NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3610 8.3344 115.2916 58.5131 63.4225 172.9564 6 D 4.5939 8.4698 124.7254 53.3350 41.2810 174.9615 7 K 4.1677 7.4800 116.0431 56.3637 33.6564 176.5680 8 L 3.9020 8.1748 122.1568 56.6101 42.5712 175.6563 9 Y 5.2016 7.2124 114.8220 56.2123 42.2850 174.4514 10 R 5.2292 8.7475 120.6739 54.7797 33.3275 174.6533 11 V 4.9793 8.4314 124.9951 60.1568 34.5969 174.2814 12 E 4.4878 8.3918 119.1672 56.0592 33.4433 173.8854 13 Y 4.9338 8.2523 117.7822 56.8063 39.0598 175.7864 14 A 3.6585 9.1046 126.6703 52.5219 18.7665 178.8467 15 K 4.1415 8.6015 122.4483 58.6531 32.5239 176.5438 16 S 4.5950 7.5182 111.0146 57.1741 66.0020 173.6061 17 G 4.4412 8.5217 106.6663 45.8272 0.0000 174.6735 18 R 4.2012 7.7352 120.1935 57.0969 30.9904 177.2103 19 A 4.3148 7.7773 120.4805 51.9300 19.5272 176.4562 20 S 5.0204 8.4961 116.5619 56.7220 65.2559 173.5876 21 C 4.3568 8.8523 124.6374 59.4431 32.0951 174.0917 22 K 4.1827 8.2244 124.7828 57.0764 31.7932 176.7845 23 K 4.4541 7.9850 118.5474 57.8813 33.4021 176.6106 24 C 4.4245 8.0550 111.6814 57.6837 30.5346 175.2062 25 S 4.3360 8.2986 114.4033 58.4518 63.0582 169.6906 26 E 4.4368 7.5813 119.9039 55.9050 30.4906 176.6577 27 S 4.6692 8.6181 116.5829 58.6555 64.5741 173.7814 28 I 4.3399 8.5112 123.5873 59.1268 38.3158 173.8260 29 P 4.4934 0.0000 0.0000 61.7802 31.9354 176.1331 30 K 4.1003 8.4591 122.6292 58.4882 32.2901 176.9150 31 D 4.7626 9.0767 124.2597 54.6208 40.3736 174.7893 32 S 4.4926 7.6648 114.3272 57.7606 64.6760 173.4220 33 L 4.5900 8.6295 124.1661 55.5447 43.2704 175.9034 34 R 5.1993 8.7921 122.3217 53.9569 33.3126 173.5869 *36 A 5.1097 8.3807 118.2737 52.8433 20.1031 176.7491 37 I 4.8968 7.9082 120.5143 59.4958 41.3130 174.4080 *39 V 4.0079 8.1881 111.7934 61.1176 33.3989 174.8211 40 Q 4.3728 8.4534 125.7209 56.0267 29.4179 175.4960 41 S 4.1640 8.3904 122.5644 56.7113 63.1972 172.0419 42 P 4.5014 0.0000 0.0000 62.6048 31.8239 175.6312 *44 F 4.4898 7.7821 111.9766 57.5999 38.9157 174.8290 45 D 4.5007 8.8008 122.1042 54.1745 39.8683 175.2654 46 G 4.3500 7.6837 111.1020 45.5196 0.0000 170.1069 47 K 4.8685 8.8651 122.1059 55.4320 33.6034 176.2005 48 V 4.4763 8.9158 124.7980 60.5250 33.3117 173.1327 49 P 4.3527 0.0000 0.0000 62.1333 32.7611 175.2419 50 H 4.5886 8.6050 121.9736 54.1554 29.5138 174.5867 51 W 4.9756 8.3706 123.9455 56.6615 30.7010 175.4984 52 Y 5.1493 8.8876 119.3873 55.4999 41.7570 174.8737 53 H 4.5369 8.8139 119.1861 55.9237 30.3468 176.1222 54 F 4.2171 8.7174 126.8238 62.0819 39.3387 178.2748 55 S 4.2933 8.3971 112.8495 61.5756 62.9402 175.8541 56 C 4.3276 7.8272 117.1258 62.1956 27.6487 175.4786 57 F 3.1474 7.7674 121.7853 60.7576 38.8638 176.7101 58 W 4.2698 7.2251 115.6370 58.0228 29.0856 177.0467 59 K 4.3587 7.6424 117.1490 56.5934 31.6956 177.4061 60 V 4.1004 7.5704 110.7249 60.9434 32.4162 176.1850 61 G 3.8726 8.1027 107.8143 45.4736 0.0000 173.6539 62 H 4.4411 7.0660 115.6093 55.4183 29.3884 175.0334 63 S 4.8245 8.2013 116.9915 57.1433 66.7535 173.8063 64 I 4.6057 8.3527 124.1344 59.7881 40.3105 175.5717 65 R 3.9750 8.9769 124.7091 58.8384 30.5093 177.3172 66 H 4.7161 8.9994 118.3834 52.2825 30.6157 172.1952 67 P 4.1358 0.0000 0.0000 65.3642 31.1364 177.8360 68 D 3.6328 7.3816 116.0941 55.8183 39.0942 178.0863 69 V 4.1648 7.5114 110.6886 61.6968 32.6963 176.9481 70 E 4.6095 8.2663 117.7693 55.7881 29.7560 175.4626 71 V 4.6364 7.4621 119.2603 60.5179 32.5354 174.2979 72 D 4.3897 8.8468 128.6195 55.7847 41.5851 177.1583 73 G 4.1187 9.0220 113.9126 46.1256 0.0000 174.8852 74 F 4.0559 8.2173 123.1494 61.2709 39.4059 177.1109 75 S 4.3148 8.1996 111.9380 59.9085 63.0570 174.2208 76 E 4.3777 7.9062 120.5894 56.6367 29.8368 176.3353 77 L 4.1905 7.3144 119.3097 53.9769 42.5156 177.7497 78 R 4.1490 8.6963 120.3634 56.0342 31.9417 177.7872 79 W 4.1944 9.0267 131.7626 61.0548 30.6193 178.1934 80 D 4.6982 8.0996 119.5030 55.9087 39.0145 178.0506 81 D 4.2542 8.0233 119.8482 56.8761 40.8495 178.4340 82 Q 3.4004 7.7519 118.8901 58.8955 28.2457 178.8633 83 Q 3.8665 7.6555 119.0340 58.4508 28.6925 178.6735 84 K 3.8964 7.9022 120.8241 59.4181 32.2684 178.9122 85 V 3.9839 7.8196 118.6017 66.1244 31.5182 177.9288 86 K 3.9287 8.1852 119.1595 59.5233 32.1065 179.0201 87 K 3.9392 8.3476 119.1618 59.8040 31.9552 179.6046 88 T 3.5903 8.4360 116.1297 66.2296 68.2116 176.7172 89 A 3.4102 7.5997 122.8642 54.9161 18.1919 179.5805 90 E 3.9655 7.8086 115.8250 59.1800 29.8609 179.0966 91 A 4.1626 7.9459 121.3626 54.8531 18.2638 179.7561 92 G 3.6987 7.8643 103.0663 47.1311 0.0000 175.7800 93 G 3.7018 7.4393 106.0464 47.2223 0.0000 173.8060 94 V 3.7513 7.3319 124.4047 63.1989 31.4958 175.3820 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 5 S 8.33 4.36 0.00 3.86 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 6 D 8.47 4.59 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.48 4.17 0.00 1.86 1.97 0.00 1.87 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.38 7.81 8 L 8.17 3.90 0.00 1.41 1.03 0.64 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.21 5.20 0.00 2.67 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 10 R 8.75 5.23 0.00 1.71 1.58 0.00 3.56 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 11 V 8.43 4.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 12 E 8.39 4.49 0.00 2.01 2.09 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 2.01 2.02 0.00 13 Y 8.25 4.93 0.00 2.92 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 14 A 9.10 3.66 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.60 4.14 0.00 1.67 1.85 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.36 7.81 16 S 7.52 4.59 0.00 3.87 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 17 G 8.52 4.44 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 0.00 18 R 7.74 4.20 0.00 1.81 1.99 0.00 3.17 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 19 A 7.78 4.31 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 5.02 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.85 4.36 0.00 2.97 2.97 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 22 K 8.22 4.18 0.00 0.81 1.57 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.29 7.81 23 K 7.99 4.45 0.00 1.94 2.12 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.56 7.81 24 C 8.05 4.42 0.00 3.19 3.23 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 0.00 25 S 8.30 4.34 0.00 4.21 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 0.00 26 E 7.58 4.44 0.00 2.08 1.97 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 2.37 2.44 0.00 27 S 8.62 4.67 0.00 4.05 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.51 4.34 1.76 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 0.80 0.89 0.85 0.00 0.00 29 P 0.00 4.49 0.00 2.20 1.99 0.00 3.71 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 30 K 8.46 4.10 0.00 1.75 1.72 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.61 7.81 31 D 9.08 4.76 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.66 4.49 0.00 4.01 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 33 L 8.63 4.59 0.00 1.87 1.65 0.67 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.79 5.20 0.00 2.13 1.99 0.00 2.30 0.00 0.00 2.75 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 0.00 *36 A 8.38 5.11 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 4.90 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.84 1.01 0.00 0.00 *39 V 8.19 4.01 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 0.73 0.00 0.00 0.80 0.00 0.00 40 Q 8.45 4.37 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 41 S 8.39 4.16 0.00 3.22 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.50 0.00 2.14 2.02 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 *44 F 7.78 4.49 0.00 3.18 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.80 4.50 0.00 2.67 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 46 G 7.68 4.35 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 0.00 47 K 8.87 4.87 0.00 1.62 1.67 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.39 7.81 48 V 8.92 4.48 1.96 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 0.65 0.00 0.00 1.01 0.00 0.00 49 P 0.00 4.35 0.00 0.59 1.08 0.00 3.46 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 50 H 8.60 4.59 0.00 3.11 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.37 4.98 0.00 3.26 3.03 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 0.00 0.00 0.00 0.00 52 Y 8.89 5.15 0.00 3.11 2.92 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 0.00 0.00 0.00 53 H 8.81 4.54 0.00 3.39 3.39 0.00 5.85 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.72 4.22 0.00 3.33 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.29 0.00 4.23 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 C 7.83 4.33 0.00 3.43 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.77 3.15 0.00 2.70 2.35 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 58 W 7.23 4.27 0.00 3.35 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.36 0.00 1.74 1.83 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.64 7.81 60 V 7.57 4.10 1.94 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 0.72 0.00 0.00 0.40 0.00 0.00 61 G 8.10 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.07 4.44 0.00 1.98 2.73 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.20 4.82 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.61 2.04 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.94 0.00 0.00 65 R 8.98 3.98 0.00 1.84 1.68 0.00 3.15 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 66 H 9.00 4.72 0.00 3.03 3.11 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.14 0.00 1.56 2.00 0.00 3.46 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 68 D 7.38 3.63 0.00 2.71 2.42 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 69 V 7.51 4.16 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 0.78 0.00 0.00 0.93 0.00 0.00 70 E 8.27 4.61 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 71 V 7.46 4.64 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 72 D 8.85 4.39 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.22 4.06 0.00 3.12 3.07 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 0.00 0.00 0.00 0.00 75 S 8.20 4.31 0.00 4.11 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.91 4.38 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 77 L 7.31 4.19 0.00 1.41 1.44 0.67 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.70 4.15 0.00 1.98 1.92 0.00 3.11 0.00 0.00 2.95 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 79 W 9.03 4.19 0.00 3.42 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.10 4.70 0.00 2.96 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.02 4.25 0.00 2.84 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.75 3.40 0.00 1.60 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 1.67 2.35 0.00 83 Q 7.66 3.87 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.16 1.80 0.00 84 K 7.90 3.90 0.00 1.83 1.52 0.00 0.64 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.39 7.81 85 V 7.82 3.98 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.16 0.00 0.00 86 K 8.19 3.93 0.00 2.15 1.89 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.42 7.81 87 K 8.35 3.94 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.59 7.81 88 T 8.44 3.59 3.92 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 0.00 0.00 -0.18 0.00 0.00 89 A 7.60 3.41 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 90 E 7.81 3.97 0.00 1.91 1.97 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 2.29 2.39 0.00 91 A 7.95 4.16 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 92 G 7.86 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.44 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.33 3.75 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.