NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3132 8.0433 120.6203 54.5256 42.9468 177.2745 4 D 4.5285 8.5578 119.5922 55.5023 41.0779 176.2112 5 R 4.3070 8.7039 120.4825 58.6775 32.1220 176.4832 6 L 5.0353 7.6385 118.2864 54.0592 42.8421 177.2753 7 T 4.0043 8.8012 112.0615 61.5820 69.9746 175.3011 8 N 4.5955 8.6839 121.0209 55.9630 38.5447 177.6816 9 K 3.9530 8.0426 119.2647 59.5033 32.1903 178.9843 10 F 4.4338 8.2186 120.5897 61.5108 39.1894 177.2216 11 Q 3.9601 8.4130 117.8358 58.9426 28.5044 178.7458 12 L 3.9859 8.4401 120.2452 57.7979 41.6548 179.4947 13 A 4.0577 8.1969 120.7850 54.8993 18.2727 179.4705 14 L 3.9132 8.0249 118.8969 58.1583 42.1407 179.0915 15 A 3.9842 8.1779 120.9329 55.0985 18.2501 179.1469 16 D 4.2620 8.1836 116.4634 57.3137 41.2946 178.2003 17 A 4.0005 8.4291 121.7524 55.2373 18.2539 179.3835 18 Q 3.8812 8.0953 118.0189 59.5030 29.0817 178.7294 19 S 4.1194 7.8812 115.7413 61.4169 62.9157 176.7164 20 L 4.0158 8.1281 121.7601 57.5935 41.2940 179.3378 21 A 3.9057 8.0416 120.7008 55.0865 18.2982 179.6321 22 L 3.9921 8.2296 117.9385 58.0319 41.5530 180.1439 23 G 3.6421 8.3474 104.2729 47.2116 0.0000 174.2911 24 H 4.6966 7.7535 115.3886 54.5048 29.6617 174.3291 25 D 4.4179 8.1035 120.4318 55.3638 38.7895 173.2369 26 N 5.2001 8.1586 115.3215 52.2024 39.9948 175.8986 27 Q 3.8270 8.5776 122.3335 58.3151 29.3963 175.6494 28 F 5.2467 7.7335 113.4725 55.6114 43.7118 174.6766 29 I 4.2593 8.7599 121.2398 60.5144 38.1882 175.6008 30 E 4.9716 9.0937 126.9173 53.8078 31.4103 175.5578 31 P 4.5588 0.0000 0.0000 66.0678 31.5067 178.6810 32 L 4.0902 8.1413 118.0379 58.1305 42.0036 178.0456 33 H 4.3490 8.2921 115.8239 58.9163 28.8444 177.8278 34 L 4.0309 7.6513 119.3230 55.3778 41.6604 178.5927 *36 S 4.3202 8.3218 112.5532 57.7770 63.9725 175.4789 37 A 4.1476 7.9934 120.5213 55.1783 18.1595 179.3277 38 L 4.0691 8.1785 117.6960 57.9040 41.5039 179.6501 39 L 4.1156 7.9045 117.1799 56.7502 41.7729 177.6927 40 N 4.7718 7.6514 114.6696 52.4160 39.4784 174.0762 41 Q 4.1998 7.3203 122.3635 55.5723 29.6198 174.4288 42 E 4.1923 8.6248 127.1791 57.3889 30.1621 176.8502 43 G 3.9604 8.9914 114.5708 45.1877 0.0000 173.8277 44 G 3.7684 7.6044 108.5790 45.5148 0.0000 174.5567 45 S 4.4808 8.3181 114.4184 58.9109 63.6931 176.7435 46 V 3.5427 7.5647 122.4803 66.1886 31.3888 177.6732 47 S 4.1325 8.0125 114.5787 61.1635 62.7692 174.7996 48 P 4.2780 0.0000 0.0000 65.6349 30.6988 177.9515 49 L 3.8952 8.0300 120.0559 58.0343 42.0421 178.9822 50 L 4.0625 7.9583 118.6656 58.2174 41.4946 179.6927 51 T 4.1369 8.5900 117.6048 66.0955 68.1769 176.8233 52 S 4.1149 8.4496 115.1568 60.6024 62.9643 175.3427 53 A 4.5228 7.3645 121.0192 51.5210 18.9917 177.6254 54 G 3.8548 8.1883 106.3514 45.5088 0.0000 173.5894 55 I 4.0602 7.6726 121.4051 59.8436 38.2118 174.8403 56 N 4.6218 8.6280 123.1522 53.1121 38.8706 175.1098 57 A 4.1223 8.5816 131.3893 55.0110 18.5946 179.1649 58 G 3.5245 8.0955 103.7808 48.1803 0.0000 175.9179 59 Q 4.0737 8.6103 120.7373 58.2222 28.5540 178.6223 60 L 3.9480 7.8518 121.6756 58.1430 42.1294 178.9977 61 R 3.9347 8.2295 118.3192 59.7106 30.0357 179.1193 62 T 3.8629 7.8505 115.1675 66.9365 68.5133 176.5432 63 D 4.4002 8.2514 120.6346 57.2554 40.6638 179.0269 64 I 3.7788 8.1304 120.8930 64.4301 37.1582 178.1861 65 N 4.3584 8.4078 117.4729 56.3180 38.0823 177.5669 66 Q 3.9889 8.0757 118.6424 58.8806 29.2369 178.2570 67 A 4.1316 8.0793 121.8480 55.0854 18.4886 179.6858 68 L 3.8847 8.1727 117.9075 57.9777 41.4797 179.3932 69 N 4.4250 8.1123 115.0074 55.5843 38.4938 176.8975 70 R 4.2030 7.5207 118.0235 56.7088 30.8408 177.0429 71 L 4.1511 6.9289 118.0832 53.8639 42.2392 175.3799 72 P 4.4008 0.0000 0.0000 63.0293 31.9252 175.6829 73 Q 4.4917 8.4484 120.2450 55.2469 30.6631 173.4181 74 V 3.9782 9.2783 120.2217 63.1508 33.8477 175.4896 *82 Q 4.3038 7.9159 117.5139 55.0411 30.4315 174.0336 83 P 4.8893 0.0000 0.0000 62.8741 32.3858 177.8936 84 S 4.1444 8.8695 119.0780 57.6557 64.4683 175.1885 85 Q 3.9395 8.3966 120.8279 59.1545 28.6707 177.7549 86 D 4.3474 8.0056 119.7213 57.4285 40.8049 178.5427 87 L 4.0362 7.8048 120.1261 58.0290 42.0401 179.0241 88 V 3.5695 7.7822 118.2980 65.9739 31.5629 177.8852 89 R 3.8559 8.4512 118.7131 59.5299 29.9623 178.6300 90 V 3.6269 8.0088 118.0165 66.1084 31.5698 178.0092 91 L 4.1870 8.4397 119.0727 57.8369 41.3818 179.2326 92 N 4.3812 8.3929 116.8260 56.1698 38.3781 177.2007 93 L 4.0010 7.8230 121.3767 58.1652 42.1135 178.6249 94 C 4.1663 8.1793 116.8170 62.9131 28.1292 175.5127 95 D 4.3668 8.2463 119.3787 57.5693 40.7723 178.6443 96 K 4.0360 8.0999 118.8316 59.4221 32.0946 179.4456 97 L 4.0039 8.4951 119.6176 57.4935 41.3928 179.4148 98 A 4.0370 8.3100 121.1238 55.0954 18.3520 179.6718 99 Q 3.9108 8.2013 116.5398 59.1186 28.6256 179.0370 100 K 3.9161 7.9409 118.0648 59.7884 32.2632 179.2824 101 R 4.1726 7.8256 115.8114 56.7052 30.0875 177.1299 102 G 3.8245 7.8820 106.5519 46.4093 0.0000 173.2677 103 D 4.5922 8.1778 119.8150 53.1621 41.7370 176.3757 104 N 4.1934 9.0058 122.9947 56.2224 39.1105 174.4091 105 F 5.0705 7.7656 113.1770 55.3205 43.2399 174.7656 106 I 4.3483 9.2226 122.2842 61.0614 37.3990 176.1688 107 S 4.9014 8.7009 122.1743 56.9818 65.2751 175.5737 108 S 2.8715 8.3971 116.2839 61.3833 63.1276 176.7434 109 E 3.9353 8.2166 119.4184 59.6473 29.0102 179.3473 110 L 4.0759 7.6603 117.6771 57.5908 41.6130 179.2631 111 F 4.2523 8.1277 120.9368 61.1302 39.2997 177.3540 112 V 3.4535 7.7361 117.6345 65.7835 31.1190 177.8560 113 L 3.8847 7.7496 118.2117 57.9843 42.3112 178.2406 114 A 4.0597 8.2657 120.8746 54.9684 18.3413 179.3565 115 A 3.6196 7.9374 119.6274 55.2657 18.1848 179.5214 116 L 3.8871 7.4280 117.1148 57.7623 42.0348 178.0637 117 E 4.5681 7.4732 115.4171 55.9564 29.6943 176.3351 118 S 4.5399 7.6042 113.4986 57.3529 63.5911 175.8190 119 R 3.4997 8.9408 120.4965 56.3295 29.0979 175.6748 120 G 3.9400 8.3898 103.6959 45.8685 0.0000 174.3072 121 T 3.9661 8.4422 114.1051 66.6701 68.1417 176.4996 122 L 3.9301 7.8721 121.2808 58.1890 42.2050 178.7646 123 A 3.9492 7.9044 120.2042 55.0910 18.2530 179.1515 124 D 4.2919 8.1616 117.4674 57.5692 40.9001 179.1072 125 I 3.6903 7.8391 120.1701 64.3422 37.1491 178.4456 126 L 3.9697 8.0300 119.8362 57.8062 41.4509 179.8261 127 K 4.2303 8.7089 119.8447 58.9783 31.8186 179.3527 128 A 4.0795 8.1355 119.5062 54.4924 18.3448 178.8436 129 A 4.2148 7.6510 118.0975 52.5579 18.8132 178.0404 130 G 3.9740 7.6445 103.9664 45.0536 0.0000 174.0695 131 A 4.3907 8.3343 124.5194 51.9189 19.3619 177.0716 132 T 4.7073 8.9458 112.1954 59.1492 73.4899 175.2514 133 T 3.8314 8.5730 118.5676 67.0082 68.4367 176.5365 134 A 3.9617 7.8720 121.9347 55.2952 18.6514 179.3800 135 N 4.3393 8.3304 115.3481 55.7649 37.3435 177.5321 136 I 3.7711 7.8131 122.4920 64.5115 37.3613 178.2413 137 T 3.8659 7.9299 116.5868 66.7344 68.3367 176.4903 138 Q 3.9655 8.3509 121.3125 58.9766 28.8463 177.9904 139 A 4.0310 7.7649 121.1991 55.0646 18.4507 179.4250 140 I 3.8187 7.6717 117.5683 64.6249 37.3479 178.3167 141 E 4.1309 8.0013 117.3524 58.3549 29.3369 177.6229 142 Q 4.3190 7.6278 122.2647 55.9893 29.1143 175.2594 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 L 8.04 4.31 0.00 1.74 1.73 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.56 4.53 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.70 4.31 0.00 1.77 2.03 0.00 3.28 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 6 L 7.64 5.04 0.00 1.46 1.60 0.39 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.80 4.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 8 N 8.68 4.60 0.00 2.76 2.88 0.00 0.00 7.62 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.04 3.95 0.00 1.80 1.99 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 10 F 8.22 4.43 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.41 3.96 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 12 L 8.44 3.99 0.00 1.86 1.72 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.20 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.02 3.91 0.00 1.74 1.79 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.18 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.18 4.26 0.00 2.74 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.43 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.10 3.88 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 19 S 7.88 4.12 0.00 4.07 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.13 4.02 0.00 1.94 1.84 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.04 3.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.23 3.99 0.00 1.82 1.71 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.35 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 7.75 4.70 0.00 3.34 3.50 0.00 5.81 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.10 4.42 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.16 5.20 0.00 2.82 2.82 0.00 0.00 6.78 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.58 3.83 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 28 F 7.73 5.25 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.76 4.26 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.93 0.00 0.00 30 E 9.09 4.97 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 31 P 0.00 4.56 0.00 2.37 2.56 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 32 L 8.14 4.09 0.00 1.61 1.74 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.29 4.35 0.00 3.36 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.65 4.03 0.00 1.66 1.59 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *36 S 8.32 4.32 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.99 4.15 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.18 4.07 0.00 1.70 1.69 0.61 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.90 4.12 0.00 1.78 1.75 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.65 4.77 0.00 2.89 2.93 0.00 0.00 7.11 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.32 4.20 0.00 2.24 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 42 E 8.62 4.19 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 43 G 8.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.60 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.32 4.48 0.00 4.03 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.56 3.54 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.88 0.00 0.00 47 S 8.01 4.13 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.28 0.00 2.25 2.30 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 49 L 8.03 3.90 0.00 1.90 1.91 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.96 4.06 0.00 1.92 1.70 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.59 4.14 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 52 S 8.45 4.11 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.36 4.52 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.19 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.67 4.06 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.16 0.95 0.00 0.00 56 N 8.63 4.62 0.00 2.75 2.74 0.00 0.00 7.10 8.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.58 4.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.10 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.61 4.07 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 60 L 7.85 3.95 0.00 1.89 1.85 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.23 3.93 0.00 2.07 1.99 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 62 T 7.85 3.86 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 63 D 8.25 4.40 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.13 3.78 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.03 0.94 0.00 0.00 65 N 8.41 4.36 0.00 2.88 2.89 0.00 0.00 7.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.08 3.99 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 67 A 8.08 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.17 3.88 0.00 1.82 1.55 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.11 4.43 0.00 2.87 2.89 0.00 0.00 7.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.52 4.20 0.00 1.95 1.98 0.00 3.17 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 71 L 6.93 4.15 0.00 1.76 1.65 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.40 0.00 2.08 2.01 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 73 Q 8.45 4.49 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.88 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 74 V 9.28 3.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.89 0.00 0.00 *82 Q 7.92 4.30 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 83 P 0.00 4.89 0.00 1.96 2.01 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 84 S 8.87 4.14 0.00 3.57 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.40 3.94 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 86 D 8.01 4.35 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.80 4.04 0.00 1.85 1.87 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.78 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 89 R 8.45 3.86 0.00 1.91 2.15 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 90 V 8.01 3.63 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.97 0.00 0.00 91 L 8.44 4.19 0.00 1.93 1.70 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.39 4.38 0.00 2.93 2.88 0.00 0.00 6.58 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.82 4.00 0.00 1.79 1.87 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.18 4.17 0.00 3.39 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.25 4.37 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.10 4.04 0.00 2.00 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.67 7.81 97 L 8.50 4.00 0.00 1.85 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.31 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.20 3.91 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.73 0.00 100 K 7.94 3.92 0.00 1.87 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.75 7.81 101 R 7.83 4.17 0.00 2.06 2.00 0.00 3.23 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 102 G 7.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.18 4.59 0.00 2.69 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.01 4.19 0.00 2.64 2.82 0.00 0.00 6.90 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.77 5.07 0.00 2.97 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.22 4.35 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 1.17 0.00 0.00 107 S 8.70 4.90 0.00 4.11 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.40 2.87 0.00 3.68 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.22 3.94 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 110 L 7.66 4.08 0.00 1.94 1.80 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.13 4.25 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.74 3.45 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.97 0.00 0.00 113 L 7.75 3.88 0.00 1.64 1.81 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.27 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.94 3.62 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.43 3.89 0.00 1.73 1.84 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.47 4.57 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.56 0.00 118 S 7.60 4.54 0.00 3.77 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.94 3.50 0.00 1.91 1.94 0.00 3.21 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 120 G 8.39 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.44 3.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 122 L 7.87 3.93 0.00 1.77 1.64 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.90 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.16 4.29 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.84 3.69 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.91 0.00 0.00 126 L 8.03 3.97 0.00 1.81 1.69 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.71 4.23 0.00 1.92 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.50 7.81 128 A 8.14 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.65 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.64 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.33 4.39 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.95 4.71 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 133 T 8.57 3.83 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 134 A 7.87 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.33 4.34 0.00 3.00 3.09 0.00 0.00 7.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.81 3.77 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.91 0.89 0.00 0.00 137 T 7.93 3.87 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 138 Q 8.35 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 139 A 7.76 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.67 3.82 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.91 0.00 0.00 141 E 8.00 4.13 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 142 Q 7.63 4.32 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 * Residues marked with a * may have inaccurate shift predictions.