NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0583 8.0393 120.3931 62.3737 33.3790 174.7448 2 T 4.4604 7.5232 108.4939 60.1542 71.0636 173.0996 3 L 4.0707 9.2313 125.3054 57.7017 43.2391 177.9717 4 L 5.1415 7.7625 116.4735 52.9566 44.7148 175.6598 5 E 4.5014 8.9744 122.0139 54.7076 31.9902 173.9928 6 Q 5.2596 8.6616 128.7674 54.5856 30.7203 174.3109 7 N 5.2239 8.9164 122.8987 50.7141 41.0690 172.3737 8 P 4.5471 0.0000 0.0000 62.2956 32.7945 176.1911 9 R 4.1186 8.2206 121.0941 58.9222 30.8641 175.8654 10 W 5.8176 6.9563 112.5030 55.2878 32.0475 174.5851 11 R 4.6751 9.3303 120.2646 55.4910 33.3460 173.3005 12 L 5.0657 8.7365 126.7934 53.6143 43.1421 176.4057 13 V 4.6957 9.0173 117.0425 58.8304 36.6843 172.7205 14 P 5.3966 0.0000 0.0000 61.8585 32.6039 175.5499 15 R 3.9310 8.6007 122.3970 58.2948 30.2570 175.1543 16 G 4.0132 8.5085 112.8070 45.6072 0.0000 173.7288 17 Q 3.9387 7.9241 121.2107 55.6081 29.2714 175.6772 18 A 4.3911 8.3958 127.2800 52.1559 19.6208 176.5309 19 V 4.3897 8.7420 119.3498 61.1625 35.3272 173.9386 20 N 5.3186 8.8336 124.5830 51.7442 40.3180 174.1670 21 L 4.7764 8.4301 124.0399 53.2814 44.7997 175.6665 22 R 5.0909 9.0930 120.7156 55.0186 34.2553 172.9725 23 C 5.5302 9.5263 124.2242 54.9083 48.7123 172.4816 24 I 5.0505 8.4895 125.9739 59.3328 39.8482 174.3035 25 L 4.4106 8.8718 130.6757 54.1447 42.4830 176.5119 26 K 4.6490 8.5970 127.3749 55.6873 32.9150 176.3115 27 N 4.4629 7.7947 116.3825 52.9179 41.1515 175.0029 28 S 4.2945 8.8464 120.8872 60.3062 63.4934 174.6904 29 Q 4.1315 8.7200 120.5506 56.6480 29.1871 175.0820 30 Y 5.0974 7.3419 114.7568 56.3591 38.3396 174.2775 30A P 4.2628 0.0000 0.0000 64.6137 32.3775 177.0441 31 W 4.2564 8.3202 119.8438 56.5087 29.4273 175.1670 32 M 5.6849 8.3032 124.3135 53.3887 34.6225 175.3641 33 S 5.0331 8.0439 112.8144 57.4467 68.5799 172.8322 34 W 5.3856 8.8287 121.1004 55.3846 31.7798 174.7791 35 Y 5.0727 9.7316 121.3152 56.3010 41.5623 174.1165 36 Q 4.9218 9.3558 124.9402 54.5614 31.9516 174.0421 37 Q 5.6281 9.3376 126.5279 53.2070 31.9513 174.8411 38 D 4.9139 8.7550 126.2987 52.4660 40.5172 177.0645 39 L 4.1178 8.4764 118.9165 57.0814 41.6980 178.0833 40 Q 4.4241 8.5610 117.7721 55.3257 28.6775 177.1752 41 K 4.0047 8.4959 116.0937 56.6333 30.8194 175.6079 42 Q 4.2044 7.7971 120.8437 55.7814 29.6625 175.1534 43 L 4.9152 8.5197 127.0436 54.8439 43.0047 176.3113 44 Q 4.7897 9.3584 123.0862 54.4197 32.9388 173.5117 45 W 3.3145 8.9888 135.0000 57.4001 31.1865 174.1028 46 L 3.6307 7.4687 124.2846 55.2336 42.9731 176.5018 47 F 4.4860 6.5179 114.6139 56.1098 44.2528 173.4995 48 T 5.4056 8.7231 115.8926 61.5741 71.7529 173.5232 49 L 4.6110 8.6569 127.0404 53.1169 43.5127 176.5689 50 R 3.7864 8.5346 123.7352 56.5905 31.5074 176.1562 51 S 4.5678 7.9708 113.8813 55.5254 64.5492 171.4988 52 P 4.5800 0.0000 0.0000 65.1277 31.0913 175.2267 53 G 3.6583 8.7445 114.1314 45.5817 0.0000 173.4070 54 D 4.4876 8.3894 122.2653 54.2098 41.4975 175.5688 55 K 4.9611 8.2759 124.3509 54.8518 35.6595 174.5137 56 E 4.7622 8.1403 122.9921 55.4508 33.4573 174.4028 57 V 5.1179 8.4329 117.6074 59.8734 35.4105 174.6685 58 K 4.7110 8.7704 121.2446 55.5330 36.2656 175.1508 59 S 4.9420 8.5884 119.9788 56.9843 65.5860 173.7846 60 L 4.5640 8.3002 123.9395 52.2007 43.1738 174.9473 61 P 4.4072 0.0000 0.0000 64.4852 31.6612 176.7812 62 G 4.1923 10.4746 111.0460 44.6048 0.0000 172.6047 63 A 4.6824 7.8115 119.2223 50.9069 23.3156 174.8589 64 D 4.7963 8.6329 121.7338 52.8976 43.3660 175.7579 65 Y 5.0391 8.7601 120.9670 55.8739 41.9902 175.0339 66 L 4.4771 8.2931 119.5675 54.9788 44.2769 172.7414 67 A 5.3035 7.6860 128.2549 49.6495 21.9207 175.4104 68 T 4.8533 8.1692 116.0544 62.0737 73.4644 173.5111 69 R 4.4171 8.7787 127.3181 54.9299 28.9339 176.9436 70 V 3.4911 8.3660 123.6001 64.9869 32.2847 175.6472 71 T 4.7390 7.5698 106.9431 59.4198 71.7391 174.0510 72 D 4.4970 8.7023 120.4050 56.7558 40.8576 177.2604 73 T 4.5898 7.6607 106.1454 60.8549 71.0425 173.0170 74 E 5.0403 8.2091 123.9082 54.4601 32.6114 173.8741 75 L 5.1820 8.7745 128.9169 53.3854 45.0714 175.3217 76 R 5.5047 9.0097 123.7911 54.7622 34.6046 173.9624 77 L 4.5986 8.4114 119.9085 54.1468 45.9769 174.3398 78 Q 4.6002 8.7390 123.5254 54.0652 32.0011 174.4273 79 V 3.8598 8.5415 125.5375 62.0547 32.7476 174.8396 80 A 4.7926 8.2179 128.6871 50.2801 23.0065 175.0148 81 N 4.2125 8.8437 113.7823 54.0170 36.6903 174.5922 82 M 4.2524 7.9449 117.6721 55.9080 32.7827 176.3319 83 S 4.5440 9.0870 120.8864 58.6559 64.8381 173.9791 84 Q 4.7618 7.6624 117.4944 53.1811 32.2377 174.8911 85 G 4.0398 8.5573 107.2202 46.9744 0.0000 172.7389 86 R 4.8877 8.0701 114.0435 55.6246 33.2734 173.3707 87 T 5.2571 8.2374 110.7896 59.0288 71.9142 172.8560 *90 L 4.8100 8.3482 123.6265 55.0527 43.6983 174.9820 91 Y 5.1953 10.0581 122.2323 56.5049 40.7979 173.7854 92 C 5.0203 9.2978 124.0026 55.3086 44.6423 172.2126 93 T 5.2202 8.8962 116.0592 59.8920 71.9512 172.4605 94 C 5.5369 8.6479 117.5886 56.8408 33.4406 172.6956 95 S 5.2666 9.2776 114.0392 56.8556 65.4782 174.6754 96 A 4.6444 8.8379 127.7443 54.5063 18.2679 176.9467 97 D 4.5434 7.4609 111.7043 51.8143 42.4416 174.6106 98 R 2.0000 7.7328 118.2685 58.8514 29.9200 177.7631 99 V 3.5302 7.4012 116.0923 64.9917 32.9103 176.2429 100 G 4.3183 7.4577 104.6298 44.8394 0.0000 174.2827 *103 N 4.5156 8.9883 123.6852 53.0632 40.1957 174.1507 *105 T 5.0011 7.8073 107.8344 61.4173 69.3323 173.9799 106 L 4.8107 8.0074 121.5792 56.3694 42.3662 175.8833 107 Y 4.6549 8.9585 120.8976 56.2931 40.3340 174.8101 108 F 4.6647 8.9563 122.4670 56.7030 40.5265 176.7870 109 G 4.0971 8.8277 110.4485 45.9869 0.0000 172.9008 110 E 4.2631 9.0239 118.1203 57.3463 29.9169 177.6096 111 G 4.0098 8.9868 103.3446 45.4019 0.0000 173.7007 112 S 4.7999 7.7303 113.3081 55.9022 64.5817 171.6195 113 R 4.0148 8.9346 123.0382 56.6142 31.4896 174.6846 114 L 5.1171 8.8179 127.6716 53.2369 43.9862 175.6428 115 I 4.7363 9.1754 125.6761 59.3608 39.9885 174.9800 116 V 4.5322 8.4678 127.3161 62.2038 32.4046 176.0288 117 V 4.0907 8.7606 127.6117 61.7851 31.5689 175.6893 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 V 8.04 4.06 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 1.02 0.00 0.00 0.94 0.00 0.00 2 T 7.52 4.46 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 1.23 0.00 0.00 3 L 9.23 4.07 0.00 1.43 1.53 0.47 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.76 5.14 0.00 1.49 1.54 0.95 0.70 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 5 E 8.97 4.50 0.00 1.99 1.79 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 2.17 2.20 0.00 6 Q 8.66 5.26 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 7 N 8.92 5.22 0.00 2.77 2.80 0.00 0.00 6.43 7.67 0.00 0.00 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 P 0.00 4.55 0.00 2.20 1.97 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 9 R 8.22 4.12 0.00 1.67 1.17 0.00 3.28 0.00 0.00 3.56 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 10 W 6.96 5.82 0.00 3.24 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 11 R 9.33 4.68 0.00 1.93 1.81 0.00 3.15 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 12 L 8.74 5.07 0.00 1.61 1.61 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 V 9.02 4.70 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 0.99 0.00 0.00 14 P 0.00 5.40 0.00 2.11 2.18 0.00 3.90 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 2.06 1.80 0.00 15 R 8.60 3.93 0.00 1.77 1.93 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 16 G 8.51 4.01 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 17 Q 7.92 3.94 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 18 A 8.40 4.39 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 19 V 8.74 4.39 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 0.94 0.00 0.00 0.95 0.00 0.00 20 N 8.83 5.32 0.00 2.60 2.70 0.00 0.00 6.95 7.85 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 21 L 8.43 4.78 0.00 1.34 1.54 0.69 0.59 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 22 R 9.09 5.09 0.00 1.85 1.74 0.00 3.17 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 23 C 9.53 5.53 0.00 2.97 2.81 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 0.00 0.00 0.00 24 I 8.49 5.05 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 1.12 0.83 0.90 0.00 0.00 25 L 8.87 4.41 0.00 1.58 1.56 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.60 4.65 0.00 1.84 1.78 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.50 7.81 27 N 7.79 4.46 0.00 2.72 2.82 0.00 0.00 6.83 7.63 0.00 0.00 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 S 8.85 4.29 0.00 4.00 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 29 Q 8.72 4.13 0.00 1.48 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 30 Y 7.34 5.10 0.00 2.88 2.95 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 30A P 0.00 4.26 0.00 2.06 2.16 0.00 4.06 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 2.19 2.04 0.00 31 W 8.32 4.26 0.00 3.63 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.30 5.68 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 33 S 8.04 5.03 0.00 3.95 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 34 W 8.83 5.39 0.00 3.25 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 35 Y 9.73 5.07 0.00 3.39 3.13 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 0.00 0.00 0.00 0.00 36 Q 9.36 4.92 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 37 Q 9.34 5.63 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.21 0.00 38 D 8.75 4.91 0.00 2.95 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 39 L 8.48 4.12 0.00 1.68 1.80 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.56 4.42 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.88 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 41 K 8.50 4.00 0.00 1.87 1.96 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.40 7.81 42 Q 7.80 4.20 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 43 L 8.52 4.92 0.00 1.61 1.74 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.36 4.79 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 45 W 8.99 3.31 0.00 3.02 2.95 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 46 L 7.47 3.63 0.00 0.94 0.32 0.06 0.14 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 47 F 6.52 4.49 0.00 2.98 2.74 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 48 T 8.72 5.41 4.72 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 1.66 0.00 0.00 49 L 8.66 4.61 0.00 1.44 1.48 0.89 0.89 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 50 R 8.53 3.79 0.00 0.67 1.08 0.00 2.66 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 51 S 7.97 4.57 0.00 4.07 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 52 P 0.00 4.58 0.00 1.99 2.12 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 53 G 8.74 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 54 D 8.39 4.49 0.00 2.63 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 55 K 8.28 4.96 0.00 1.67 1.58 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.31 7.81 56 E 8.14 4.76 0.00 2.00 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 2.40 2.35 0.00 57 V 8.43 5.12 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 0.75 0.00 0.00 0.99 0.00 0.00 58 K 8.77 4.71 0.00 1.72 1.33 0.00 1.00 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.25 1.37 7.81 59 S 8.59 4.94 0.00 3.76 3.81 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 0.00 0.00 0.00 60 L 8.30 4.56 0.00 1.88 1.63 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.41 0.00 2.05 2.02 0.00 3.67 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 2.05 2.11 0.00 62 G 10.47 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 0.00 0.00 0.00 0.00 63 A 7.81 4.68 0.78 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 0.00 0.00 64 D 8.63 4.80 0.00 2.51 2.53 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 65 Y 8.76 5.04 0.00 3.07 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 66 L 8.29 4.48 0.00 1.67 1.48 0.90 1.00 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 67 A 7.69 5.30 0.95 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 68 T 8.17 4.85 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 1.21 0.00 0.00 69 R 8.78 4.42 0.00 1.85 1.88 0.00 3.24 0.00 0.00 2.99 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 70 V 8.37 3.49 2.17 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 0.86 0.00 0.00 0.93 0.00 0.00 71 T 7.57 4.74 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 1.19 0.00 0.00 72 D 8.70 4.50 0.00 2.64 2.74 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 73 T 7.66 4.59 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 1.19 0.00 0.00 74 E 8.21 5.04 0.00 2.05 1.79 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 2.20 2.23 0.00 75 L 8.77 5.18 0.00 1.67 1.29 0.97 -0.34 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 76 R 9.01 5.50 0.00 1.82 1.84 0.00 3.21 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 77 L 8.41 4.60 0.00 0.27 0.53 0.62 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.74 4.60 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.50 2.19 0.00 79 V 8.54 3.86 1.99 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 0.77 0.00 0.00 0.93 0.00 0.00 80 A 8.22 4.79 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.84 4.21 0.00 2.87 2.83 0.00 0.00 6.90 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 82 M 7.94 4.25 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 83 S 9.09 4.54 0.00 3.99 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 84 Q 7.66 4.76 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 85 G 8.56 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.07 4.89 0.00 1.99 2.06 0.00 2.72 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 87 T 8.24 5.26 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 1.29 0.00 0.00 *90 L 8.35 4.81 0.00 1.62 1.74 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 10.06 5.20 0.00 3.28 3.32 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 92 C 9.30 5.02 0.00 2.71 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 93 T 8.90 5.22 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 0.55 0.00 0.00 94 C 8.65 5.54 0.00 3.30 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 95 S 9.28 5.27 0.00 3.99 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 96 A 8.84 4.64 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 97 D 7.46 4.54 0.00 2.53 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.73 2.00 0.00 0.83 1.54 0.00 3.12 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.14 0.00 99 V 7.40 3.53 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 0.79 0.00 0.00 0.81 0.00 0.00 100 G 7.46 4.32 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 0.00 *103 N 8.99 4.52 0.00 2.94 2.88 0.00 0.00 6.54 7.05 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 *105 T 7.81 5.00 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 1.33 0.00 0.00 106 L 8.01 4.81 0.00 1.70 1.74 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.96 4.65 0.00 2.75 2.88 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 0.00 108 F 8.96 4.66 0.00 2.86 3.02 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 0.00 109 G 8.83 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 0.00 0.00 0.00 110 E 9.02 4.26 0.00 2.02 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 0.00 2.38 2.38 0.00 111 G 8.99 4.01 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 0.00 112 S 7.73 4.80 0.00 3.74 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 0.00 113 R 8.93 4.01 0.00 2.05 2.00 0.00 3.16 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 114 L 8.82 5.12 0.00 1.81 1.58 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 I 9.18 4.74 1.90 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 1.13 0.68 0.91 0.00 0.00 116 V 8.47 4.53 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 0.81 0.00 0.00 0.93 0.00 0.00 117 V 8.76 4.09 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.