NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3520 0.0000 0.0000 62.6735 32.6534 174.8440 2 Q 4.3389 8.4219 119.9026 53.9046 30.3301 173.0566 3 I 4.4652 8.0771 126.0886 59.6128 40.2083 175.1586 4 T 4.3329 8.3959 115.4024 61.2053 69.9385 174.1096 5 L 4.6708 7.7026 120.3024 54.4861 42.1833 178.3292 6 W 4.2613 8.3120 123.8034 59.2409 29.2763 176.7935 7 K 4.8171 7.7164 117.3082 51.7664 35.1129 179.5425 8 R 4.1015 8.4298 116.3893 57.4814 30.5757 176.3626 9 P 4.6544 0.0000 0.0000 61.8620 30.2413 173.6705 10 L 4.9970 7.8251 125.7780 54.6702 43.5268 176.2420 11 V 4.6201 9.1531 115.8992 59.8918 36.6656 174.4821 12 T 4.9506 8.3745 118.7697 62.8867 70.0287 174.1135 13 I 4.8576 9.2304 119.2477 58.9157 41.8065 173.9835 14 K 4.9594 8.8641 124.8389 54.7591 34.5549 174.6861 15 I 4.6645 8.3779 127.4057 59.9125 41.5913 175.1473 16 G 3.9337 9.9811 116.2447 46.4153 0.0000 174.4861 17 G 3.9330 8.5053 107.5471 44.8518 0.0000 174.1082 18 Q 4.5839 8.0493 119.0651 54.3425 30.7715 174.2445 19 L 5.2005 8.0665 119.6178 53.7566 43.5360 176.0506 20 K 4.6756 8.9025 120.4696 55.3390 37.2361 174.7126 21 E 5.0467 8.6764 121.0976 55.4454 31.0096 175.5610 22 A 4.8590 9.1792 124.2279 50.2910 23.5442 174.3824 23 L 4.8683 8.7104 122.1763 53.5285 44.1246 175.6108 24 L 4.5407 8.6737 127.2913 54.4029 42.4652 176.1749 25 D 4.8876 9.0004 125.4723 52.4652 42.9777 176.5094 26 T 4.1591 8.7985 116.4527 63.0561 69.2716 175.5948 27 G 3.7202 8.4685 110.7311 46.4199 0.0000 173.5953 28 A 4.4057 7.6255 122.8167 51.2188 19.5175 178.3113 29 D 4.3460 8.8868 122.2682 56.5941 41.9276 176.0815 30 D 4.9478 8.0461 116.3878 52.7326 45.0693 175.2323 31 T 4.8790 7.9926 116.2561 62.3040 70.5579 174.3073 32 V 4.9545 8.7683 125.9471 61.1599 34.8264 174.2236 33 I 5.1213 8.7709 128.4862 58.8698 40.6875 175.0603 34 E 4.5784 9.4501 123.5977 55.6990 30.5580 176.5943 35 E 4.0320 8.6648 120.0849 57.7002 30.3866 176.3434 36 M 4.5277 8.2197 119.4742 54.4329 33.7392 173.6551 37 S 4.4517 8.3904 114.4823 57.2845 63.3177 173.2251 38 L 4.6805 7.9674 126.6915 52.0524 44.8801 174.3339 39 P 4.5937 0.0000 0.0000 62.7774 32.6087 174.9518 40 G 3.9533 8.9182 107.8700 45.2111 0.0000 174.1715 *41 R 4.3465 8.2211 117.2117 55.2362 30.2629 174.1387 42 W 5.3207 7.3806 115.3412 54.6889 31.8743 174.2006 43 K 4.7631 8.6641 118.3346 54.2497 35.2093 174.1048 44 P 5.1593 0.0000 0.0000 63.1496 32.4138 175.0573 45 K 4.7649 9.0423 121.7544 55.5502 36.5628 174.2104 46 M 5.3960 8.7056 122.6096 53.3986 34.5922 175.3293 47 I 4.6560 8.8985 116.8704 59.0426 40.8783 174.7667 48 G 3.0119 8.2110 111.5022 44.9888 0.0000 173.6700 49 G 3.9876 8.1170 109.8193 44.5256 0.0000 171.5625 50 I 3.9685 8.1236 121.0829 62.4009 37.5929 176.1551 51 G 3.9844 8.6102 113.6061 44.2701 0.0000 171.9751 52 G 3.9100 7.0180 104.2350 44.1905 0.0000 172.6040 53 F 5.3673 8.8828 118.9208 55.7636 42.0256 175.2612 54 I 4.7721 8.6430 113.5326 59.0742 41.2020 173.9801 55 K 4.9047 8.6511 125.2051 55.8817 33.2309 175.9379 56 V 4.6871 8.8717 119.5479 59.7591 36.7555 174.2319 57 R 4.9000 8.9844 121.1655 54.6217 32.3792 175.3884 58 Q 4.8455 9.1763 126.1746 55.3942 30.4554 173.6771 59 Y 4.9785 9.5712 125.1487 56.5304 40.4518 175.0777 60 D 5.1235 8.8489 122.7331 52.3830 43.8114 175.6702 61 Q 3.4646 8.2959 115.8315 57.5311 26.2658 173.7744 62 I 4.5777 8.0478 118.1794 59.7901 40.5473 176.3441 63 I 4.9132 8.2208 125.6534 60.0498 38.6268 175.2016 64 I 4.8359 8.7585 126.9939 59.4949 41.5782 174.3385 65 E 4.9636 8.8916 124.7025 55.0165 31.6617 175.3568 66 I 4.3668 9.2585 128.1603 59.4353 38.6620 176.1364 67 C 3.9262 8.9390 128.4935 60.8832 25.7824 174.9654 68 G 3.9125 8.2058 104.3213 46.1408 0.0000 172.8614 69 H 4.7501 8.1651 118.0282 53.7721 30.3982 173.8862 70 K 4.8397 8.4777 125.1506 56.0598 33.0918 175.5312 71 A 4.8286 8.9268 127.1625 50.6626 23.1078 174.6818 72 I 4.8946 8.7594 118.7549 58.8403 41.5822 175.7032 73 G 3.9442 7.8675 113.3649 46.3234 0.0000 171.1749 74 T 4.7741 8.2565 116.1916 63.3208 69.5578 174.7704 75 V 4.4949 8.9032 125.0772 61.1137 35.0505 173.8952 76 L 5.1777 8.7802 127.4906 53.1119 44.1779 175.4189 77 V 4.7329 8.5122 123.9709 61.5996 33.7839 174.9209 78 G 3.9788 8.2923 113.9772 44.8311 0.0000 170.9061 79 P 4.8062 0.0000 0.0000 62.0076 30.1794 175.9081 80 T 4.3962 7.2638 112.9018 60.6693 68.9591 172.7589 81 P 4.4367 0.0000 0.0000 65.1192 31.7094 176.7046 82 V 4.4906 7.2295 116.6926 59.7503 34.4606 173.8794 83 N 4.7387 8.6825 119.5483 53.3713 39.8010 173.9116 84 I 4.8705 9.1913 124.7458 59.5133 40.8233 174.5394 85 I 4.4292 8.9146 128.5723 60.1900 38.7841 175.8585 86 G 4.4818 8.2031 115.1617 43.7253 0.0000 173.9536 87 R 4.0815 8.8244 118.5065 59.1723 30.1970 179.0480 88 N 4.3376 7.7200 114.1396 55.2857 36.9449 176.1564 89 L 4.5569 7.7116 116.9826 55.4754 43.2770 178.5328 90 L 4.1114 7.8189 119.4552 57.6697 41.3713 179.5064 91 T 3.8801 8.0135 110.0174 65.0213 68.5059 176.6714 92 Q 4.0145 7.6560 118.7784 57.7424 28.7558 177.8171 93 I 4.3070 7.6530 111.3971 60.1269 38.1965 175.9551 94 G 3.8320 8.0928 108.7374 46.4970 0.0000 173.3459 95 C 4.2980 8.0044 120.0306 58.9048 32.0336 172.8597 96 T 4.6914 8.1221 115.2808 59.7431 71.6843 172.4499 97 L 4.6461 8.3808 123.6123 53.3361 43.4091 175.2272 98 N 5.0597 8.6851 123.0879 51.4020 41.6818 174.3384 99 F 4.5218 8.1545 116.4450 57.3116 37.7197 173.9990 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 1 P 0.00 4.35 0.00 2.20 2.15 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 2 Q 8.42 4.34 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 3 I 8.08 4.47 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 0.78 0.92 0.00 0.00 4 T 8.40 4.33 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 1.31 0.00 0.00 5 L 7.70 4.67 0.00 1.40 1.57 0.82 0.88 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 6 W 8.31 4.26 0.00 3.29 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 7 K 7.72 4.82 0.00 1.72 1.54 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.98 7.81 8 R 8.43 4.10 0.00 1.80 1.91 0.00 3.17 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 P 0.00 4.65 0.00 2.10 2.20 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.97 0.00 10 L 7.83 5.00 0.00 1.55 1.63 0.93 0.96 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 11 V 9.15 4.62 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 0.70 0.00 0.00 0.93 0.00 0.00 12 T 8.37 4.95 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 13 I 9.23 4.86 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 1.23 0.70 0.91 0.00 0.00 14 K 8.86 4.96 0.00 1.91 1.67 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.21 7.81 15 I 8.38 4.66 1.85 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 1.09 1.43 0.88 0.00 0.00 16 G 9.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.58 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 19 L 8.07 5.20 0.00 1.51 1.57 0.92 0.82 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 20 K 8.90 4.68 0.00 1.64 1.62 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.40 7.81 21 E 8.68 5.05 0.00 1.84 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 0.00 2.25 2.30 0.00 22 A 9.18 4.86 1.16 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 23 L 8.71 4.87 0.00 1.76 1.63 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.67 4.54 0.00 1.56 1.61 0.91 1.12 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 25 D 9.00 4.89 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.80 4.16 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 27 G 8.47 3.72 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 0.00 0.00 0.00 28 A 7.63 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 29 D 8.89 4.35 0.00 2.65 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 30 D 8.05 4.95 0.00 2.57 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 0.00 0.00 0.00 0.00 31 T 7.99 4.88 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 1.25 0.00 0.00 32 V 8.77 4.95 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 0.97 0.00 0.00 0.92 0.00 0.00 33 I 8.77 5.12 1.85 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 1.27 1.15 0.91 0.00 0.00 34 E 9.45 4.58 0.00 1.90 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 2.32 2.12 0.00 35 E 8.66 4.03 0.00 1.88 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 2.37 2.26 0.00 36 M 8.22 4.53 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 37 S 8.39 4.45 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.68 0.00 0.27 0.80 0.46 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.59 0.00 2.22 2.06 0.00 3.63 0.00 0.00 3.60 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 40 G 8.92 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 0.00 0.00 0.00 *41 R 8.22 4.35 0.00 1.84 1.72 0.00 3.21 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 42 W 7.38 5.32 0.00 2.78 1.74 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 43 K 8.66 4.76 0.00 1.77 1.81 0.00 1.29 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 44 P 0.00 5.16 0.00 2.22 2.39 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 45 K 9.04 4.76 0.00 1.88 1.68 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.47 7.81 46 M 8.71 5.40 0.00 2.07 2.01 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 2.47 2.47 0.00 47 I 8.90 4.66 1.84 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 0.68 0.94 0.00 0.00 48 G 8.21 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.12 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 50 I 8.12 3.97 1.84 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 1.31 0.82 0.89 0.00 0.00 51 G 8.61 3.98 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 0.00 0.00 0.00 52 G 7.02 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 0.00 0.00 0.00 53 F 8.88 5.37 0.00 2.85 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 54 I 8.64 4.77 1.89 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 1.11 0.96 0.93 0.00 0.00 55 K 8.65 4.90 0.00 1.82 1.76 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.50 7.81 56 V 8.87 4.69 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 0.78 0.00 0.00 1.02 0.00 0.00 57 R 8.98 4.90 0.00 1.37 0.88 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.04 0.00 58 Q 9.18 4.85 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 59 Y 9.57 4.98 0.00 2.97 2.89 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 60 D 8.85 5.12 0.00 2.60 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 61 Q 8.30 3.46 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 62 I 8.05 4.58 1.98 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 1.31 1.19 0.89 0.00 0.00 63 I 8.22 4.91 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 1.35 0.55 0.91 0.00 0.00 64 I 8.76 4.84 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 1.22 0.74 0.93 0.00 0.00 65 E 8.89 4.96 0.00 1.92 1.87 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 2.23 2.25 0.00 66 I 9.26 4.37 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 1.23 0.79 0.90 0.00 0.00 67 C 8.94 3.93 0.00 3.07 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 68 G 8.21 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 69 H 8.17 4.75 0.00 3.39 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.48 4.84 0.00 2.03 1.70 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.01 7.81 71 A 8.93 4.83 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 72 I 8.76 4.89 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.92 0.00 0.00 73 G 7.87 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 0.00 0.00 0.00 74 T 8.26 4.77 4.28 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 0.00 0.00 0.00 1.35 0.00 0.00 75 V 8.90 4.49 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 0.99 0.00 0.00 0.95 0.00 0.00 76 L 8.78 5.18 0.00 1.76 1.57 0.95 0.48 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 77 V 8.51 4.73 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 0.91 0.00 0.00 0.92 0.00 0.00 78 G 8.29 3.98 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 0.00 0.00 0.00 79 P 0.00 4.81 0.00 2.18 2.10 0.00 3.80 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 1.98 1.94 0.00 80 T 7.26 4.40 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 1.24 0.00 0.00 81 P 0.00 4.44 0.00 2.21 2.16 0.00 3.79 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 1.97 1.94 0.00 82 V 7.23 4.49 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 0.68 0.00 0.00 0.92 0.00 0.00 83 N 8.68 4.74 0.00 2.82 2.77 0.00 0.00 6.76 7.21 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 84 I 9.19 4.87 1.86 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 1.21 0.83 0.90 0.00 0.00 85 I 8.91 4.43 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 1.15 0.92 0.91 0.00 0.00 86 G 8.20 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.82 4.08 0.00 1.87 2.01 0.00 3.15 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 88 N 7.72 4.34 0.00 2.85 3.13 0.00 0.00 6.89 7.45 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 89 L 7.71 4.56 0.00 1.69 1.72 0.93 0.69 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 90 L 7.82 4.11 0.00 1.71 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.01 3.88 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 1.24 0.00 0.00 92 Q 7.66 4.01 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 93 I 7.65 4.31 1.82 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 1.76 0.59 0.92 0.00 0.00 94 G 8.09 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 0.00 0.00 0.00 95 C 8.00 4.30 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.69 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 97 L 8.38 4.65 0.00 1.63 1.70 0.94 0.93 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 98 N 8.69 5.06 0.00 2.70 2.66 0.00 0.00 6.93 7.45 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 99 F 8.15 4.52 0.00 3.04 2.87 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 * Residues marked with a * may have inaccurate shift predictions.