NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3563 8.3349 115.2904 57.6775 63.5255 173.1661 1 L 4.0164 8.3468 126.0999 52.6690 41.8703 174.9608 2 K 4.4705 8.7093 121.8568 56.7107 36.7237 175.1202 3 G 3.9872 8.4698 105.7913 45.4261 0.0000 172.0759 4 L 4.3022 8.3700 120.3378 55.2584 42.2044 177.9993 5 R 4.5995 9.5158 122.9781 56.5608 32.7797 176.4137 6 R 5.7553 7.5927 117.0983 54.5935 34.1406 173.8372 7 L 5.2851 8.5490 124.0789 52.9681 45.9926 175.2693 8 V 4.7633 9.0263 124.0896 61.3050 33.6723 174.0953 9 L 5.1955 9.0779 128.8157 52.9565 44.5262 175.1389 10 D 4.9684 9.2601 124.6189 53.4526 42.5468 175.2015 11 V 4.8611 8.6593 125.5210 60.9959 35.3968 173.6824 12 L 5.1637 8.4184 128.9173 53.4934 44.6060 175.0579 13 K 4.8828 8.3342 122.6942 55.3828 36.2012 173.2365 14 P 5.1648 0.0000 0.0000 61.6093 32.4095 175.8149 15 H 4.2084 8.5530 117.0107 58.4551 28.7938 175.5547 16 E 4.7353 7.9085 117.1575 53.6035 31.5721 174.0910 17 P 4.6653 0.0000 0.0000 61.7396 32.8457 175.9843 18 K 4.2871 8.3784 117.9538 56.0537 32.7473 178.4113 19 T 3.7663 8.6356 112.4825 65.3667 67.9881 176.3709 20 I 3.7211 7.8258 121.9910 64.2780 37.0742 178.1798 21 V 3.5957 8.0624 118.9658 65.9916 31.3747 177.8090 22 F 3.9274 8.6934 116.7629 60.6246 38.7393 177.0700 23 A 4.0415 8.4801 120.4123 55.4923 18.1742 179.3663 24 L 3.9872 8.0871 118.6278 57.3543 41.5298 179.6994 25 K 3.8272 8.1364 117.5992 59.8328 32.5174 179.0475 26 L 4.1567 8.4517 119.5246 57.7604 41.2427 179.6238 27 S 4.3203 8.4913 113.9503 60.4559 62.7813 175.1768 28 E 4.4976 7.6052 120.7595 55.3844 29.9402 176.2711 29 L 4.1853 7.3165 120.5808 54.2400 42.5286 177.5310 30 E 3.8791 8.9726 123.6835 59.5410 29.7198 177.5891 31 N 4.6958 8.0207 113.2287 53.0867 38.9808 174.2228 32 V 4.2325 7.3548 120.3214 62.9351 31.7116 175.7655 33 D 4.5455 9.6509 129.1673 57.1699 42.1662 176.4077 34 G 4.4143 7.6049 102.7476 45.8560 0.0000 172.5275 35 V 5.0603 8.3141 119.0052 61.1268 34.8843 173.4853 36 N 5.0207 9.5943 126.1110 51.8081 41.7884 172.7979 37 I 4.7880 8.5258 126.6128 59.9722 39.7222 174.1607 38 H 4.8137 9.0436 128.5039 54.0979 31.7331 173.4933 39 L 4.2897 8.2763 128.4284 55.4744 41.9651 176.3643 40 S 4.4214 9.3024 123.9105 60.6269 63.8045 174.5024 41 E 4.7338 7.5994 116.1693 55.6843 32.5676 174.5513 42 I 4.7806 8.5140 126.4972 59.7925 39.6935 175.1143 43 D 5.0024 8.3169 123.8034 53.2253 43.8975 174.4750 44 Q 4.1465 8.6925 119.0803 57.2760 29.5490 175.8211 45 A 3.6240 9.0984 122.9261 53.0503 17.0864 175.8187 46 T 5.0493 7.3729 111.7317 62.2519 73.6833 172.9589 47 E 4.9454 8.8178 123.1366 55.5752 33.6352 173.4069 48 N 5.2735 9.3322 126.1495 51.9588 40.3190 174.3020 49 I 5.0128 8.4437 117.1246 58.9027 41.6629 174.3746 50 K 5.0181 9.0681 123.0050 54.8566 34.6400 175.1941 51 I 4.7937 8.9706 126.7210 59.9365 39.6596 174.6948 52 T 5.0438 9.3642 125.0488 61.9370 70.7521 173.5403 53 I 4.8966 8.6004 127.8126 59.3681 40.0420 174.3255 54 L 4.9778 8.4387 129.5821 53.4364 44.4366 175.8958 55 G 4.3217 8.0928 110.8618 46.4183 0.0000 170.6052 56 N 4.9918 8.6360 119.5288 52.2679 41.4867 175.6809 57 N 4.1599 8.5416 124.8372 54.3329 38.0967 174.2811 58 L 4.0116 7.9717 116.9482 55.0335 42.9133 177.9978 59 D 4.7019 8.4259 121.3602 52.8432 41.7286 176.3119 60 Y 4.1708 8.6102 128.2317 61.1816 38.8457 177.5841 61 E 3.8395 8.5226 118.6360 59.8203 29.6711 179.2604 62 Q 3.9856 8.4759 119.1245 58.7729 29.0541 178.3941 63 I 3.6679 7.4442 120.9657 64.1940 37.2087 178.0907 64 K 3.8285 7.9418 120.9005 59.2269 31.7914 178.9179 65 G 3.5248 7.9977 105.9322 47.8188 0.0000 175.4184 66 V 3.4926 7.2144 119.4163 65.6903 31.7283 177.4755 67 I 3.8540 7.7282 119.0890 64.8867 36.8758 178.2843 68 E 4.8344 8.0544 118.9375 58.7142 29.5370 179.9045 69 D 4.6608 8.0482 120.3548 53.6889 40.7103 177.4458 *71 G 3.8714 8.0106 106.2783 44.9122 0.0000 173.5950 72 G 4.3858 8.2482 108.1861 45.3633 0.0000 173.5411 73 V 4.9044 8.3402 119.0629 59.9134 35.2331 174.3066 74 I 4.4889 8.4054 124.5705 61.1999 37.1894 175.3160 75 H 4.7516 9.3132 126.2038 58.4123 29.4730 176.0704 76 S 4.6279 7.8860 110.2269 57.2373 66.3717 173.9375 77 V 4.5624 8.2962 121.8433 61.9071 31.0954 174.9742 78 D 4.6401 9.1516 129.9081 56.8094 41.7246 176.9760 79 E 4.7487 7.8679 117.5397 54.8851 33.2187 174.0842 80 V 4.9273 8.3712 125.2784 61.0800 34.8759 174.4912 81 V 4.5531 8.7716 126.5308 61.0970 34.1926 174.0647 82 A 4.9806 9.0982 128.1375 51.0496 22.4037 175.1132 83 G 3.7055 7.8331 105.2190 44.5744 0.0000 173.4951 84 K 4.3918 8.6057 117.8139 57.4111 33.0966 176.9455 85 I 4.4166 7.3699 118.1033 59.1729 39.0451 175.1944 86 I 3.9173 8.2705 125.6101 61.0168 37.1959 175.4375 87 V 4.2895 8.2374 125.5254 61.0546 33.0163 174.9164 88 E 4.5252 8.3956 126.1283 54.7243 31.0799 175.8299 89 S 4.2053 8.2987 115.9240 58.2646 63.1773 174.3414 90 V 3.8187 8.2803 125.5874 63.1965 31.3023 175.5045 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 0 S 8.33 4.36 0.00 3.85 3.83 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 1 L 8.35 4.02 0.00 1.76 1.61 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.71 4.47 0.00 1.89 1.89 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.43 7.81 3 G 8.47 3.99 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 0.00 0.00 0.00 4 L 8.37 4.30 0.00 1.65 1.65 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.52 4.60 0.00 1.76 1.95 0.00 3.44 0.00 0.00 3.41 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 6 R 7.59 5.76 0.00 1.84 1.71 0.00 3.16 0.00 0.00 3.30 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 7 L 8.55 5.29 0.00 1.65 1.58 1.11 0.85 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 8 V 9.03 4.76 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.94 0.00 0.00 9 L 9.08 5.20 0.00 1.60 1.58 0.97 0.97 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 10 D 9.26 4.97 0.00 2.89 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 11 V 8.66 4.86 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 0.93 0.00 0.00 0.95 0.00 0.00 12 L 8.42 5.16 0.00 1.42 1.28 0.86 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.33 4.88 0.00 1.89 1.73 0.00 0.66 0.00 0.00 0.84 0.00 0.00 2.34 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.28 1.24 7.81 14 P 0.00 5.16 0.00 2.21 2.08 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 15 H 8.55 4.21 0.00 3.18 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.91 4.74 0.00 1.96 1.88 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 2.25 2.23 0.00 17 P 0.00 4.67 0.00 2.26 2.10 0.00 3.93 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 18 K 8.38 4.29 0.00 1.89 1.79 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.56 1.53 7.81 19 T 8.64 3.77 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 20 I 7.83 3.72 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.94 0.00 0.00 21 V 8.06 3.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 22 F 8.69 3.93 0.00 3.31 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 23 A 8.48 4.04 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 24 L 8.09 3.99 0.00 1.85 1.74 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.14 3.83 0.00 1.74 1.82 0.00 1.56 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.48 7.81 26 L 8.45 4.16 0.00 1.88 1.74 1.02 0.71 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 27 S 8.49 4.32 0.00 4.04 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 0.00 28 E 7.61 4.50 0.00 2.10 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 2.30 2.46 0.00 29 L 7.32 4.19 0.00 1.79 1.58 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.97 3.88 0.00 1.92 1.99 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 2.30 2.35 0.00 31 N 8.02 4.70 0.00 2.76 2.98 0.00 0.00 6.73 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 32 V 7.35 4.23 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 0.85 0.00 0.00 0.97 0.00 0.00 33 D 9.65 4.55 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.60 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 0.00 0.00 0.00 0.00 35 V 8.31 5.06 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 0.86 0.00 0.00 0.98 0.00 0.00 36 N 9.59 5.02 0.00 2.72 2.62 0.00 0.00 6.75 7.81 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 37 I 8.53 4.79 1.87 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 1.24 0.82 0.84 0.00 0.00 38 H 9.04 4.81 0.00 3.22 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.28 4.29 0.00 1.60 1.45 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.30 4.42 0.00 3.80 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 41 E 7.60 4.73 0.00 1.97 1.70 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 2.17 2.23 0.00 42 I 8.51 4.78 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.96 0.00 0.00 43 D 8.32 5.00 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.69 4.15 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.17 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 45 A 9.10 3.62 1.34 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 0.00 0.00 46 T 7.37 5.05 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 47 E 8.82 4.95 0.00 1.99 1.81 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 2.11 2.24 0.00 48 N 9.33 5.27 0.00 2.75 2.69 0.00 0.00 6.08 6.91 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 49 I 8.44 5.01 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.76 0.00 0.00 50 K 9.07 5.02 0.00 1.67 1.76 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.37 1.56 7.81 51 I 8.97 4.79 1.90 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 1.21 0.60 0.95 0.00 0.00 52 T 9.36 5.04 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 53 I 8.60 4.90 1.91 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 1.14 0.74 0.94 0.00 0.00 54 L 8.44 4.98 0.00 1.76 1.50 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.09 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 4.99 0.00 2.72 2.67 0.00 0.00 7.27 7.18 0.00 0.00 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 N 8.54 4.16 0.00 2.93 2.78 0.00 0.00 7.26 7.94 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 58 L 7.97 4.01 0.00 1.72 1.63 0.99 1.12 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 59 D 8.43 4.70 0.00 2.75 2.58 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 60 Y 8.61 4.17 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.52 3.84 0.00 2.24 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 2.52 2.39 0.00 62 Q 8.48 3.99 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 63 I 7.44 3.67 1.92 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 1.39 0.87 0.86 0.00 0.00 64 K 7.94 3.83 0.00 1.10 1.62 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.32 7.81 65 G 8.00 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 66 V 7.21 3.49 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 67 I 7.73 3.85 2.01 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 1.68 0.61 1.08 0.00 0.00 68 E 8.05 4.83 0.00 1.90 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 2.41 0.00 69 D 8.05 4.66 0.00 2.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 G 8.01 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 72 G 8.25 4.39 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 0.00 73 V 8.34 4.90 2.12 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 0.76 0.00 0.00 0.98 0.00 0.00 74 I 8.41 4.49 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 1.02 0.00 0.00 75 H 9.31 4.75 0.00 3.20 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.89 4.63 0.00 3.87 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 77 V 8.30 4.56 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 0.81 0.00 0.00 0.98 0.00 0.00 78 D 9.15 4.64 0.00 2.60 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.87 4.75 0.00 2.01 1.73 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 2.28 2.30 0.00 80 V 8.37 4.93 2.06 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 0.82 0.00 0.00 0.89 0.00 0.00 81 V 8.77 4.55 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 0.92 0.00 0.00 0.99 0.00 0.00 82 A 9.10 4.98 1.21 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 0.00 0.00 83 G 7.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.61 4.39 0.00 1.75 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.45 7.81 85 I 7.37 4.42 1.87 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 1.41 0.56 0.91 0.00 0.00 86 I 8.27 3.92 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 0.91 0.00 0.00 87 V 8.24 4.29 2.08 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 0.82 0.00 0.00 1.00 0.00 0.00 88 E 8.40 4.53 0.00 1.99 1.85 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 2.26 2.22 0.00 89 S 8.30 4.21 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 3.82 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.