NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3536 8.3149 120.0850 55.8948 35.0231 175.5520 4 I 4.6723 7.2370 121.4654 58.3695 38.9618 173.3022 5 R 5.7524 9.0154 127.6435 53.7847 32.9096 174.0478 6 I 5.0907 8.3777 118.6380 59.2603 40.6570 174.8147 7 K 4.3980 8.9290 125.6899 55.5329 34.4516 175.7640 8 L 4.8923 8.7908 122.5651 53.0147 42.9605 175.9701 9 R 4.8303 8.7648 122.1724 54.2294 32.7362 175.5030 10 G 4.0630 7.3392 107.8496 46.9361 0.0000 173.8278 11 F 4.9878 8.3650 118.0012 59.7193 39.7968 176.3903 12 D 4.6734 8.0374 121.6268 53.5806 41.6287 176.3183 13 H 4.2712 8.8710 122.8834 58.3557 29.0636 177.4133 14 K 3.8409 7.6047 117.8052 58.0619 32.3881 177.3844 15 T 4.3766 7.6670 108.2314 63.2145 70.1520 175.8719 16 L 4.0457 7.7796 121.5309 56.6038 42.2681 177.9522 17 D 4.4678 8.3626 118.1681 57.3571 41.0038 177.9651 18 A 4.3318 7.8976 120.1078 54.4691 18.1929 178.6202 19 S 4.3737 7.9088 111.7696 59.3615 63.4353 175.3343 20 A 4.4056 8.1934 124.3577 54.3701 19.6341 179.1393 21 Q 3.9812 7.9490 117.1365 58.6937 29.0705 178.3419 22 K 3.8915 7.6698 120.0052 59.7304 32.1741 178.8231 23 I 4.0953 7.5997 117.3714 63.4277 37.1446 178.0651 24 V 3.7644 7.7348 119.9780 65.6751 31.3726 177.4944 25 E 4.0678 8.2804 117.6212 58.1526 29.3831 177.7803 26 A 4.6037 8.3307 119.4257 51.9633 18.7830 177.4712 27 A 4.6349 8.2591 123.2680 54.8173 25.1787 179.5482 28 R 4.0516 7.5906 113.7143 57.8234 30.0878 177.2966 29 R 4.5082 7.7807 113.0313 56.4125 31.4775 177.1553 30 S 4.3718 8.0743 113.6195 59.4642 63.5841 173.4482 31 G 4.2452 8.7747 107.6992 42.9518 0.0000 173.3737 32 A 4.3699 8.1461 122.7650 51.8120 18.5265 177.2837 33 Q 4.2663 8.5869 113.4374 56.7287 30.3856 175.9125 34 V 4.6300 8.0657 121.1840 60.6688 34.2426 175.0441 35 S 4.0818 8.8205 123.3725 58.7658 62.9337 174.7385 36 G 3.9118 8.9041 113.8965 44.0229 0.0000 170.6539 37 P 4.3983 0.0000 0.0000 62.7865 31.5605 176.0332 38 I 4.2724 8.8595 120.9325 58.9936 39.1532 173.3833 39 P 4.9943 0.0000 0.0000 61.6563 31.7010 176.0877 40 L 4.4132 9.0268 125.8890 53.1654 42.6539 175.6568 41 P 4.2422 0.0000 0.0000 63.3369 31.6261 176.5132 42 T 4.2446 8.5109 119.2245 63.9120 70.1930 172.8887 43 R 4.5935 9.1053 122.8795 54.6226 32.4322 175.5136 44 V 4.4510 8.3763 123.6589 61.4283 33.6636 176.0374 45 R 4.7719 7.9776 125.0435 54.8707 30.3094 173.9708 46 R 4.6228 8.0715 119.9881 56.3079 31.7612 177.0549 47 F 4.5116 9.6833 121.2050 56.1812 41.9859 173.9905 48 T 4.8216 8.4102 120.8745 62.3430 70.0496 174.7450 49 V 4.5805 8.1022 123.6983 60.6443 35.5782 172.9617 50 I 4.5232 8.1032 115.0294 59.3584 38.8622 175.5119 51 R 4.0729 9.0623 125.0847 59.2220 30.0620 177.5612 52 G 3.8555 7.8967 105.2108 44.9106 0.0000 171.7425 53 P 4.4858 0.0000 0.0000 63.6238 31.4783 175.2667 54 F 4.9045 7.5101 117.8584 58.2986 42.2521 175.2790 55 K 4.2459 7.5884 130.9975 56.6993 33.8311 176.6783 56 H 4.7670 8.6216 126.3466 56.4150 29.7320 176.7739 57 K 4.1721 7.4014 121.0853 58.4149 33.4493 174.8285 58 D 4.9206 8.5149 120.1507 56.4913 43.2961 177.2743 59 S 3.6188 7.7338 110.0036 60.6034 60.4196 172.6346 60 R 4.5871 7.1511 124.6912 55.8025 31.2311 175.6748 61 E 4.6128 8.4217 116.2235 55.4907 33.0549 174.3564 62 H 4.5107 8.3362 119.8315 54.1500 32.0136 172.5723 63 F 5.4923 7.6550 119.3348 56.6554 42.6193 173.6324 64 E 5.2545 8.8313 115.0699 56.1531 32.0428 174.8825 65 L 4.4039 8.6034 124.0441 53.4428 43.5114 175.3291 66 R 4.5617 8.3390 125.4320 56.2838 31.3965 177.1940 67 T 4.8290 9.1032 119.8036 61.9680 69.8435 172.1477 68 H 4.8172 8.8677 122.6783 54.8132 30.6644 173.8738 69 N 5.3179 8.8184 118.9923 51.5766 41.7316 173.4498 70 R 5.0834 8.7665 122.6277 54.2123 33.8533 174.6552 71 L 5.0606 9.5138 124.9543 53.4500 45.5346 175.3464 72 V 4.8082 8.2977 123.9517 61.6987 35.4369 173.1674 73 D 5.1968 9.0271 126.4516 52.4881 45.0893 174.4693 74 I 4.7511 8.1871 114.2994 59.6063 40.0692 176.0162 75 I 3.7365 8.1818 118.4710 63.1435 38.1094 176.2036 76 N 4.6571 7.9400 127.5588 50.0788 38.6530 174.6494 77 P 4.5944 0.0000 0.0000 62.6294 29.3911 176.2317 78 N 4.4281 7.7169 119.5877 54.2262 39.7312 175.5712 79 R 4.0616 8.5671 123.6619 58.0264 30.4322 177.6653 80 K 4.1138 9.2207 119.1244 57.2836 32.8879 177.0181 81 T 4.3323 7.9489 114.8701 66.0937 69.5579 176.2563 82 I 4.0809 7.1435 118.6065 61.8399 36.4267 176.1772 83 E 4.2501 7.4459 120.9852 58.1399 30.0071 177.4693 84 Q 4.0442 7.2819 118.2613 56.8892 29.4090 178.3629 85 L 3.8871 8.3140 118.8308 58.6327 42.4483 179.4727 86 M 3.9727 8.0821 116.3968 58.6883 32.1316 176.8283 87 T 5.1357 7.5682 103.0005 61.2078 71.6342 174.1993 88 L 4.4174 8.5892 125.2163 55.3585 42.0281 176.2281 89 D 4.3916 8.4535 118.6981 54.3951 41.0193 177.0312 90 L 5.1571 8.2667 128.9155 53.6100 42.5797 174.2567 91 P 4.7705 0.0000 0.0000 61.5653 33.2326 174.6039 92 T 4.3821 8.7060 116.4091 63.0085 68.7568 175.2858 93 G 4.2476 7.8067 108.1890 44.9999 0.0000 171.9626 94 V 4.4615 7.7716 118.2994 60.7384 34.4688 174.1124 95 E 4.8073 8.7048 128.4018 54.8786 32.1988 174.3144 96 I 5.2611 7.8951 115.0697 59.0896 40.7990 173.8175 97 E 4.8953 8.7272 122.1092 54.9066 33.5871 175.0085 98 I 5.1045 8.0798 121.6893 60.2052 41.2708 174.3908 99 K 4.6276 8.9508 125.4126 55.3679 37.4665 176.0366 100 T 4.7788 8.0085 113.2455 64.0176 70.7621 175.3134 *101 V 3.8961 7.8061 121.7273 60.8381 32.4044 176.5816 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 K 8.31 4.35 0.00 1.66 1.94 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.70 7.81 4 I 7.24 4.67 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 1.09 1.78 0.91 0.00 0.00 5 R 9.02 5.75 0.00 1.85 1.75 0.00 3.07 0.00 0.00 3.31 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 6 I 8.38 5.09 1.86 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 1.22 0.79 0.91 0.00 0.00 7 K 8.93 4.40 0.00 1.67 1.74 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.55 7.81 8 L 8.79 4.89 0.00 1.72 1.53 0.92 1.14 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 9 R 8.76 4.83 0.00 1.66 1.77 0.00 3.34 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 10 G 7.34 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 11 F 8.36 4.99 0.00 3.08 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 12 D 8.04 4.67 0.00 2.77 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 13 H 8.87 4.27 0.00 3.27 3.17 0.00 5.52 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.60 3.84 0.00 1.76 1.82 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 0.91 7.81 15 T 7.67 4.38 4.22 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 1.25 0.00 0.00 16 L 7.78 4.05 0.00 1.77 1.83 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.36 4.47 0.00 2.90 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 4.33 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 19 S 7.91 4.37 0.00 4.02 3.91 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 20 A 8.19 4.41 1.32 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 21 Q 7.95 3.98 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 22 K 7.67 3.89 0.00 2.14 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.62 7.81 23 I 7.60 4.10 1.87 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 1.52 0.71 0.91 0.00 0.00 24 V 7.73 3.76 2.23 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 1.03 0.00 0.00 0.94 0.00 0.00 25 E 8.28 4.07 0.00 2.06 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 2.46 0.00 26 A 8.33 4.60 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 27 A 8.26 4.63 1.32 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 28 R 7.59 4.05 0.00 1.89 2.00 0.00 3.12 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 29 R 7.78 4.51 0.00 1.88 2.01 0.00 3.02 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 1.49 1.60 0.00 30 S 8.07 4.37 0.00 3.88 4.02 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 31 G 8.77 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 0.00 0.00 0.00 0.00 32 A 8.15 4.37 1.23 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 0.00 0.00 33 Q 8.59 4.27 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 34 V 8.07 4.63 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 0.88 0.00 0.00 0.97 0.00 0.00 35 S 8.82 4.08 0.00 3.93 3.91 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 36 G 8.90 3.91 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 0.00 0.00 0.00 37 P 0.00 4.40 0.00 1.95 2.06 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 38 I 8.86 4.27 1.88 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 1.48 0.84 0.97 0.00 0.00 39 P 0.00 4.99 0.00 2.11 2.14 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 40 L 9.03 4.41 0.00 1.62 1.65 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.24 0.00 2.18 2.09 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 42 T 8.51 4.24 4.21 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 1.01 0.00 0.00 43 R 9.11 4.59 0.00 1.71 1.86 0.00 3.28 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 44 V 8.38 4.45 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 0.83 0.00 0.00 0.93 0.00 0.00 45 R 7.98 4.77 0.00 1.87 2.00 0.00 3.31 0.00 0.00 3.49 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 46 R 8.07 4.62 0.00 1.66 1.80 0.00 3.24 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 47 F 9.68 4.51 0.00 3.03 3.05 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 0.00 0.00 0.00 48 T 8.41 4.82 4.21 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 1.14 0.00 0.00 49 V 8.10 4.58 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 0.69 0.00 0.00 0.96 0.00 0.00 50 I 8.10 4.52 1.88 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 1.58 0.92 0.89 0.00 0.00 51 R 9.06 4.07 0.00 1.82 2.08 0.00 3.42 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 52 G 7.90 3.86 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 0.00 0.00 0.00 53 P 0.00 4.49 0.00 2.26 2.24 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 54 F 7.51 4.90 0.00 2.84 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.59 4.25 0.00 1.34 1.48 0.00 1.47 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.10 7.81 56 H 8.62 4.77 0.00 3.16 3.21 0.00 5.65 0.00 0.00 0.00 0.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.40 4.17 0.00 1.66 1.77 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.56 7.81 58 D 8.51 4.92 0.00 2.51 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 3.62 0.00 3.88 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 60 R 7.15 4.59 0.00 2.08 1.91 0.00 3.01 0.00 0.00 3.23 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 61 E 8.42 4.61 0.00 1.96 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 2.11 2.27 0.00 62 H 8.34 4.51 0.00 2.98 2.98 0.00 5.54 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 63 F 7.65 5.49 0.00 2.99 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 64 E 8.83 5.25 0.00 1.99 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 2.23 2.33 0.00 65 L 8.60 4.40 0.00 1.68 1.63 0.15 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.34 4.56 0.00 1.78 1.72 0.00 3.24 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 67 T 9.10 4.83 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 1.28 0.00 0.00 68 H 8.87 4.82 0.00 3.20 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.82 5.32 0.00 2.61 2.70 0.00 0.00 6.89 7.66 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 70 R 8.77 5.08 0.00 1.89 1.79 0.00 3.24 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 71 L 9.51 5.06 0.00 1.63 1.57 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.30 4.81 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 0.95 0.00 0.00 0.93 0.00 0.00 73 D 9.03 5.20 0.00 2.61 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 74 I 8.19 4.75 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 1.39 0.93 0.91 0.00 0.00 75 I 8.18 3.74 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 1.48 0.63 0.91 0.00 0.00 76 N 7.94 4.66 0.00 2.79 2.83 0.00 0.00 6.91 8.02 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 77 P 0.00 4.59 0.00 2.17 2.10 0.00 3.77 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 1.98 1.95 0.00 78 N 7.72 4.43 0.00 2.74 2.75 0.00 0.00 7.07 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 79 R 8.57 4.06 0.00 1.88 1.95 0.00 3.33 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 80 K 9.22 4.11 0.00 1.69 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.58 7.81 81 T 7.95 4.33 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 1.21 0.00 0.00 82 I 7.14 4.08 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 1.32 0.73 0.91 0.00 0.00 83 E 7.45 4.25 0.00 2.13 2.02 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 2.25 2.26 0.00 84 Q 7.28 4.04 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 85 L 8.31 3.89 0.00 1.83 1.75 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.08 3.97 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 87 T 7.57 5.14 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 88 L 8.59 4.42 0.00 1.58 1.68 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.45 4.39 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 5.16 0.00 1.52 1.56 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.77 0.00 2.36 2.01 0.00 3.84 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 92 T 8.71 4.38 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 93 G 7.81 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 0.00 0.00 0.00 0.00 94 V 7.77 4.46 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 0.84 0.00 0.00 0.90 0.00 0.00 95 E 8.70 4.81 0.00 2.06 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 2.24 0.00 96 I 7.90 5.26 1.90 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 1.34 2.03 0.94 0.00 0.00 97 E 8.73 4.90 0.00 1.86 1.83 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 2.26 2.23 0.00 98 I 8.08 5.10 1.87 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 1.34 0.35 0.96 0.00 0.00 99 K 8.95 4.63 0.00 1.60 1.66 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.54 7.81 100 T 8.01 4.78 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 1.23 0.00 0.00 *101 V 7.81 3.90 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.