NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2722 8.3344 116.7855 58.5117 65.1307 173.7235 -7 D 5.3540 7.5923 122.0765 51.6169 41.3542 174.0230 -6 P 4.0668 0.0000 0.0000 65.9520 32.2132 178.0763 -5 S 4.8992 7.8927 109.3969 59.3692 62.7886 174.3686 -4 S 4.7852 8.1047 117.6873 58.5158 64.1107 176.0028 -3 I 4.5554 7.9181 121.2719 61.8397 38.9857 177.7084 -2 N 5.1015 7.6043 115.8271 52.2505 40.0323 176.0309 -1 G 4.0577 7.7813 105.5269 44.5272 0.0000 172.0049 -7 G 4.6740 7.5823 110.4765 42.5169 0.0000 172.6230 -6 I 3.8168 9.4386 128.0406 63.7520 38.9132 177.1763 -5 V 4.5492 7.6127 112.8969 63.2692 31.8886 176.0686 -4 V 4.4352 7.8247 121.1873 62.4158 33.2107 177.7028 -3 A 4.7054 8.1581 125.1719 53.2397 19.2857 179.1084 -2 M 4.8415 7.4843 116.7271 54.5505 34.0323 177.1310 -1 T 4.4477 7.6013 110.3269 61.2272 67.4904 171.8049 8 G 4.0604 8.9350 114.3828 44.4967 0.0000 172.2008 9 K 4.0602 8.7536 124.8062 56.6259 32.0652 177.1917 10 D 4.4529 8.6858 128.1973 54.5778 38.8283 173.2205 11 C 4.7237 7.3431 109.0642 57.5363 32.1065 172.7000 12 V 4.9540 8.0583 112.7921 59.6851 35.1593 174.7068 13 A 4.7578 8.3726 123.9383 50.2678 22.1562 175.3419 14 I 5.3305 8.0158 119.1254 59.6772 41.0573 173.9511 15 A 4.9598 8.5393 129.4718 50.7042 22.4606 174.2601 16 C 5.4799 8.3645 112.9821 57.1685 33.1309 173.0406 17 D 4.7526 8.5070 119.8155 52.4461 41.3712 175.9559 18 L 5.1284 8.1863 114.6863 53.6322 43.5234 176.6525 19 R 4.5540 8.2459 119.4073 56.2436 31.3626 175.9980 20 L 4.2841 8.5834 126.5721 54.0974 45.0935 174.6552 21 G 4.4493 8.2732 112.5622 44.6483 0.0000 171.5163 22 S 4.6591 8.8341 114.7245 55.6649 62.7332 175.5276 23 Q 3.7000 8.7529 129.2717 56.6236 26.2913 176.9724 24 S 4.1998 8.7447 120.2705 61.5775 63.4834 174.3616 25 L 4.0657 7.8518 124.2938 54.4025 42.2921 175.5902 26 G 4.1134 8.5893 115.6543 45.0655 0.0000 172.6342 27 V 4.1477 8.4794 123.1189 63.6863 33.4047 175.6956 28 S 4.7727 8.4047 113.4623 56.5078 65.2438 173.3530 29 N 5.4661 8.7794 122.8134 52.7195 37.4578 174.7387 30 K 4.6081 7.9745 114.3671 57.0029 34.8713 176.7573 31 F 4.4409 8.3936 124.8567 57.3643 39.1815 174.5713 32 E 4.1835 8.1814 124.9813 55.5929 30.5278 176.7249 33 K 4.4082 8.3975 119.7663 56.0594 34.2374 175.0971 34 I 4.8028 7.0955 120.7921 59.6213 39.4958 174.7097 35 F 4.9432 9.0990 123.8739 56.4176 44.2095 172.8649 36 H 4.9497 7.3755 112.9585 54.4774 31.6163 172.7632 *38 Y 4.6791 7.9546 116.3574 58.8250 38.6474 175.4563 39 G 4.1383 8.2626 117.3861 46.8981 0.0000 172.5573 40 H 4.6652 8.8809 120.7185 55.4275 29.1780 174.8017 41 V 4.3316 7.2610 121.2952 61.7401 33.2194 174.5844 42 F 5.1122 9.4257 126.6092 55.7738 42.0896 174.5674 43 L 5.3343 9.3680 123.7846 53.6621 45.3868 175.1100 44 G 4.4886 9.6460 114.3782 44.8791 0.0000 172.5424 45 I 5.2402 9.0198 124.7607 59.8553 40.2658 174.9648 46 T 4.5625 9.1910 116.7448 60.4989 71.4614 173.7221 47 G 3.6563 8.7641 107.7005 44.2597 0.0000 173.1455 48 L 3.9704 8.7688 125.2094 55.0856 42.5231 178.2505 49 A 4.1101 9.4688 129.0810 56.0134 18.0815 178.7607 50 T 3.9057 8.0743 110.6278 65.7417 67.2154 175.6613 51 D 4.3943 8.1653 120.1359 56.9923 40.8530 178.6967 52 V 3.6733 7.9053 119.0539 66.2326 31.5712 178.2877 53 T 3.8295 8.5447 115.7936 66.9504 68.3303 176.4858 54 T 3.7722 7.9368 117.7129 67.0380 68.4728 176.4960 55 L 3.3034 7.8200 120.5778 57.3041 41.5115 179.1793 56 N 4.2285 7.5051 118.2535 56.2600 38.9284 176.7666 57 E 3.9658 8.0196 119.8596 59.4549 29.3631 179.2036 58 M 3.7022 7.7849 118.2798 58.7234 32.2769 178.4784 59 F 4.3448 7.7572 117.8800 60.0852 38.8075 177.5897 60 R 3.9676 8.0970 119.0212 59.4023 29.9956 177.3415 61 Y 4.1010 7.9870 118.9760 61.0461 38.6634 178.6851 62 K 4.1848 8.7249 119.3337 59.9454 32.3554 179.5314 63 T 3.8914 8.2486 110.1519 65.0144 68.4047 175.7883 64 N 4.3448 8.5604 119.6291 56.3119 38.6540 177.1842 65 L 3.9948 8.0218 120.1504 57.9704 41.7402 179.2201 66 Y 3.9697 8.3401 119.8733 60.6340 38.7739 178.0918 67 K 4.7175 8.3299 121.8998 59.0746 32.0703 178.8041 68 L 4.0102 7.8581 118.6107 57.1798 41.5356 178.9914 69 K 4.1887 7.6277 117.1636 58.7959 32.7295 178.7191 70 E 3.8683 8.2427 117.1354 56.4924 29.9531 176.4931 71 E 3.8376 7.8357 117.7820 56.5379 27.8286 173.8343 72 R 4.3584 7.1414 111.3107 55.6875 31.8131 173.4367 73 A 4.6423 8.5175 121.7950 51.1758 19.6174 177.5319 74 I 3.7412 8.1183 121.1053 60.9976 38.3792 175.9759 75 E 4.6028 8.2757 124.9783 54.2186 32.5201 175.6913 76 P 4.3377 0.0000 0.0000 66.0657 31.3037 178.8011 77 E 3.9740 8.1992 116.6283 59.7794 29.3938 179.5645 78 T 3.8630 7.8128 115.0727 66.6788 68.6144 176.2961 79 F 4.0150 8.5108 122.9533 61.5861 39.1443 177.2308 80 T 3.6168 8.0504 115.2473 66.8095 68.3010 176.4665 81 Q 3.8971 7.6854 119.8659 58.8242 28.6946 178.8738 82 L 3.8524 7.7568 121.3558 57.9563 42.0928 179.1794 83 V 3.2901 7.3342 118.4807 65.8288 31.3426 177.6944 84 S 4.0766 8.0446 113.2890 61.6783 62.1073 176.4828 85 S 4.2037 8.0562 116.6092 61.3482 62.5418 176.5316 86 S 4.1811 7.9122 118.3229 61.3674 62.7673 176.3574 87 L 4.2605 8.2032 121.7443 58.0404 41.5664 178.7954 88 Y 3.8624 8.2635 118.7659 59.7168 38.4226 177.2949 89 E 4.0494 7.9417 119.4651 58.4356 30.0959 176.9870 90 R 4.4292 7.8105 118.3610 55.1651 30.8854 178.1186 91 R 3.2927 7.0372 120.7899 59.0023 29.7781 177.0090 92 F 4.9327 7.7029 114.3624 55.9248 40.0445 176.3294 93 G 5.0046 6.7985 117.9540 45.7152 0.0000 170.8517 94 P 4.0822 0.0000 0.0000 62.2388 32.8094 176.0955 95 Y 4.1055 7.6756 116.5698 57.6203 38.9724 177.0846 96 F 4.7590 8.8961 125.7589 56.6072 37.2389 174.3552 97 V 5.0221 7.7495 113.4923 59.6268 36.3887 176.8241 98 G 4.1614 9.2541 108.6099 43.9702 0.0000 169.9959 99 P 5.0250 0.0000 0.0000 62.5659 32.8188 175.7309 100 V 4.4701 9.1614 122.7315 61.1919 34.7057 174.1463 101 V 5.0770 8.6283 127.0702 61.2388 33.7153 174.4918 102 A 4.7591 9.1701 128.2189 49.7961 22.7592 175.4158 103 G 4.3148 7.9853 108.7375 46.6959 0.0000 171.8150 104 I 4.6156 8.1609 120.4411 59.0757 39.4368 175.7558 105 N 4.9610 8.6473 120.9535 53.4238 38.8168 174.5322 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 -8 S 8.33 4.27 0.00 3.84 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 -7 D 7.59 5.35 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.07 0.00 1.26 1.49 0.00 3.25 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.63 0.00 -5 S 7.89 4.90 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.79 0.00 3.80 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 -3 I 7.92 4.56 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 0.88 0.00 0.00 -2 N 7.60 5.10 0.00 2.72 2.69 0.00 0.00 7.63 7.65 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 -1 G 7.78 4.06 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 0.00 0.00 0.00 -7 G 7.58 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.44 3.82 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 0.81 0.91 0.00 0.00 -5 V 7.61 4.55 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 7.82 4.44 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 0.86 0.00 0.00 0.93 0.00 0.00 -3 A 8.16 4.71 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.48 4.84 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 -1 T 7.60 4.45 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 8 G 8.93 4.06 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 0.00 0.00 0.00 9 K 8.75 4.06 0.00 1.70 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.69 4.45 0.00 2.80 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 11 C 7.34 4.72 0.00 3.01 2.94 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 12 V 8.06 4.95 2.04 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 0.75 0.00 0.00 0.85 0.00 0.00 13 A 8.37 4.76 1.12 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 14 I 8.02 5.33 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 0.77 0.00 0.00 15 A 8.54 4.96 1.15 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 0.00 0.00 16 C 8.36 5.48 0.00 3.06 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 17 D 8.51 4.75 0.00 2.73 2.77 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 18 L 8.19 5.13 0.00 1.61 1.80 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.25 4.55 0.00 1.85 1.99 0.00 3.23 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 20 L 8.58 4.28 0.00 1.50 1.52 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.27 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.83 4.66 0.00 3.76 3.73 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 23 Q 8.75 3.70 0.00 2.24 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 24 S 8.74 4.20 0.00 3.97 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 25 L 7.85 4.07 0.00 1.74 1.75 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.59 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.48 4.15 2.17 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 0.82 0.00 0.00 0.96 0.00 0.00 28 S 8.40 4.77 0.00 3.86 3.68 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 0.00 0.00 0.00 0.00 29 N 8.78 5.47 0.00 2.85 2.86 0.00 0.00 5.86 7.13 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 30 K 7.97 4.61 0.00 1.61 1.80 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.39 7.81 31 F 8.39 4.44 0.00 3.16 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 32 E 8.18 4.18 0.00 1.57 1.61 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 2.21 2.36 0.00 33 K 8.40 4.41 0.00 1.68 2.04 0.00 1.80 0.00 0.00 1.97 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.65 1.51 7.81 34 I 7.10 4.80 1.75 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 1.25 0.80 1.04 0.00 0.00 35 F 9.10 4.94 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 36 H 7.38 4.95 0.00 2.00 1.69 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.95 4.68 0.00 2.65 2.83 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 39 G 8.26 4.14 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 0.00 0.00 0.00 40 H 8.88 4.67 0.00 3.35 3.42 0.00 5.51 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 41 V 7.26 4.33 1.86 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 0.81 0.00 0.00 0.73 0.00 0.00 42 F 9.43 5.11 0.00 3.16 2.96 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 43 L 9.37 5.33 0.00 2.10 1.88 1.11 1.40 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 44 G 9.65 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.02 5.24 2.18 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 1.05 0.00 0.00 46 T 9.19 4.56 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 1.29 0.00 0.00 47 G 8.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.77 3.97 0.00 1.91 1.78 0.95 1.39 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 49 A 9.47 4.11 1.10 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 0.00 0.00 50 T 8.07 3.91 4.29 0.00 0.00 0.00 0.00 0.00 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 51 D 8.17 4.39 0.00 3.07 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 52 V 7.91 3.67 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 1.44 0.00 0.00 1.24 0.00 0.00 53 T 8.54 3.83 4.46 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 1.24 0.00 0.00 54 T 7.94 3.77 4.27 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 0.98 0.00 0.00 55 L 7.82 3.30 0.00 1.51 1.46 0.86 -0.56 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 56 N 7.51 4.23 0.00 1.55 2.52 0.00 0.00 6.93 8.52 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 57 E 8.02 3.97 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 58 M 7.78 3.70 0.00 1.42 1.59 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 59 F 7.76 4.34 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.97 0.00 2.19 2.17 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 61 Y 7.99 4.10 0.00 3.16 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 62 K 8.72 4.18 0.00 1.99 2.00 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.60 1.69 7.81 63 T 8.25 3.89 4.19 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 0.00 0.00 0.00 0.90 0.00 0.00 64 N 8.56 4.34 0.00 2.98 2.84 0.00 0.00 6.92 7.42 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 65 L 8.02 3.99 0.00 1.76 1.74 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.34 3.97 0.00 3.14 3.08 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 67 K 8.33 4.72 0.00 2.12 1.98 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 68 L 7.86 4.01 0.00 1.83 1.69 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.63 4.19 0.00 1.62 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.54 7.81 70 E 8.24 3.87 0.00 1.44 1.68 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 0.00 1.61 1.47 0.00 71 E 7.84 3.84 0.00 2.08 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 2.23 2.19 0.00 72 R 7.14 4.36 0.00 1.98 2.00 0.00 3.02 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 73 A 8.52 4.64 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 74 I 8.12 3.74 0.99 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.25 0.63 0.00 0.00 75 E 8.28 4.60 0.00 2.05 1.89 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 2.42 2.39 0.00 76 P 0.00 4.34 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 77 E 8.20 3.97 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 2.42 2.49 0.00 78 T 7.81 3.86 4.20 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 1.23 0.00 0.00 79 F 8.51 4.01 0.00 3.02 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 80 T 8.05 3.62 4.40 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 1.15 0.00 0.00 81 Q 7.69 3.90 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 82 L 7.76 3.85 0.00 1.65 1.47 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.33 3.29 1.79 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 0.77 0.00 0.00 -0.62 0.00 0.00 84 S 8.04 4.08 0.00 3.85 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 S 8.06 4.20 0.00 4.13 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 86 S 7.91 4.18 0.00 4.31 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 87 L 8.20 4.26 0.00 1.93 1.77 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.26 3.86 0.00 3.13 2.94 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 89 E 7.94 4.05 0.00 2.18 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 0.00 2.29 2.35 0.00 90 R 7.81 4.43 0.00 1.63 1.65 0.00 2.83 0.00 0.00 2.79 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 0.00 91 R 7.04 3.29 0.00 0.67 0.96 0.00 2.72 0.00 0.00 2.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.70 4.93 0.00 3.00 2.91 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 0.00 0.00 0.00 93 G 6.80 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 1.91 1.84 0.00 3.59 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 95 Y 7.68 4.11 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 96 F 8.90 4.76 0.00 3.07 3.04 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 97 V 7.75 5.02 2.25 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 0.81 0.00 0.00 1.07 0.00 0.00 98 G 9.25 4.16 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 0.00 0.00 0.00 99 P 0.00 5.03 0.00 1.98 2.07 0.00 3.68 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 2.09 2.18 0.00 100 V 9.16 4.47 2.15 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 0.98 0.00 0.00 0.98 0.00 0.00 101 V 8.63 5.08 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 1.04 0.00 0.00 1.00 0.00 0.00 102 A 9.17 4.76 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 0.00 103 G 7.99 4.31 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 0.00 104 I 8.16 4.62 1.91 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 1.30 0.70 0.93 0.00 0.00 105 N 8.65 4.96 0.00 2.72 2.72 0.00 0.00 7.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.