NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0555 8.0244 114.2689 61.0627 38.8329 175.1165 4 R 4.1085 8.0756 121.3558 52.9621 31.7839 172.3036 5 P 4.2437 0.0000 0.0000 63.1147 33.1609 176.1910 6 L 4.4538 8.2805 125.8313 54.3449 41.3719 172.5556 7 H 4.1087 8.4828 122.7337 56.0259 30.3827 176.6157 8 D 4.5998 9.1553 120.9701 55.2856 42.4300 173.8732 9 R 4.6458 7.6947 117.7558 55.9441 31.6057 175.9081 10 V 4.7208 9.0432 121.4774 61.1852 35.5683 174.1715 11 I 5.1159 8.8844 126.6411 59.7319 40.5583 175.0551 12 V 5.0768 9.0609 119.3256 59.5986 36.9952 174.1197 13 K 4.7936 8.7805 121.4857 54.9064 34.3195 175.9122 14 R 4.6220 8.8390 125.9402 56.4418 30.8129 175.5374 15 K 4.5859 7.8367 124.0756 55.4635 35.2638 176.8583 16 E 3.4572 8.0104 120.1695 55.0485 27.6881 176.7259 17 V 3.8073 8.3417 123.7795 64.2260 32.5558 175.6733 18 E 3.6387 9.0054 126.2577 57.0389 27.5567 175.6958 19 T 4.0034 7.5657 115.2389 64.0211 68.8637 175.6597 20 K 4.2543 8.5536 126.1880 57.6891 32.5494 179.1612 21 S 4.2714 7.9685 113.5249 59.8177 63.4200 175.4348 22 A 4.1594 7.9503 122.8210 53.3756 17.8345 178.4580 23 G 3.8396 7.2718 105.2553 45.7370 0.0000 174.2704 24 G 4.1398 7.5440 110.4643 44.2558 0.0000 174.6617 25 I 4.1363 8.0004 120.3653 62.1299 39.2812 177.2936 26 V 3.5616 7.4741 119.8244 62.5781 31.8310 174.5733 27 L 4.5304 8.2795 128.8458 55.0798 41.5383 176.1443 28 T 4.0548 8.5437 121.5647 61.8253 68.0473 175.5492 29 G 4.1157 8.3304 116.1550 46.1993 0.0000 172.6396 30 S 4.8754 8.8324 116.4904 55.9102 66.1640 174.5859 31 A 4.4285 9.4996 127.7590 52.0152 19.8729 175.4860 32 A 3.4806 8.4357 117.4234 55.2938 15.0184 177.2411 33 A 4.9037 8.0011 123.1497 50.9235 22.7517 175.3249 34 K 4.3665 9.9288 114.7969 57.0599 34.0165 175.4043 35 S 5.5767 7.7791 118.7526 57.9299 65.5463 176.1067 36 T 3.5675 7.7581 116.8541 62.8131 70.0978 173.7653 37 R 4.7313 7.6034 122.7921 54.6203 32.1348 175.6553 38 G 4.5606 9.0468 109.9571 44.7447 0.0000 170.9039 39 E 4.9224 9.0778 123.6099 54.8458 31.3261 175.5249 40 V 3.9834 9.0118 128.2744 63.1955 32.0942 176.0992 41 L 4.4955 8.8400 127.8081 56.3555 43.2887 176.6549 42 A 4.6743 7.5103 117.4333 50.8598 22.5948 175.4106 43 V 4.6268 8.1900 118.7621 60.6477 34.7638 175.5144 44 G 3.9414 8.4300 113.9138 45.2741 0.0000 173.8237 45 N 4.6623 8.2726 117.3958 52.6024 35.4109 176.4352 46 G 3.5954 8.0413 112.6872 46.3644 0.0000 172.9687 47 R 4.7552 8.7520 124.1208 54.7903 32.4263 176.0576 48 I 4.2748 7.9159 131.0251 59.6721 35.7546 174.2809 49 L 4.6366 6.8687 119.9797 54.1333 46.6752 175.2158 50 E 3.4279 7.8309 116.4079 63.4395 27.2231 176.7542 51 N 3.6289 7.8440 115.5853 56.0811 40.9781 174.7293 52 G 3.7202 7.9606 110.5008 45.5682 0.0000 174.2981 53 E 3.7161 8.0639 125.7067 55.9553 28.7852 173.2122 54 V 4.4017 8.1547 118.3492 61.8787 32.9466 176.0756 55 K 4.7545 8.1403 125.7091 54.5736 35.3202 174.2558 56 P 4.9833 0.0000 0.0000 62.6813 32.7576 174.9265 57 L 4.7560 8.3024 119.2171 53.3854 43.8568 176.2263 58 D 4.7007 9.1572 118.7208 54.3088 41.7640 176.8557 59 V 4.2276 7.4690 111.2813 61.1957 33.1309 174.8073 60 K 4.6091 8.7283 119.3870 55.1493 35.5502 175.7471 61 V 3.6712 8.1112 119.8307 64.5686 31.7465 176.4414 62 G 3.9825 8.5209 115.0502 45.1531 0.0000 173.3294 63 D 4.6304 7.7474 119.4387 54.2887 42.5045 175.6453 64 I 4.8786 8.2511 120.8351 60.0768 38.9943 175.6215 65 V 4.5136 8.8649 121.2925 59.9662 34.5125 175.2009 66 I 4.7501 8.7984 124.3205 59.6732 39.0293 175.0021 67 F 5.3831 7.9366 121.5142 54.4900 41.5495 174.0126 68 N 4.4926 9.0079 119.0048 53.0623 39.1116 174.6872 69 D 5.0159 8.8967 127.3552 54.8836 41.8233 175.7011 70 G 4.5209 7.5393 109.1441 43.9019 0.0000 173.7992 71 Y 4.2500 9.0294 120.0343 60.4145 38.8803 179.0659 72 G 3.5659 8.1070 107.4964 47.8766 0.0000 173.6067 73 V 3.9347 7.8905 121.1029 62.3748 31.9578 176.0844 74 K 4.5643 9.0342 127.8128 55.0204 35.1285 174.8311 75 S 5.1866 8.1563 114.6632 57.4057 66.2276 172.4187 76 E 4.7687 8.6309 119.6180 55.0214 34.3676 174.3220 77 K 5.0491 8.6397 124.3282 54.7791 34.4921 175.3949 78 I 4.4954 8.3895 127.8215 60.9044 40.6980 175.1568 79 D 4.5061 9.8148 122.7164 55.0861 38.3355 174.2191 80 N 4.4693 8.3584 115.0120 53.6528 38.0536 174.1070 81 E 4.2974 8.0554 116.9953 56.6557 30.4353 175.2591 82 E 4.6758 8.5451 121.3220 56.0425 30.7660 176.2529 83 V 4.3326 8.9919 118.6218 59.6776 34.0297 174.7366 84 L 4.9942 8.8444 126.3299 53.1847 44.1768 175.7438 85 I 5.1063 8.6005 123.5076 59.8170 41.2456 174.5185 86 M 5.1631 8.6699 122.9653 54.0365 35.4311 173.8866 87 S 4.8928 9.0968 113.5935 57.0410 64.9257 175.1680 88 E 3.9087 8.9947 122.2084 59.5835 29.4369 179.1044 89 S 4.2578 8.1076 112.6954 60.4396 63.0483 174.2055 90 D 4.7988 8.2328 119.8085 54.0820 41.5632 175.9734 91 I 4.6173 7.7675 121.1432 60.3084 38.4286 175.1115 92 L 4.4514 8.7356 124.0747 55.8626 43.3877 176.5086 93 A 4.5270 7.1850 117.8479 52.0532 22.5730 176.9888 94 I 4.4393 7.8716 121.7597 62.2714 37.2608 177.3728 *95 V 3.9215 8.4795 127.2646 62.0240 32.1549 174.1041 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 I 8.02 4.06 1.86 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 1.29 1.11 0.90 0.00 0.00 4 R 8.08 4.11 0.00 1.81 1.82 0.00 3.29 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 5 P 0.00 4.24 0.00 2.37 2.14 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 6 L 8.28 4.45 0.00 1.60 1.60 0.96 1.04 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 7 H 8.48 4.11 0.00 3.79 3.46 0.00 5.82 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 8 D 9.16 4.60 0.00 2.93 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 9 R 7.69 4.65 0.00 1.74 1.77 0.00 3.22 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 10 V 9.04 4.72 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 0.97 0.00 0.00 0.92 0.00 0.00 11 I 8.88 5.12 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.91 0.00 0.00 12 V 9.06 5.08 2.22 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 0.78 0.00 0.00 0.80 0.00 0.00 13 K 8.78 4.79 0.00 1.81 1.93 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.37 7.81 14 R 8.84 4.62 0.00 2.05 1.96 0.00 3.26 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 15 K 7.84 4.59 0.00 1.62 1.67 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.57 7.81 16 E 8.01 3.46 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 2.29 2.28 0.00 17 V 8.34 3.81 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 0.86 0.00 0.00 0.95 0.00 0.00 18 E 9.01 3.64 0.00 2.14 1.90 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 2.26 2.31 0.00 19 T 7.57 4.00 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 1.21 0.00 0.00 20 K 8.55 4.25 0.00 1.86 1.84 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.30 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.65 7.81 21 S 7.97 4.27 0.00 4.00 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 22 A 7.95 4.16 1.37 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 0.00 0.00 0.00 23 G 7.27 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.54 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 25 I 8.00 4.14 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 1.30 0.65 0.91 0.00 0.00 26 V 7.47 3.56 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 0.96 0.00 0.00 0.93 0.00 0.00 27 L 8.28 4.53 0.00 1.70 1.61 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.54 4.05 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 1.22 0.00 0.00 29 G 8.33 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 30 S 8.83 4.88 0.00 3.82 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 31 A 9.50 4.43 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 32 A 8.44 3.48 1.39 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 33 A 8.00 4.90 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 34 K 9.93 4.37 0.00 1.83 1.91 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 35 S 7.78 5.58 0.00 3.95 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 36 T 7.76 3.57 3.96 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 1.12 0.00 0.00 37 R 7.60 4.73 0.00 1.77 1.82 0.00 2.95 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 38 G 9.05 4.56 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 0.00 0.00 0.00 39 E 9.08 4.92 0.00 2.08 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 2.28 2.27 0.00 40 V 9.01 3.98 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 0.89 0.00 0.00 1.00 0.00 0.00 41 L 8.84 4.50 0.00 1.65 1.68 0.94 0.95 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 42 A 7.51 4.67 1.19 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 0.00 0.00 0.00 43 V 8.19 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 0.83 0.00 0.00 0.93 0.00 0.00 44 G 8.43 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 45 N 8.27 4.66 0.00 2.64 2.82 0.00 0.00 6.87 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 46 G 8.04 3.60 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 0.00 0.00 0.00 47 R 8.75 4.76 0.00 1.81 1.77 0.00 3.10 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 48 I 7.92 4.27 1.44 0.00 0.00 0.75 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 0.32 0.83 0.00 0.00 49 L 6.87 4.64 0.00 1.58 1.53 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.83 3.43 0.00 2.22 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 2.26 2.34 0.00 51 N 7.84 3.63 0.00 2.77 3.11 0.00 0.00 7.23 7.98 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 52 G 7.96 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 53 E 8.06 3.72 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 2.20 2.33 0.00 54 V 8.15 4.40 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 0.89 0.00 0.00 0.89 0.00 0.00 55 K 8.14 4.75 0.00 1.89 1.89 0.00 1.47 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 56 P 0.00 4.98 0.00 2.10 2.12 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 57 L 8.30 4.76 0.00 1.64 1.75 0.93 1.03 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 58 D 9.16 4.70 0.00 2.59 2.66 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 59 V 7.47 4.23 2.10 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 0.82 0.00 0.00 0.94 0.00 0.00 60 K 8.73 4.61 0.00 1.86 1.86 0.00 1.34 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.52 7.81 61 V 8.11 3.67 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 0.98 0.00 0.00 62 G 8.52 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 63 D 7.75 4.63 0.00 2.66 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 64 I 8.25 4.88 1.88 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 1.36 0.62 0.95 0.00 0.00 65 V 8.86 4.51 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 0.75 0.00 0.00 1.18 0.00 0.00 66 I 8.80 4.75 1.92 0.00 0.00 0.82 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 0.57 0.79 0.00 0.00 67 F 7.94 5.38 0.00 3.03 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 68 N 9.01 4.49 0.00 2.83 2.88 0.00 0.00 7.14 7.99 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 69 D 8.90 5.02 0.00 2.69 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 70 G 7.54 4.52 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 71 Y 9.03 4.25 0.00 2.79 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 72 G 8.11 3.57 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 0.00 0.00 0.00 73 V 7.89 3.93 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 0.61 0.00 0.00 0.89 0.00 0.00 74 K 9.03 4.56 0.00 1.57 1.63 0.00 1.53 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 1.42 1.41 7.81 75 S 8.16 5.19 0.00 3.78 3.65 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 76 E 8.63 4.77 0.00 2.00 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 2.20 2.36 0.00 77 K 8.64 5.05 0.00 1.69 1.66 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.48 7.81 78 I 8.39 4.50 1.86 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 1.29 0.41 0.91 0.00 0.00 79 D 9.81 4.51 0.00 2.81 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 80 N 8.36 4.47 0.00 2.87 2.98 0.00 0.00 7.19 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 81 E 8.06 4.30 0.00 2.26 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 82 E 8.55 4.68 0.00 1.85 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 2.30 2.29 0.00 83 V 8.99 4.33 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 0.86 0.00 0.00 0.91 0.00 0.00 84 L 8.84 4.99 0.00 1.60 1.39 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.60 5.11 1.79 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 1.22 0.59 0.87 0.00 0.00 86 M 8.67 5.16 0.00 1.80 2.19 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 87 S 9.10 4.89 0.00 4.07 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 88 E 8.99 3.91 0.00 2.02 2.00 0.00 0.00 0.00 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 2.31 0.00 89 S 8.11 4.26 0.00 3.90 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 0.00 90 D 8.23 4.80 0.00 2.80 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 91 I 7.77 4.62 2.02 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 1.40 0.72 1.01 0.00 0.00 92 L 8.74 4.45 0.00 1.67 1.69 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.18 4.53 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 94 I 7.87 4.44 1.88 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 1.29 0.71 0.97 0.00 0.00 *95 V 8.48 3.92 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.