NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.2921 8.1827 119.4511 57.7116 40.4652 176.0049 *7 T 3.8793 7.8791 114.9373 61.1789 68.6375 172.3518 8 D 4.4148 7.8221 121.8234 51.8523 41.0837 174.8050 9 P 4.2136 0.0000 0.0000 65.8805 31.9962 177.4813 10 H 4.1620 8.3410 118.2114 58.7784 29.8728 175.9525 11 A 4.4731 7.5241 119.8484 52.7411 18.0706 178.4743 *13 R 4.4163 8.1303 120.2302 58.1574 32.1205 178.6765 14 D 4.5290 7.7429 114.4372 54.9375 40.6602 178.2646 *16 A 4.3650 8.2306 124.4244 52.3016 20.6892 180.1247 17 G 3.6638 8.3492 102.6403 48.0216 0.0000 175.9803 18 R 3.8534 8.0509 120.7316 59.1610 30.0640 179.2792 19 F 3.9973 8.3833 116.8869 60.2651 38.8211 177.1233 20 E 4.0048 8.5806 119.3172 59.2887 29.4528 179.0385 21 V 3.5444 7.8526 118.2073 66.3920 31.5722 177.4938 22 H 4.1485 8.3244 116.0097 58.9922 28.5281 177.5898 23 A 4.0119 8.3451 122.6903 55.3566 18.2596 179.7190 24 Q 3.9791 8.4503 116.8689 59.4035 28.7311 179.2749 25 T 3.9397 7.9702 116.9049 66.4271 68.4394 177.1766 26 V 3.6519 8.0256 120.3112 65.9864 31.5747 177.7892 27 E 3.8333 8.2756 118.3875 59.7652 29.3075 179.2656 28 D 4.3190 8.1888 118.6596 57.1966 40.5976 178.7418 29 E 3.9243 7.9476 118.3820 59.1382 29.5532 178.7184 30 A 2.8354 7.8965 120.2038 54.7932 18.6441 179.3952 31 R 4.0122 7.9456 117.1651 59.3112 30.0610 178.9576 32 R 4.2808 7.7774 116.0184 56.3860 29.8735 178.4291 *34 W 4.6746 8.0075 128.7319 57.4755 32.7708 176.7854 35 A 3.9614 8.2070 119.2829 55.5903 17.5588 179.7138 36 S 4.0492 7.8790 111.6659 61.6044 63.0453 176.5360 37 A 4.0498 7.8175 122.7962 55.3466 17.9618 179.4819 38 Q 3.6303 7.5390 115.2730 56.7931 29.9769 175.3802 39 N 4.0673 8.2299 119.4792 53.7643 36.8522 172.5860 40 I 4.6924 7.3056 120.4475 59.0619 41.2929 174.0326 41 S 4.0937 7.8227 115.6956 59.7383 63.6885 173.8823 *46 S 4.0888 7.8604 116.4728 57.1751 63.2565 173.5851 47 G 3.9678 8.4038 115.7192 43.7887 0.0000 172.6202 *49 A 4.0882 8.0609 121.4874 52.0622 19.0032 176.7286 50 E 4.4108 7.7785 117.5828 55.5802 31.3787 178.4646 51 A 4.3708 7.4157 121.3844 51.9364 20.2465 177.0293 52 T 4.0636 7.6753 111.7985 63.6437 67.9605 175.3000 53 S 4.2294 8.5823 119.7855 58.2229 63.3670 174.7904 54 L 4.2761 8.4809 125.6047 57.8577 42.5086 177.7460 55 D 4.5379 8.0700 118.6712 57.0001 41.3347 178.5119 56 T 3.9097 7.1616 107.7971 61.7254 68.2762 175.2594 *58 A 4.4556 8.1828 126.5945 53.5438 20.4744 180.0397 59 Q 4.0305 7.8901 110.7090 57.4429 28.8611 177.9330 *61 N 4.8638 8.1772 118.9975 53.8180 40.8794 176.3293 62 Q 3.9860 8.4431 118.4589 59.0241 29.0926 177.9319 63 A 3.9253 8.3688 122.2299 55.1550 18.4095 179.5000 64 F 4.2291 8.0371 115.7716 60.8759 39.0046 177.7174 65 R 3.9544 8.2980 118.1840 59.3896 29.6317 178.0762 66 N 4.3038 8.2348 115.5303 56.5446 38.6987 176.8085 67 I 3.8670 7.6023 119.4915 64.6181 37.5829 178.3021 68 V 3.7728 7.9890 118.7215 65.9464 31.3151 178.5684 69 N 4.5491 8.1767 113.2044 53.9909 38.3442 176.8067 *71 L 4.4681 7.8725 122.5049 55.3213 43.8462 179.0248 72 H 4.4774 8.7794 116.1055 58.7999 28.4803 178.1732 73 G 3.5590 8.6487 108.1356 47.6513 0.0000 176.0498 74 V 3.3888 7.6047 120.2455 65.5078 31.5312 177.5567 75 R 3.8617 7.7368 118.1029 59.8547 29.8200 177.8749 76 D 4.4789 8.4542 118.7098 57.5645 40.8010 179.4366 77 G 3.5286 8.0787 105.9513 47.5997 0.0000 175.7557 78 L 3.9509 7.9487 121.5321 57.6107 41.6802 179.7707 79 V 3.5696 7.9081 118.1399 66.0857 31.3678 178.0679 80 R 3.9269 8.2757 118.5846 59.3129 29.8708 178.2897 81 D 4.3316 8.3397 118.7966 57.1885 40.7718 178.2872 82 A 4.0182 8.1623 121.3791 55.5346 18.3932 179.2557 83 N 4.2778 8.2744 114.6580 56.7961 38.6710 177.4490 84 N 4.3647 8.5262 118.0890 56.4376 38.5352 176.9191 85 Y 3.9602 8.5137 121.4570 60.5098 38.8763 177.8925 86 E 3.9542 8.6764 119.9152 59.4830 29.6616 178.7687 87 Q 3.9606 8.1373 119.6014 59.6336 28.9407 178.8342 88 Q 3.9254 7.9399 118.6354 58.4737 28.8020 177.8810 89 E 3.6729 7.9904 120.6769 59.4829 29.7425 178.7731 90 Q 3.9600 8.4493 117.9879 59.2091 28.8597 179.1814 91 A 4.0279 8.1201 121.4439 54.7715 18.0928 179.7974 92 S 3.9590 7.8792 111.6585 61.6044 62.9876 175.9593 93 Q 4.0961 8.0444 120.4323 59.2218 28.0656 178.3342 94 Q 3.8924 7.9109 120.8385 59.2684 28.9938 178.3203 95 I 3.7144 7.3919 119.0881 63.5012 37.1607 177.0788 96 L 4.7303 7.2205 118.5831 53.9265 43.0968 176.3070 97 S 4.2494 8.1066 119.5717 58.8729 62.2871 173.6800 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 5 F 8.18 4.29 0.00 3.03 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 *7 T 7.88 3.88 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 1.13 0.00 0.00 8 D 7.82 4.41 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.24 2.20 0.00 3.63 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 10 H 8.34 4.16 0.00 3.15 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.52 4.47 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.42 0.00 1.88 2.01 0.00 3.16 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 14 D 7.74 4.53 0.00 3.00 2.70 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 0.00 0.00 0.00 *16 A 8.23 4.36 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 17 G 8.35 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 18 R 8.05 3.85 0.00 1.90 1.83 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 19 F 8.38 4.00 0.00 3.08 3.18 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 0.00 0.00 0.00 0.00 20 E 8.58 4.00 0.00 2.14 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 2.34 2.40 0.00 21 V 7.85 3.54 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 0.89 0.00 0.00 0.94 0.00 0.00 22 H 8.32 4.15 0.00 3.30 3.27 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.35 4.01 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 24 Q 8.45 3.98 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 25 T 7.97 3.94 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 1.22 0.00 0.00 26 V 8.03 3.65 2.14 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 1.26 0.00 0.00 1.02 0.00 0.00 27 E 8.28 3.83 0.00 2.18 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 2.32 2.52 0.00 28 D 8.19 4.32 0.00 2.68 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 29 E 7.95 3.92 0.00 2.07 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 0.00 2.35 2.52 0.00 30 A 7.90 2.84 0.26 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 0.00 0.00 31 R 7.95 4.01 0.00 1.80 1.95 0.00 3.08 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 32 R 7.78 4.28 0.00 2.01 1.93 0.00 3.38 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 *34 W 8.01 4.67 0.00 3.43 3.28 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 0.00 35 A 8.21 3.96 1.45 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 36 S 7.88 4.05 0.00 4.03 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 37 A 7.82 4.05 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 38 Q 7.54 3.63 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.41 0.00 0.00 0.00 0.00 0.00 1.34 1.87 0.00 39 N 8.23 4.07 0.00 2.87 2.77 0.00 0.00 7.02 7.87 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 40 I 7.31 4.69 1.86 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 1.43 0.72 0.90 0.00 0.00 41 S 7.82 4.09 0.00 3.97 3.80 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 *46 S 7.86 4.09 0.00 3.87 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 47 G 8.40 3.97 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 0.00 0.00 0.00 *49 A 8.06 4.09 1.26 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 0.00 0.00 50 E 7.78 4.41 0.00 1.94 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 2.22 2.27 0.00 51 A 7.42 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 52 T 7.68 4.06 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 1.18 0.00 0.00 53 S 8.58 4.23 0.00 3.89 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 54 L 8.48 4.28 0.00 1.64 1.68 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.07 4.54 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.16 3.91 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 1.21 0.00 0.00 *58 A 8.18 4.46 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 59 Q 7.89 4.03 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.33 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 *61 N 8.18 4.86 0.00 2.94 3.11 0.00 0.00 6.75 7.17 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 62 Q 8.44 3.99 0.00 2.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 63 A 8.37 3.93 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 64 F 8.04 4.23 0.00 3.28 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 65 R 8.30 3.95 0.00 2.14 1.97 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 66 N 8.23 4.30 0.00 2.89 2.88 0.00 0.00 7.08 8.01 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 67 I 7.60 3.87 2.10 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.57 0.97 0.00 0.00 68 V 7.99 3.77 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 0.83 0.00 0.00 1.01 0.00 0.00 69 N 8.18 4.55 0.00 2.92 2.84 0.00 0.00 7.03 6.81 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 *71 L 7.87 4.47 0.00 1.90 1.89 0.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.78 4.48 0.00 3.28 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.65 3.56 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 74 V 7.60 3.39 1.65 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 -0.27 0.00 0.00 0.72 0.00 0.00 75 R 7.74 3.86 0.00 2.06 2.21 0.00 3.20 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 76 D 8.45 4.48 0.00 2.85 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 77 G 8.08 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.95 3.95 0.00 1.82 1.72 0.80 0.67 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 79 V 7.91 3.57 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 1.00 0.00 0.00 1.00 0.00 0.00 80 R 8.28 3.93 0.00 1.96 2.15 0.00 3.34 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 81 D 8.34 4.33 0.00 2.98 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 82 A 8.16 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.28 0.00 2.93 2.91 0.00 0.00 7.13 6.53 0.00 0.00 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 N 8.53 4.36 0.00 2.94 2.89 0.00 0.00 6.68 7.08 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 85 Y 8.51 3.96 0.00 3.07 3.07 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 0.00 0.00 0.00 0.00 86 E 8.68 3.95 0.00 2.21 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 2.43 2.47 0.00 87 Q 8.14 3.96 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 88 Q 7.94 3.93 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 89 E 7.99 3.67 0.00 1.62 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 2.32 2.35 0.00 90 Q 8.45 3.96 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 91 A 8.12 4.03 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 92 S 7.88 3.96 0.00 3.95 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 93 Q 8.04 4.10 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 94 Q 7.91 3.89 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 95 I 7.39 3.71 1.98 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 1.51 0.85 0.90 0.00 0.00 96 L 7.22 4.73 0.00 1.71 1.64 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.11 4.25 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.