NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5409 8.1927 115.3203 57.6612 63.6298 172.7233 3 Q 3.8581 8.9629 128.6730 56.9786 29.2600 175.9402 4 F 4.3135 10.3469 124.9750 57.9893 38.8381 174.3751 5 T 4.3088 8.0363 118.9128 63.3969 69.5621 173.1075 6 L 4.9736 8.3765 127.8796 53.8372 44.2668 174.7163 7 Y 4.8185 8.2028 122.7600 55.6761 41.7311 174.6898 8 K 4.3179 8.7473 125.5324 56.0752 33.2110 175.9700 9 N 4.9385 8.6882 127.0529 53.3946 38.7640 174.9373 10 K 4.1364 8.9824 125.5138 57.1343 32.8600 176.7631 11 D 4.5750 8.6825 123.2111 53.3032 40.7266 177.1274 *12 K 3.8218 8.8958 129.3267 57.9467 31.7342 174.7436 13 S 4.2603 8.0637 113.4755 61.1831 62.4653 175.3209 14 S 4.5529 7.9425 111.6090 58.1554 63.3719 175.5232 15 A 4.2059 8.0263 127.9642 55.6698 18.5426 181.0179 16 K 4.0179 8.1457 117.1177 57.8957 31.9001 182.9752 17 T 4.2043 7.6122 108.9552 62.4562 70.0168 173.5003 18 Y 5.8633 7.1978 119.3689 54.3871 38.0527 173.8429 19 P 4.2622 0.0000 0.0000 64.5002 33.0897 176.0902 20 Y 5.3467 7.7365 112.9823 56.1394 42.8094 174.5838 21 F 5.5486 8.5498 115.1368 55.2849 42.0405 173.6314 22 V 4.9861 8.9323 120.7523 60.0146 33.8933 174.3158 23 D 4.8179 9.2571 124.9567 54.3528 41.9397 176.4915 24 V 4.2869 8.5231 117.9629 60.9757 32.9389 175.7382 25 Q 4.1081 8.2084 122.7758 54.9037 29.8318 175.5843 26 S 4.0955 8.5049 118.9535 58.5853 62.9749 174.9474 27 D 4.3828 8.7046 126.7544 57.2386 40.8332 178.5060 28 L 4.0683 7.6761 118.0454 56.9841 41.8852 177.7680 29 L 4.6747 7.8860 118.6180 54.4779 41.7612 177.5092 30 D 4.6004 7.7610 118.0312 54.4872 39.5441 176.6975 31 N 4.5490 7.9587 116.6882 54.0200 37.9977 175.4863 32 L 4.0706 7.6698 120.1764 55.3523 42.2918 176.3453 33 N 4.9139 8.7070 118.9444 53.1431 38.5382 174.0314 34 T 5.1483 7.7319 108.6384 60.2773 72.3116 173.3301 35 R 4.7427 8.7864 120.3070 54.3813 34.7737 174.1929 36 L 4.7232 8.5726 125.5115 54.4696 43.4042 175.8797 37 V 5.1058 8.7883 118.8537 59.6357 36.5312 174.4498 38 I 4.8807 8.5439 122.4336 58.9469 40.4318 173.7174 39 P 4.9028 0.0000 0.0000 62.5332 32.9531 175.0675 40 L 5.2526 9.2497 123.4001 53.5374 44.0660 175.4090 41 T 5.3900 8.9991 117.4515 58.5767 70.9039 171.5415 42 P 4.6117 0.0000 0.0000 62.3545 31.9977 177.6883 43 I 3.7413 8.0927 126.7002 64.9139 37.7827 178.3025 44 E 4.0574 8.4201 118.8233 59.5635 29.5703 183.9582 45 L 4.3210 7.6019 117.7132 55.6763 41.5793 180.2499 46 L 4.2547 7.4127 123.7040 55.8234 42.1247 177.5283 *49 K 4.0054 8.4947 124.9307 54.9769 32.7206 172.3154 50 A 4.2678 8.3401 127.7670 50.3612 18.9348 176.4162 51 P 4.1552 0.0000 0.0000 64.5853 31.5640 177.0938 52 S 4.5620 7.7456 119.5381 59.0328 61.7744 169.9437 53 H 4.1036 7.5232 118.2888 57.8375 30.1342 176.9527 54 L 4.3757 7.6536 119.9781 56.8852 42.5144 175.9581 55 C 5.2682 7.3982 115.5192 55.6703 28.0694 171.9547 56 P 4.3791 0.0000 0.0000 62.7957 32.7450 174.7079 57 T 4.7712 8.3604 117.5519 60.9756 68.7786 173.7160 58 I 3.9891 8.6273 130.2695 59.9771 39.2426 174.3916 59 H 5.3384 8.8842 125.6063 54.2837 29.9534 174.5497 60 I 4.7580 8.9195 118.9543 59.4743 40.9079 176.3693 61 D 4.6384 8.7582 118.5441 56.3027 39.4287 175.1454 62 E 4.3003 8.0451 115.2108 56.7148 30.4431 175.3261 63 G 3.6401 7.6305 105.4109 44.0010 0.0000 171.5085 64 D 5.2180 8.1586 120.1998 52.6568 43.3249 175.7743 65 F 5.3938 9.2102 121.5180 55.7449 44.2673 173.6777 66 I 4.9212 8.9186 120.3906 59.8308 40.4125 174.7725 67 M 4.6592 8.7098 127.5203 54.4925 33.0584 175.7327 68 L 4.6518 8.5982 129.3885 53.2962 40.5331 177.5326 69 T 3.8958 8.2433 119.7935 66.6340 68.8912 176.4369 70 Q 4.0987 8.1144 116.7737 58.1815 28.7546 176.5503 71 Q 4.4255 7.9459 117.2553 55.6235 28.9679 175.0034 72 M 4.1586 7.4934 118.3715 57.0998 32.6384 175.5013 73 T 4.5799 8.5668 117.6176 61.0957 71.5995 172.1263 74 S 4.9547 8.5376 121.5007 57.8863 64.4137 173.6104 75 V 4.5112 8.5721 115.6755 58.4460 36.1250 173.4924 76 P 4.6428 0.0000 0.0000 62.6804 31.9016 178.3889 77 V 3.6805 8.5160 122.8149 64.2526 30.9830 178.8611 78 K 4.0262 7.9605 119.0764 59.6443 32.4730 178.1534 79 I 4.0799 7.4149 111.4643 61.6839 37.4666 175.6447 80 L 4.4850 7.7962 121.4546 55.1869 41.7035 179.0422 81 S 4.0163 8.2945 115.7945 60.5227 63.5644 173.8317 82 E 4.6868 7.7843 121.8869 53.1570 28.9972 172.1491 83 P 4.1312 0.0000 0.0000 62.4757 32.2848 177.6118 84 V 4.2398 7.9990 114.0450 61.4463 34.0951 174.4012 85 N 4.6211 7.2532 116.0313 53.0843 41.4110 172.0751 86 E 5.0897 8.3163 114.9268 55.1228 32.5398 174.5268 87 L 5.0135 8.9931 119.7805 54.5340 43.0395 179.0011 88 S 3.8176 8.8119 117.6840 61.7840 62.6947 176.1177 89 T 3.9355 7.7756 107.3913 62.5030 68.6599 174.9309 90 F 4.7109 8.5390 122.9071 56.4795 39.1357 176.9564 91 R 2.9892 7.3715 120.5668 59.6571 29.6587 177.8504 92 N 4.3058 7.9925 115.0996 56.5568 38.2133 177.0674 93 E 4.0011 8.1994 119.2757 59.3991 29.4882 179.5179 94 I 3.8373 7.9851 119.7590 64.5602 37.3812 178.3484 95 I 3.7783 8.1561 120.7237 64.5053 36.8378 178.4060 96 A 4.0652 8.3666 121.3942 55.0726 18.2385 179.5374 97 A 4.2831 8.0900 120.6826 54.8198 18.3243 179.8735 98 I 3.7017 8.0742 118.4034 64.7480 37.1473 178.2805 99 D 4.4102 8.3285 119.6712 57.4189 40.3321 178.5916 100 F 4.0167 8.4839 121.2602 61.3538 39.0959 176.9800 101 L 3.8999 7.9694 118.8510 57.3604 41.9164 177.9755 102 I 4.2476 7.2359 118.2749 62.5795 38.3876 176.6819 103 T 4.2651 8.2724 107.0983 60.9404 69.0196 174.8988 104 G 3.8202 7.3167 116.8127 46.1408 0.0000 173.6735 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 2 S 8.19 4.54 0.00 3.96 3.88 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 0.00 0.00 0.00 3 Q 8.96 3.86 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.69 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 4 F 10.35 4.31 0.00 3.30 3.16 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 5 T 8.04 4.31 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 0.55 0.00 0.00 6 L 8.38 4.97 0.00 1.60 1.35 0.34 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.20 4.82 0.00 1.43 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 0.00 0.00 0.00 8 K 8.75 4.32 0.00 1.79 1.71 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.15 7.81 9 N 8.69 4.94 0.00 3.00 2.93 0.00 0.00 7.26 7.26 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 10 K 8.98 4.14 0.00 2.12 1.87 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 0.99 7.81 11 D 8.68 4.57 0.00 2.74 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 *12 K 8.90 3.82 0.00 1.81 1.74 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.03 7.81 13 S 8.06 4.26 0.00 3.84 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 0.00 14 S 7.94 4.55 0.00 4.24 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 15 A 8.03 4.21 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.02 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 17 T 7.61 4.20 3.89 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 1.05 0.00 0.00 18 Y 7.20 5.86 0.00 3.21 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 19 P 0.00 4.26 0.00 1.73 1.90 0.00 4.23 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.10 0.00 20 Y 7.74 5.35 0.00 2.58 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 21 F 8.55 5.55 0.00 3.18 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 22 V 8.93 4.99 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 0.76 0.00 0.00 1.15 0.00 0.00 23 D 9.26 4.82 0.00 2.96 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 24 V 8.52 4.29 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 0.82 0.00 0.00 1.01 0.00 0.00 25 Q 8.21 4.11 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 26 S 8.50 4.10 0.00 3.86 3.70 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 27 D 8.70 4.38 0.00 2.73 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 28 L 7.68 4.07 0.00 1.66 1.74 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.89 4.67 0.00 1.77 1.62 0.90 0.76 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 30 D 7.76 4.60 0.00 2.74 2.84 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 31 N 7.96 4.55 0.00 2.85 2.97 0.00 0.00 6.13 7.79 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 32 L 7.67 4.07 0.00 1.73 1.62 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.71 4.91 0.00 2.74 3.01 0.00 0.00 5.71 7.22 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 34 T 7.73 5.15 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 1.17 0.00 0.00 35 R 8.79 4.74 0.00 1.56 1.72 0.00 3.52 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 36 L 8.57 4.72 0.00 1.74 1.50 0.89 1.06 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 37 V 8.79 5.11 2.26 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 0.73 0.00 0.00 0.69 0.00 0.00 38 I 8.54 4.88 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.98 0.00 0.00 39 P 0.00 4.90 0.00 1.76 1.44 0.00 3.67 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 1.71 1.76 0.00 40 L 9.25 5.25 0.00 1.63 1.38 0.90 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 T 9.00 5.39 4.54 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 1.41 0.00 0.00 42 P 0.00 4.61 0.00 2.24 1.95 0.00 3.75 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 43 I 8.09 3.74 1.78 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 1.14 0.54 0.89 0.00 0.00 44 E 8.42 4.06 0.00 1.89 1.96 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 2.31 1.88 0.00 45 L 7.60 4.32 0.00 1.68 1.62 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.41 4.25 0.00 1.87 1.59 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *49 K 8.49 4.01 0.00 1.80 1.68 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 50 A 8.34 4.27 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 51 P 0.00 4.16 0.00 2.11 2.27 0.00 3.74 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 2.11 2.21 0.00 52 S 7.75 4.56 0.00 3.90 4.09 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 0.00 0.00 0.00 53 H 7.52 4.10 0.00 2.72 1.81 0.00 5.68 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 54 L 7.65 4.38 0.00 1.93 1.76 1.18 0.97 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 55 C 7.40 5.27 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.38 0.00 2.04 1.98 0.00 3.59 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 57 T 8.36 4.77 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 1.21 0.00 0.00 58 I 8.63 3.99 1.83 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.72 0.40 0.00 0.00 59 H 8.88 5.34 0.00 3.14 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.92 4.76 1.89 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.99 0.00 0.00 61 D 8.76 4.64 0.00 2.72 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 62 E 8.05 4.30 0.00 1.80 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 0.00 1.72 2.31 0.00 63 G 7.63 3.64 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 0.00 0.00 0.00 64 D 8.16 5.22 0.00 2.40 2.47 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 65 F 9.21 5.39 0.00 2.86 2.90 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 0.00 0.00 0.00 66 I 8.92 4.92 1.95 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 1.14 1.03 1.01 0.00 0.00 67 M 8.71 4.66 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 68 L 8.60 4.65 0.00 1.78 1.65 1.25 0.47 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 T 8.24 3.90 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 70 Q 8.11 4.10 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.22 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 71 Q 7.95 4.43 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 72 M 7.49 4.16 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 73 T 8.57 4.58 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 1.07 0.00 0.00 74 S 8.54 4.95 0.00 3.85 3.79 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 75 V 8.57 4.51 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 0.48 0.00 0.00 0.73 0.00 0.00 76 P 0.00 4.64 0.00 2.12 1.93 0.00 3.49 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 2.05 2.02 0.00 77 V 8.52 3.68 2.12 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 0.88 0.00 0.00 0.89 0.00 0.00 78 K 7.96 4.03 0.00 1.92 1.98 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.47 7.81 79 I 7.41 4.08 1.86 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.44 0.85 0.00 0.00 80 L 7.80 4.49 0.00 1.77 1.23 0.84 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.29 4.02 0.00 4.03 4.05 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 82 E 7.78 4.69 0.00 2.04 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 2.21 2.23 0.00 83 P 0.00 4.13 0.00 2.01 1.76 0.00 3.96 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 84 V 8.00 4.24 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 0.78 0.00 0.00 0.85 0.00 0.00 85 N 7.25 4.62 0.00 2.65 2.47 0.00 0.00 6.73 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 86 E 8.32 5.09 0.00 2.07 1.81 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 0.00 2.17 2.37 0.00 87 L 8.99 5.01 0.00 1.77 1.79 0.79 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.81 3.82 0.00 4.01 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 0.00 89 T 7.78 3.94 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 1.09 0.00 0.00 90 F 8.54 4.71 0.00 3.09 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 91 R 7.37 2.99 0.00 1.33 1.72 0.00 3.33 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 92 N 7.99 4.31 0.00 2.77 2.85 0.00 0.00 6.99 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 93 E 8.20 4.00 0.00 2.36 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 2.55 2.52 0.00 94 I 7.99 3.84 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.70 1.12 0.00 0.00 95 I 8.16 3.78 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.09 0.99 0.00 0.00 96 A 8.37 4.07 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 97 A 8.09 4.28 1.52 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 98 I 8.07 3.70 2.08 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 1.58 0.92 0.95 0.00 0.00 99 D 8.33 4.41 0.00 2.95 2.78 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 0.00 100 F 8.48 4.02 0.00 3.10 3.25 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 0.00 101 L 7.97 3.90 0.00 1.76 1.92 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.24 4.25 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 1.57 0.60 0.90 0.00 0.00 103 T 8.27 4.27 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 0.00 104 G 7.32 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.