104 nan 8.210 nan 0.000 0.443 530 G N -0.627 108.141 108.800 -0.054 0.000 2.328 530 G HA2 0.435 4.395 3.960 0.000 0.000 0.295 530 G HA3 0.435 4.395 3.960 0.000 0.000 0.295 530 G C -0.561 174.206 174.900 -0.221 0.000 1.413 530 G CA -0.217 44.829 45.100 -0.091 0.000 0.817 530 G HN 0.283 nan 8.290 nan 0.000 0.546 531 G N -1.090 107.579 108.800 -0.219 0.000 2.606 531 G HA2 0.528 4.488 3.960 0.000 0.000 0.252 531 G HA3 0.528 4.488 3.960 0.000 0.000 0.252 531 G C -0.207 174.542 174.900 -0.251 0.000 1.206 531 G CA -0.422 44.470 45.100 -0.348 0.000 0.861 531 G HN 0.452 nan 8.290 nan 0.000 0.561 532 F N -0.758 119.108 119.950 -0.140 0.000 2.506 532 F HA 0.216 4.745 4.527 0.002 0.000 0.351 532 F C 0.716 176.462 175.800 -0.090 0.000 1.136 532 F CA -0.755 57.157 58.000 -0.148 0.000 1.298 532 F CB 0.737 39.637 39.000 -0.165 0.000 1.145 532 F HN 0.187 nan 8.300 nan 0.000 0.593 533 L N 5.645 126.946 121.223 0.129 0.000 2.313 533 L HA 0.411 4.751 4.340 0.000 0.000 0.282 533 L C -2.428 174.475 176.870 0.054 0.000 1.092 533 L CA -1.867 53.015 54.840 0.069 0.000 0.831 533 L CB 0.123 42.216 42.059 0.057 0.000 1.159 533 L HN 0.278 nan 8.230 nan 0.000 0.442 534 P HA 0.195 nan 4.420 nan 0.000 0.264 534 P C 0.627 177.940 177.300 0.022 0.000 1.183 534 P CA 0.974 64.091 63.100 0.029 0.000 0.763 534 P CB 0.679 32.394 31.700 0.026 0.000 0.807 535 G N 2.064 110.870 108.800 0.010 0.000 2.205 535 G HA2 -0.243 3.718 3.960 0.000 0.000 0.261 535 G HA3 -0.243 3.718 3.960 0.000 0.000 0.261 535 G C 0.408 175.329 174.900 0.035 0.000 0.980 535 G CA 0.264 45.375 45.100 0.018 0.000 0.632 535 G HN 0.529 nan 8.290 nan 0.000 0.533 536 S N 0.653 116.360 115.700 0.012 0.000 2.474 536 S HA 0.524 4.994 4.470 0.000 0.000 0.224 536 S C 0.377 174.868 174.600 -0.182 0.000 1.209 536 S CA -0.570 57.632 58.200 0.003 0.000 1.212 536 S CB 0.376 63.596 63.200 0.033 0.000 1.137 536 S HN 0.459 nan 8.310 nan 0.000 0.446 537 L N 2.526 123.630 121.223 -0.197 0.000 2.453 537 L HA 0.384 4.724 4.340 0.000 0.000 0.261 537 L C -2.047 174.521 176.870 -0.502 0.000 1.179 537 L CA -2.344 52.252 54.840 -0.406 0.000 0.813 537 L CB 0.083 41.972 42.059 -0.282 0.000 1.110 537 L HN 0.074 nan 8.230 nan 0.000 0.466 538 P HA -0.014 nan 4.420 nan 0.000 0.263 538 P C -1.407 175.652 177.300 -0.401 0.000 1.195 538 P CA 0.198 62.907 63.100 -0.652 0.000 0.762 538 P CB 0.416 31.644 31.700 -0.786 0.000 0.799 539 Q N 1.863 121.466 119.800 -0.328 0.000 2.472 539 Q HA 0.486 4.826 4.340 0.000 0.000 0.281 539 Q C -1.504 174.338 176.000 -0.263 0.000 0.997 539 Q CA -0.890 54.800 55.803 -0.189 0.000 0.828 539 Q CB 0.749 29.449 28.738 -0.063 0.000 1.443 539 Q HN 0.086 nan 8.270 nan 0.000 0.390 540 F N 1.545 121.437 119.950 -0.097 0.000 2.399 540 F HA 0.348 4.874 4.527 -0.003 0.000 0.342 540 F C 0.521 176.286 175.800 -0.057 0.000 1.106 540 F CA -0.309 57.635 58.000 -0.093 0.000 1.196 540 F CB 1.090 40.027 39.000 -0.104 0.000 1.163 540 F HN 0.419 nan 8.300 nan 0.000 0.547 541 M N 1.409 121.066 119.600 0.093 0.000 2.283 541 M HA 0.220 4.700 4.480 0.000 0.000 0.314 541 M C 0.004 176.345 176.300 0.069 0.000 1.153 541 M CA -0.935 54.387 55.300 0.037 0.000 1.084 541 M CB 0.671 33.249 32.600 -0.037 0.000 1.468 541 M HN 0.457 nan 8.290 nan 0.000 0.474 542 E N 1.905 122.119 120.200 0.024 0.000 2.481 542 E HA 0.075 4.426 4.350 0.000 0.000 0.263 542 E C -2.231 174.389 176.600 0.033 0.000 0.992 542 E CA -0.679 55.736 56.400 0.024 0.000 0.938 542 E CB -0.344 29.348 29.700 -0.013 0.000 0.933 542 E HN 0.228 nan 8.360 nan 0.000 0.453 543 P HA 0.038 nan 4.420 nan 0.000 0.262 543 P C 0.613 177.836 177.300 -0.128 0.000 1.199 543 P CA 1.021 64.144 63.100 0.040 0.000 0.763 543 P CB 0.645 32.355 31.700 0.017 0.000 0.790 544 G N 2.798 111.522 108.800 -0.127 0.000 2.217 544 G HA2 -0.327 3.633 3.960 0.000 0.000 0.246 544 G HA3 -0.327 3.633 3.960 0.000 0.000 0.246 544 G C 0.747 175.590 174.900 -0.095 0.000 0.990 544 G CA 0.192 45.178 45.100 -0.190 0.000 0.627 544 G HN 0.534 nan 8.290 nan 0.000 0.522 545 L N 1.070 122.256 121.223 -0.061 0.000 2.187 545 L HA 0.186 4.527 4.340 0.000 0.000 0.213 545 L C 2.727 179.572 176.870 -0.042 0.000 1.100 545 L CA 2.468 57.278 54.840 -0.050 0.000 0.765 545 L CB -0.258 41.767 42.059 -0.056 0.000 0.904 545 L HN 0.461 nan 8.230 nan 0.000 0.437 546 V N -0.251 119.636 119.914 -0.045 0.000 2.759 546 V HA -0.136 3.985 4.120 0.000 0.000 0.256 546 V C 1.572 177.578 176.094 -0.147 0.000 1.080 546 V CA 1.048 63.296 62.300 -0.087 0.000 1.101 546 V CB -0.304 31.494 31.823 -0.041 0.000 0.698 546 V HN 0.484 nan 8.190 nan 0.000 0.477 547 L N 0.281 121.491 121.223 -0.021 0.000 3.597 547 L HA -0.250 4.090 4.340 0.000 0.000 0.440 547 L C 0.251 177.274 176.870 0.254 0.000 1.277 547 L CA 0.842 55.736 54.840 0.090 0.000 0.852 547 L CB -2.333 39.806 42.059 0.133 0.000 1.708 547 L HN 0.573 nan 8.230 nan 0.000 0.885 548 H N -0.788 118.386 119.070 0.174 0.000 2.505 548 H HA 0.283 4.840 4.556 0.002 0.000 0.260 548 H C 0.441 175.907 175.328 0.229 0.000 1.168 548 H CA -1.058 55.137 56.048 0.244 0.000 0.945 548 H CB 0.749 30.697 29.762 0.309 0.000 1.800 548 H HN 0.206 nan 8.280 nan 0.000 0.586 549 L N 1.759 123.130 121.223 0.246 0.000 2.490 549 L HA 0.268 4.609 4.340 0.000 0.000 0.274 549 L C 0.575 177.583 176.870 0.230 0.000 1.201 549 L CA 0.731 55.667 54.840 0.160 0.000 0.869 549 L CB 0.445 42.559 42.059 0.090 0.000 1.123 549 L HN 0.290 nan 8.230 nan 0.000 0.484 550 G N 1.692 110.633 108.800 0.234 0.000 2.733 550 G HA2 0.533 4.493 3.960 0.000 0.000 0.288 550 G HA3 0.533 4.493 3.960 0.000 0.000 0.288 550 G C 0.246 175.252 174.900 0.176 0.000 1.373 550 G CA -0.287 44.975 45.100 0.270 0.000 0.895 550 G HN 1.323 nan 8.290 nan 0.000 0.479 551 G N -1.129 107.741 108.800 0.116 0.000 2.162 551 G HA2 -0.232 3.728 3.960 0.000 0.000 0.260 551 G HA3 -0.232 3.728 3.960 0.000 0.000 0.260 551 G C 1.332 176.292 174.900 0.099 0.000 0.976 551 G CA 1.585 46.759 45.100 0.123 0.000 0.655 551 G HN 1.909 nan 8.290 nan 0.000 0.533 552 T N -2.064 112.497 114.554 0.011 0.000 2.995 552 T HA 0.144 4.494 4.350 0.000 0.000 0.269 552 T C 1.045 175.818 174.700 0.122 0.000 1.091 552 T CA 1.833 63.977 62.100 0.073 0.000 1.128 552 T CB -0.256 68.661 68.868 0.081 0.000 0.891 552 T HN 1.545 nan 8.240 nan 0.000 0.492 553 H N -0.191 118.947 119.070 0.115 0.000 2.695 553 H HA 0.457 5.013 4.556 0.000 0.000 0.222 553 H C -0.152 175.213 175.328 0.061 0.000 1.412 553 H CA -1.367 54.723 56.048 0.070 0.000 1.347 553 H CB -0.350 29.419 29.762 0.011 0.000 1.858 553 H HN 0.357 nan 8.280 nan 0.000 0.519 554 R N 0.931 121.509 120.500 0.130 0.000 2.641 554 R HA 0.320 4.660 4.340 0.000 0.000 0.269 554 R C -0.393 175.962 176.300 0.091 0.000 1.074 554 R CA -0.743 55.408 56.100 0.085 0.000 1.133 554 R CB 1.012 31.355 30.300 0.070 0.000 1.029 554 R HN 0.491 nan 8.270 nan 0.000 0.488 555 M N 1.631 121.263 119.600 0.053 0.000 2.274 555 M HA 0.422 4.902 4.480 0.000 0.000 0.344 555 M C -0.494 175.801 176.300 -0.007 0.000 1.161 555 M CA 0.291 55.597 55.300 0.011 0.000 1.126 555 M CB 1.469 34.051 32.600 -0.030 0.000 1.522 555 M HN 0.949 nan 8.290 nan 0.000 0.461 556 G N 2.233 111.039 108.800 0.010 0.000 2.600 556 G HA2 0.435 4.395 3.960 0.000 0.000 0.293 556 G HA3 0.435 4.395 3.960 0.000 0.000 0.293 556 G C -0.931 173.975 174.900 0.010 0.000 1.408 556 G CA -0.670 44.405 45.100 -0.042 0.000 0.782 556 G HN 0.677 nan 8.290 nan 0.000 0.482 557 F N -0.165 119.887 119.950 0.170 0.000 2.270 557 F HA 0.269 4.796 4.527 0.001 0.000 0.295 557 F C 1.056 176.981 175.800 0.209 0.000 1.087 557 F CA 0.941 59.045 58.000 0.174 0.000 1.365 557 F CB 0.431 39.489 39.000 0.097 0.000 1.056 557 F HN 0.354 nan 8.300 nan 0.000 0.506 558 D N -0.868 119.678 120.400 0.243 0.000 2.593 558 D HA 0.124 4.765 4.640 0.000 0.000 0.251 558 D C 0.738 176.879 176.300 -0.264 0.000 1.140 558 D CA -0.199 53.780 54.000 -0.035 0.000 0.855 558 D CB 1.264 42.068 40.800 0.006 0.000 1.267 558 D HN 0.106 nan 8.370 nan 0.000 0.532 559 E N 3.295 123.010 120.200 -0.808 0.000 2.097 559 E HA -0.278 4.072 4.350 0.000 0.000 0.196 559 E C 1.310 177.746 176.600 -0.272 0.000 1.000 559 E CA 1.256 57.200 56.400 -0.760 0.000 0.804 559 E CB 0.288 29.401 29.700 -0.978 0.000 0.740 559 E HN 0.428 nan 8.360 nan 0.000 0.454 560 K N 0.294 120.569 120.400 -0.209 0.000 2.021 560 K HA -0.151 4.169 4.320 0.000 0.000 0.205 560 K C 2.244 178.813 176.600 -0.052 0.000 1.047 560 K CA 1.309 57.541 56.287 -0.093 0.000 0.943 560 K CB -0.080 32.378 32.500 -0.069 0.000 0.725 560 K HN 0.064 nan 8.250 nan 0.000 0.439 561 E N 0.173 120.347 120.200 -0.043 0.000 2.110 561 E HA -0.169 4.181 4.350 0.000 0.000 0.193 561 E C 0.490 177.089 176.600 -0.002 0.000 0.988 561 E CA 1.346 57.742 56.400 -0.006 0.000 0.804 561 E CB 0.212 29.921 29.700 0.015 0.000 0.745 561 E HN 0.310 nan 8.360 nan 0.000 0.458 562 D N 0.094 120.487 120.400 -0.012 0.000 2.368 562 D HA 0.041 4.681 4.640 0.000 0.000 0.218 562 D C -0.638 175.598 176.300 -0.105 0.000 1.112 562 D CA 0.014 54.002 54.000 -0.020 0.000 0.834 562 D CB -0.050 40.776 40.800 0.042 0.000 0.953 562 D HN 0.200 nan 8.370 nan 0.000 0.505 563 N N 0.618 119.252 118.700 -0.109 0.000 2.667 563 N HA -0.191 4.549 4.740 0.000 0.000 0.263 563 N C -0.201 175.215 175.510 -0.156 0.000 1.038 563 N CA 0.503 53.455 53.050 -0.165 0.000 0.749 563 N CB -1.455 36.789 38.487 -0.404 0.000 0.892 563 N HN 0.410 nan 8.380 nan 0.000 0.546 564 C N -3.466 115.828 119.300 -0.010 0.000 3.318 564 C HA 0.782 5.242 4.460 0.000 0.000 0.329 564 C C 1.342 176.482 174.990 0.250 0.000 1.449 564 C CA -0.623 58.456 59.018 0.102 0.000 1.397 564 C CB 1.567 29.391 27.740 0.140 0.000 1.810 564 C HN 0.479 nan 8.230 nan 0.000 0.449 565 C N 0.181 119.659 119.300 0.297 0.000 2.937 565 C HA 0.483 4.944 4.460 0.000 0.000 0.426 565 C C 0.654 175.751 174.990 0.178 0.000 1.321 565 C CA 0.615 59.806 59.018 0.289 0.000 2.082 565 C CB -0.267 27.571 27.740 0.165 0.000 2.834 565 C HN 0.955 nan 8.230 nan 0.000 0.593 566 V N 1.532 121.440 119.914 -0.009 0.000 2.864 566 V HA 0.700 4.820 4.120 0.000 0.000 0.314 566 V C -0.666 175.109 176.094 -0.532 0.000 1.073 566 V CA -0.625 61.447 62.300 -0.379 0.000 0.956 566 V CB 1.478 33.190 31.823 -0.186 0.000 1.023 566 V HN 0.430 nan 8.190 nan 0.000 0.435 567 N N 1.137 119.339 118.700 -0.829 0.000 2.431 567 N HA 0.239 4.979 4.740 0.000 0.000 0.289 567 N C 1.040 176.401 175.510 -0.248 0.000 1.277 567 N CA 0.225 53.005 53.050 -0.450 0.000 0.972 567 N CB -0.129 38.111 38.487 -0.411 0.000 1.143 567 N HN 0.923 nan 8.380 nan 0.000 0.578 568 T N -4.782 109.671 114.554 -0.167 0.000 3.160 568 T HA 0.043 4.393 4.350 0.000 0.000 0.257 568 T C -0.027 174.589 174.700 -0.140 0.000 1.147 568 T CA 0.477 62.477 62.100 -0.166 0.000 1.064 568 T CB -0.411 68.370 68.868 -0.145 0.000 0.949 568 T HN 0.437 nan 8.240 nan 0.000 0.526 569 D N 1.146 121.456 120.400 -0.150 0.000 2.342 569 D HA 0.199 4.840 4.640 0.000 0.000 0.221 569 D C 0.447 176.741 176.300 -0.010 0.000 1.101 569 D CA -0.002 53.931 54.000 -0.112 0.000 0.837 569 D CB 0.143 40.780 40.800 -0.272 0.000 0.938 569 D HN 0.310 nan 8.370 nan 0.000 0.508 570 S N 0.504 116.168 115.700 -0.060 0.000 3.473 570 S HA -0.273 4.197 4.470 0.000 0.000 0.339 570 S C 0.552 175.130 174.600 -0.036 0.000 1.148 570 S CA 0.547 58.743 58.200 -0.005 0.000 0.969 570 S CB -1.329 61.944 63.200 0.123 0.000 0.936 570 S HN 0.491 nan 8.310 nan 0.000 0.530 571 R N 0.941 121.284 120.500 -0.261 0.000 2.312 571 R HA 0.495 4.835 4.340 0.000 0.000 0.311 571 R C -0.141 175.843 176.300 -0.527 0.000 1.004 571 R CA -0.523 55.235 56.100 -0.570 0.000 0.902 571 R CB 0.781 30.680 30.300 -0.668 0.000 1.073 571 R HN 0.123 nan 8.270 nan 0.000 0.457 572 V N 6.149 125.797 119.914 -0.443 0.000 2.529 572 V HA 0.016 4.136 4.120 0.000 0.000 0.292 572 V C 0.185 176.233 176.094 -0.076 0.000 1.028 572 V CA 0.245 62.383 62.300 -0.271 0.000 1.074 572 V CB -0.189 31.465 31.823 -0.281 0.000 0.958 572 V HN 0.574 nan 8.190 nan 0.000 0.481 573 F N 3.804 123.795 119.950 0.069 0.000 2.629 573 F HA 0.395 4.922 4.527 0.000 0.000 0.377 573 F C 1.587 177.505 175.800 0.196 0.000 1.101 573 F CA 1.583 59.642 58.000 0.099 0.000 1.301 573 F CB 0.072 39.124 39.000 0.086 0.000 1.062 573 F HN 0.781 nan 8.300 nan 0.000 0.583 574 G N 2.012 110.991 108.800 0.298 0.000 2.268 574 G HA2 -0.299 3.661 3.960 0.000 0.000 0.240 574 G HA3 -0.299 3.661 3.960 0.000 0.000 0.240 574 G C -0.108 174.742 174.900 -0.082 0.000 1.010 574 G CA -0.416 44.744 45.100 0.100 0.000 0.618 574 G HN 0.444 nan 8.290 nan 0.000 0.516 575 F N 0.709 120.683 119.950 0.040 0.000 2.458 575 F HA 0.608 5.136 4.527 0.001 0.000 0.336 575 F C 1.247 177.036 175.800 -0.019 0.000 1.114 575 F CA -0.351 57.659 58.000 0.016 0.000 0.987 575 F CB 1.921 40.928 39.000 0.011 0.000 1.130 575 F HN -0.017 nan 8.300 nan 0.000 0.458 576 K N 1.713 122.226 120.400 0.189 0.000 2.155 576 K HA -0.097 4.223 4.320 0.000 0.000 0.203 576 K C 0.700 177.491 176.600 0.319 0.000 1.052 576 K CA 1.512 57.935 56.287 0.227 0.000 0.948 576 K CB 0.113 32.758 32.500 0.243 0.000 0.728 576 K HN 0.735 nan 8.250 nan 0.000 0.448 577 N N 0.389 119.248 118.700 0.264 0.000 2.305 577 N HA 0.048 4.788 4.740 0.000 0.000 0.248 577 N C -1.060 174.552 175.510 0.169 0.000 1.290 577 N CA -0.417 52.817 53.050 0.306 0.000 0.873 577 N CB 0.246 38.958 38.487 0.374 0.000 1.261 577 N HN 0.032 nan 8.380 nan 0.000 0.504 578 L N 0.720 121.836 121.223 -0.179 0.000 2.349 578 L HA 0.695 5.035 4.340 0.000 0.000 0.278 578 L C -1.790 174.722 176.870 -0.596 0.000 0.996 578 L CA -0.598 54.114 54.840 -0.213 0.000 0.825 578 L CB 0.921 42.826 42.059 -0.257 0.000 1.243 578 L HN -0.031 nan 8.230 nan 0.000 0.412 579 F N 4.944 124.815 119.950 -0.132 0.000 2.551 579 F HA 0.665 5.192 4.527 0.000 0.000 0.316 579 F C -0.593 175.057 175.800 -0.249 0.000 1.089 579 F CA -0.704 57.200 58.000 -0.160 0.000 0.915 579 F CB 1.814 40.757 39.000 -0.095 0.000 1.186 579 F HN 0.177 nan 8.300 nan 0.000 0.456 580 L N 1.940 123.122 121.223 -0.068 0.000 2.346 580 L HA 0.880 5.220 4.340 0.000 0.000 0.276 580 L C 0.062 176.923 176.870 -0.014 0.000 1.006 580 L CA -0.841 53.880 54.840 -0.199 0.000 0.817 580 L CB 1.931 43.715 42.059 -0.458 0.000 1.272 580 L HN 0.787 nan 8.230 nan 0.000 0.421 581 G N 0.314 109.114 108.800 -0.000 0.000 2.482 581 G HA2 0.799 4.760 3.960 0.000 0.000 0.317 581 G HA3 0.799 4.760 3.960 0.000 0.000 0.317 581 G C -0.476 174.533 174.900 0.181 0.000 1.241 581 G CA -0.303 44.905 45.100 0.180 0.000 0.967 581 G HN 0.968 nan 8.290 nan 0.000 0.482 582 G N -1.280 107.629 108.800 0.182 0.000 2.354 582 G HA2 0.075 4.035 3.960 0.000 0.000 0.582 582 G HA3 0.075 4.035 3.960 0.000 0.000 0.582 582 G C 0.739 175.696 174.900 0.096 0.000 1.316 582 G CA 0.036 45.222 45.100 0.144 0.000 0.995 582 G HN 1.162 nan 8.290 nan 0.000 0.573 583 C N 0.529 119.863 119.300 0.056 0.000 2.419 583 C HA 0.208 4.669 4.460 0.000 0.000 0.283 583 C C 3.060 178.034 174.990 -0.028 0.000 1.373 583 C CA 1.752 60.781 59.018 0.019 0.000 1.781 583 C CB -1.320 26.464 27.740 0.074 0.000 1.886 583 C HN 1.309 nan 8.230 nan 0.000 0.520 584 G N 1.356 110.058 108.800 -0.164 0.000 2.479 584 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 584 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 584 G C 1.405 175.962 174.900 -0.573 0.000 1.115 584 G CA 0.820 45.575 45.100 -0.575 0.000 0.757 584 G HN 0.558 nan 8.290 nan 0.000 0.560 585 N N 0.388 118.959 118.700 -0.214 0.000 2.309 585 N HA 0.001 4.741 4.740 0.000 0.000 0.182 585 N C 0.932 176.455 175.510 0.022 0.000 1.018 585 N CA 0.218 53.283 53.050 0.025 0.000 0.876 585 N CB -0.024 38.527 38.487 0.106 0.000 0.972 585 N HN 0.319 nan 8.380 nan 0.000 0.434 586 I N 3.069 123.650 120.570 0.019 0.000 2.505 586 I HA 0.031 4.201 4.170 0.000 0.000 0.287 586 I C -1.307 174.902 176.117 0.153 0.000 1.104 586 I CA -0.978 60.360 61.300 0.064 0.000 1.387 586 I CB 1.170 39.142 38.000 -0.047 0.000 1.404 586 I HN -0.056 nan 8.210 nan 0.000 0.528 587 P HA 0.049 nan 4.420 nan 0.000 0.257 587 P C 0.335 177.731 177.300 0.161 0.000 1.241 587 P CA 0.243 63.419 63.100 0.126 0.000 0.816 587 P CB 0.198 31.931 31.700 0.055 0.000 1.150 588 T N -2.040 112.642 114.554 0.213 0.000 2.862 588 T HA 0.665 5.015 4.350 0.000 0.000 0.276 588 T C 0.242 175.090 174.700 0.247 0.000 0.974 588 T CA -0.838 61.379 62.100 0.196 0.000 0.966 588 T CB 1.014 69.976 68.868 0.157 0.000 1.072 588 T HN 0.065 nan 8.240 nan 0.000 0.538 589 A N 1.744 124.643 122.820 0.131 0.000 2.302 589 A HA 0.611 4.931 4.320 0.000 0.000 0.295 589 A C -0.680 176.886 177.584 -0.030 0.000 1.235 589 A CA -0.846 51.216 52.037 0.041 0.000 0.876 589 A CB -0.872 18.169 19.000 0.068 0.000 1.133 589 A HN 0.861 nan 8.150 nan 0.000 0.533 590 Y N -0.485 119.729 120.300 -0.143 0.000 2.512 590 Y HA 0.723 5.273 4.550 0.000 0.000 0.348 590 Y C 0.703 176.465 175.900 -0.230 0.000 0.990 590 Y CA -0.749 57.071 58.100 -0.468 0.000 1.033 590 Y CB 1.405 39.368 38.460 -0.828 0.000 1.259 590 Y HN 0.387 nan 8.280 nan 0.000 0.461 591 G N 0.336 109.038 108.800 -0.163 0.000 2.743 591 G HA2 0.417 4.377 3.960 0.000 0.000 0.206 591 G HA3 0.417 4.377 3.960 0.000 0.000 0.206 591 G C 0.411 175.386 174.900 0.125 0.000 1.115 591 G CA 0.183 45.384 45.100 0.169 0.000 0.782 591 G HN 0.952 nan 8.290 nan 0.000 0.524 592 A N 0.770 123.474 122.820 -0.195 0.000 2.346 592 A HA 0.489 4.809 4.320 0.000 0.000 0.252 592 A C -0.078 177.400 177.584 -0.177 0.000 1.089 592 A CA -0.460 51.357 52.037 -0.367 0.000 0.797 592 A CB 0.069 18.852 19.000 -0.361 0.000 1.047 592 A HN 0.349 nan 8.150 nan 0.000 0.494 593 N N 1.708 120.176 118.700 -0.387 0.000 2.497 593 N HA 0.269 5.009 4.740 0.000 0.000 0.268 593 N C -2.037 173.382 175.510 -0.152 0.000 1.171 593 N CA -1.090 51.704 53.050 -0.427 0.000 0.948 593 N CB 0.501 38.815 38.487 -0.288 0.000 1.069 593 N HN 0.398 nan 8.380 nan 0.000 0.460 594 P HA -0.037 nan 4.420 nan 0.000 0.235 594 P C 0.546 177.758 177.300 -0.146 0.000 1.177 594 P CA 0.782 63.802 63.100 -0.134 0.000 0.785 594 P CB 0.250 31.856 31.700 -0.156 0.000 0.885 595 T N 1.182 115.719 114.554 -0.029 0.000 2.720 595 T HA -0.166 4.184 4.350 0.000 0.000 0.268 595 T C 1.797 176.579 174.700 0.137 0.000 1.037 595 T CA 1.139 63.276 62.100 0.061 0.000 1.144 595 T CB -0.891 68.038 68.868 0.101 0.000 0.864 595 T HN 0.022 nan 8.240 nan 0.000 0.444 596 L N 0.999 122.314 121.223 0.153 0.000 2.083 596 L HA -0.090 4.250 4.340 0.000 0.000 0.209 596 L C 2.509 179.459 176.870 0.132 0.000 1.083 596 L CA 1.758 56.741 54.840 0.239 0.000 0.752 596 L CB -1.055 41.120 42.059 0.194 0.000 0.899 596 L HN 0.199 nan 8.230 nan 0.000 0.433 597 T N -0.409 114.095 114.554 -0.084 0.000 2.737 597 T HA -0.128 4.222 4.350 0.000 0.000 0.265 597 T C 1.931 176.548 174.700 -0.138 0.000 1.038 597 T CA 1.228 63.188 62.100 -0.232 0.000 1.144 597 T CB -0.528 67.778 68.868 -0.935 0.000 0.866 597 T HN 0.511 nan 8.240 nan 0.000 0.434 598 A N 1.642 124.386 122.820 -0.126 0.000 1.917 598 A HA -0.145 4.175 4.320 0.000 0.000 0.219 598 A C 2.321 179.877 177.584 -0.046 0.000 1.182 598 A CA 2.047 54.050 52.037 -0.057 0.000 0.633 598 A CB -0.772 18.215 19.000 -0.022 0.000 0.819 598 A HN 0.538 nan 8.150 nan 0.000 0.448 599 M N -0.386 119.198 119.600 -0.027 0.000 2.132 599 M HA -0.130 4.351 4.480 0.000 0.000 0.263 599 M C 2.140 178.354 176.300 -0.144 0.000 1.065 599 M CA 2.039 57.294 55.300 -0.074 0.000 1.122 599 M CB -0.156 32.410 32.600 -0.056 0.000 1.365 599 M HN 0.383 nan 8.290 nan 0.000 0.411 600 S N 1.297 116.910 115.700 -0.145 0.000 2.359 600 S HA -0.155 4.315 4.470 0.000 0.000 0.224 600 S C 1.758 176.160 174.600 -0.329 0.000 1.035 600 S CA 1.543 59.583 58.200 -0.267 0.000 1.018 600 S CB -0.612 62.370 63.200 -0.364 0.000 0.876 600 S HN 0.519 nan 8.310 nan 0.000 0.448 601 L N 1.133 122.199 121.223 -0.261 0.000 2.046 601 L HA -0.154 4.186 4.340 0.000 0.000 0.208 601 L C 2.817 179.552 176.870 -0.226 0.000 1.077 601 L CA 1.228 55.919 54.840 -0.248 0.000 0.747 601 L CB -0.766 41.217 42.059 -0.127 0.000 0.896 601 L HN 0.333 nan 8.230 nan 0.000 0.432 602 A N 0.307 122.995 122.820 -0.219 0.000 1.933 602 A HA -0.181 4.139 4.320 0.000 0.000 0.218 602 A C 2.222 179.490 177.584 -0.527 0.000 1.175 602 A CA 1.522 53.323 52.037 -0.393 0.000 0.628 602 A CB -0.669 18.106 19.000 -0.375 0.000 0.814 602 A HN 0.370 nan 8.150 nan 0.000 0.444 603 I N -0.624 119.726 120.570 -0.367 0.000 2.226 603 I HA -0.270 3.900 4.170 0.000 0.000 0.245 603 I C 2.548 178.496 176.117 -0.282 0.000 1.100 603 I CA 1.865 62.979 61.300 -0.310 0.000 1.374 603 I CB -0.223 37.610 38.000 -0.278 0.000 1.057 603 I HN 0.378 nan 8.210 nan 0.000 0.413 604 K N 0.459 120.691 120.400 -0.280 0.000 2.057 604 K HA -0.197 4.124 4.320 0.000 0.000 0.206 604 K C 2.373 178.881 176.600 -0.153 0.000 1.050 604 K CA 1.648 57.801 56.287 -0.222 0.000 0.935 604 K CB -0.087 32.249 32.500 -0.272 0.000 0.715 604 K HN 0.118 nan 8.250 nan 0.000 0.439 605 S N 0.173 115.763 115.700 -0.183 0.000 2.359 605 S HA -0.188 4.282 4.470 0.000 0.000 0.224 605 S C 2.098 176.592 174.600 -0.176 0.000 1.035 605 S CA 1.560 59.695 58.200 -0.109 0.000 1.018 605 S CB -0.527 62.645 63.200 -0.047 0.000 0.876 605 S HN 0.567 nan 8.310 nan 0.000 0.448 606 C N 1.409 120.505 119.300 -0.340 0.000 2.413 606 C HA -0.036 4.424 4.460 0.000 0.000 0.277 606 C C 2.537 177.432 174.990 -0.159 0.000 1.265 606 C CA 0.952 59.787 59.018 -0.306 0.000 1.752 606 C CB -1.536 25.981 27.740 -0.373 0.000 1.998 606 C HN 0.690 nan 8.230 nan 0.000 0.489 607 E N -0.705 119.428 120.200 -0.111 0.000 2.058 607 E HA -0.265 4.085 4.350 0.000 0.000 0.194 607 E C 1.862 178.465 176.600 0.005 0.000 0.997 607 E CA 1.607 57.977 56.400 -0.051 0.000 0.801 607 E CB -0.359 29.309 29.700 -0.054 0.000 0.746 607 E HN 0.817 nan 8.360 nan 0.000 0.450 608 Y N 1.250 121.514 120.300 -0.059 0.000 2.128 608 Y HA -0.267 4.283 4.550 0.000 0.000 0.284 608 Y C 1.967 177.897 175.900 0.050 0.000 1.154 608 Y CA 1.660 59.769 58.100 0.016 0.000 1.149 608 Y CB -0.111 38.398 38.460 0.081 0.000 0.976 608 Y HN -0.034 nan 8.280 nan 0.000 0.505 609 I N 0.204 120.814 120.570 0.067 0.000 2.179 609 I HA -0.333 3.837 4.170 0.000 0.000 0.242 609 I C 2.357 178.501 176.117 0.045 0.000 1.088 609 I CA 1.657 62.977 61.300 0.033 0.000 1.357 609 I CB -0.457 37.345 38.000 -0.331 0.000 1.051 609 I HN 0.128 nan 8.210 nan 0.000 0.409 610 K N 0.442 120.825 120.400 -0.029 0.000 2.160 610 K HA -0.251 4.070 4.320 0.000 0.000 0.206 610 K C 2.004 178.648 176.600 0.074 0.000 1.047 610 K CA 1.516 57.863 56.287 0.099 0.000 0.930 610 K CB -0.184 32.354 32.500 0.064 0.000 0.720 610 K HN 0.464 nan 8.250 nan 0.000 0.450 611 Q N -0.450 119.319 119.800 -0.053 0.000 2.424 611 Q HA 0.060 4.400 4.340 0.000 0.000 0.204 611 Q C 0.872 176.751 176.000 -0.201 0.000 0.933 611 Q CA 0.450 56.183 55.803 -0.117 0.000 0.929 611 Q CB 0.464 29.112 28.738 -0.151 0.000 1.037 611 Q HN 0.274 nan 8.270 nan 0.000 0.511 612 N N -1.037 117.512 118.700 -0.252 0.000 2.143 612 N HA 0.157 4.897 4.740 0.000 0.000 0.222 612 N C -1.007 174.095 175.510 -0.682 0.000 1.264 612 N CA 0.233 52.987 53.050 -0.492 0.000 0.897 612 N CB 1.082 39.101 38.487 -0.779 0.000 1.092 612 N HN -0.004 nan 8.380 nan 0.000 0.516 613 F N 0.339 120.317 119.950 0.047 0.000 2.578 613 F HA 0.360 4.887 4.527 0.001 0.000 0.311 613 F C 0.152 176.091 175.800 0.231 0.000 1.094 613 F CA -0.603 57.486 58.000 0.150 0.000 0.923 613 F CB 1.986 41.090 39.000 0.172 0.000 1.230 613 F HN -0.392 nan 8.300 nan 0.000 0.450 614 T N 3.995 118.728 114.554 0.299 0.000 2.771 614 T HA 0.446 4.796 4.350 0.000 0.000 0.281 614 T C -2.552 172.139 174.700 -0.015 0.000 0.982 614 T CA -1.409 60.742 62.100 0.086 0.000 0.978 614 T CB 1.282 70.169 68.868 0.032 0.000 0.930 614 T HN 0.133 nan 8.240 nan 0.000 0.447 615 P HA 0.182 nan 4.420 nan 0.000 0.272 615 P C -0.193 177.004 177.300 -0.171 0.000 1.223 615 P CA -0.546 62.260 63.100 -0.489 0.000 0.784 615 P CB 0.315 31.536 31.700 -0.799 0.000 0.923 616 S N 2.112 117.754 115.700 -0.096 0.000 2.576 616 S HA 0.315 4.785 4.470 0.000 0.000 0.276 616 S C -2.062 172.510 174.600 -0.047 0.000 1.339 616 S CA -1.042 57.128 58.200 -0.050 0.000 1.039 616 S CB -0.793 62.381 63.200 -0.043 0.000 0.902 616 S HN 0.335 nan 8.310 nan 0.000 0.516 617 P HA 0.157 nan 4.420 nan 0.000 0.265 617 P C -0.557 176.798 177.300 0.093 0.000 1.193 617 P CA -0.254 62.867 63.100 0.035 0.000 0.765 617 P CB 0.190 31.910 31.700 0.032 0.000 0.823 618 F N 0.000 119.930 119.950 -0.033 0.000 2.286 618 F HA 0.000 4.527 4.527 0.000 0.000 0.279 618 F CA 0.000 57.987 58.000 -0.022 0.000 1.383 618 F CB 0.000 38.988 39.000 -0.020 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574