NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5586 8.3644 120.1935 54.1076 41.8111 173.5832 2 V 4.3532 7.5537 118.9664 60.5728 34.5228 173.2836 3 Q 4.8421 10.0306 128.7494 54.2287 31.8137 174.2818 4 L 5.3612 8.4211 121.6123 53.1233 45.8312 175.8095 5 Q 4.5636 8.6489 123.1666 54.4941 32.3964 173.5972 6 E 5.2491 8.9081 124.7740 55.9181 31.4567 175.5373 7 S 4.6615 9.0566 115.0239 56.9256 67.0425 173.8820 8 G 4.5611 8.6210 108.2256 43.0871 0.0000 170.6807 9 P 4.3281 0.0000 0.0000 62.8795 31.5672 176.8150 10 S 4.6754 8.5707 115.3531 57.6925 63.4246 173.4470 11 L 4.6357 7.5618 122.1095 53.6852 44.5445 175.4401 12 V 4.4214 8.1292 124.5667 60.8963 34.7923 174.9059 13 K 4.2745 8.4234 125.8801 55.0933 32.9008 174.8076 14 P 4.3818 0.0000 0.0000 64.1253 31.6651 177.4872 15 S 3.9065 8.6759 113.8958 58.8288 62.2279 170.6256 16 Q 4.3890 7.5375 120.2364 55.6063 30.6205 174.2204 17 S 5.0389 8.2734 115.3170 57.0275 65.1050 174.0001 18 L 4.2262 8.8589 127.8614 55.0648 43.2304 175.5413 19 S 4.9829 8.2582 118.8832 56.9865 65.6381 172.6723 20 L 4.8954 8.9109 125.3738 53.8176 46.8552 174.7335 21 T 5.2413 9.1163 116.8447 62.0363 72.6147 172.2951 22 C 5.2677 9.1118 125.4053 54.9264 40.9120 172.5476 23 T 4.7359 8.6028 122.4916 61.8636 70.7214 173.0493 24 V 4.8569 8.2998 127.5570 61.6593 33.0934 175.2852 25 T 4.5491 9.2162 117.4788 61.0782 72.0067 174.6333 26 G 4.1313 10.0007 112.3176 44.8979 0.0000 172.1620 27 Y 4.3712 7.1424 116.5884 56.9882 41.4931 172.5003 28 S 4.6952 7.3548 119.9251 56.7286 63.6708 174.5887 29 I 2.8045 8.2454 119.9988 61.5344 37.2288 177.0373 30 T 4.5895 7.3932 109.8017 61.2799 69.6063 175.1142 31 S 4.4400 7.5782 115.4179 58.2027 63.6162 172.6905 32 D 3.3700 8.1393 117.4197 54.8288 43.5034 175.5621 33 F 4.1608 7.5441 117.9617 57.1966 37.7678 174.1233 34 A 4.3341 7.7752 123.8847 50.6978 20.1116 176.9736 35 W 4.1874 8.3840 120.6621 54.9694 31.2360 174.6366 36 N 5.7804 8.7849 121.9042 51.3046 41.2300 174.2280 37 W 4.8790 9.1438 121.4644 55.0954 31.7587 174.9764 38 I 5.1828 8.6624 124.9142 59.3757 40.0851 174.9350 39 R 4.6458 8.8908 122.3516 54.2780 32.6463 174.2341 40 Q 4.8888 8.2601 122.1123 54.3018 30.7440 175.2424 41 F 4.5983 8.8066 125.6972 56.3321 40.6664 173.4417 42 P 4.4530 0.0000 0.0000 64.2348 31.5180 177.3888 43 G 3.9139 8.6071 111.1223 45.0861 0.0000 173.8198 44 N 4.6809 8.2425 116.4047 52.4986 37.5553 174.9054 45 K 4.2811 7.9495 118.1025 56.6641 33.3410 175.6905 46 L 5.1814 8.5678 123.0823 53.1283 44.3636 175.5284 47 E 4.7718 9.1773 123.1926 54.0903 32.9215 174.2410 48 W 4.5912 9.1705 135.0000 58.1241 31.0462 175.1295 49 M 4.0708 8.9207 127.4405 55.8042 33.2726 176.4245 50 G 3.7427 6.3095 103.8593 46.5652 0.0000 170.3725 51 Y 5.8253 8.3720 117.5932 55.8695 42.4252 173.6708 52 I 5.3611 8.8898 119.6798 59.2871 41.0976 175.3138 53 S 4.7315 9.5302 125.1535 57.5169 64.1182 174.8260 54 Y 4.5692 9.1772 116.9889 59.2251 37.6518 177.7961 55 S 4.2242 6.9370 112.7474 58.1726 63.4859 174.7684 56 G 3.9669 8.1880 110.0359 45.2680 0.0000 173.4887 57 N 4.7501 7.8579 118.4013 53.1911 39.6918 174.2922 58 T 5.1842 8.3987 112.5185 60.1308 71.6385 173.8113 59 R 4.3950 8.3694 121.5065 54.5843 34.1001 173.9067 60 Y 5.1631 8.2019 119.7473 55.8740 41.7678 174.7700 61 N 4.7369 8.7570 122.1160 52.9329 39.6798 174.1578 62 P 4.3537 0.0000 0.0000 65.7900 31.6144 178.1281 63 S 4.4001 8.5191 111.3188 60.2171 62.8946 174.7733 64 L 4.6730 8.1611 118.3977 53.9467 44.5439 177.5258 65 K 3.7874 7.7753 120.9133 59.1440 32.0112 177.2873 66 S 4.5773 7.9127 110.5299 58.5854 63.5398 174.2525 67 R 4.6016 8.2753 116.4915 55.5210 31.1758 174.2271 68 I 4.4622 7.5035 119.1192 59.5742 40.8025 174.6428 69 S 4.4486 8.3611 121.6899 56.8866 66.0134 172.5084 70 I 5.3547 9.1212 128.0632 59.9897 40.0566 174.8237 71 T 5.1080 8.9267 115.7210 60.6854 73.0111 171.8633 72 R 5.0458 8.5202 116.7530 55.7370 33.2249 174.6875 73 D 4.8246 9.5489 118.4428 52.4672 42.1554 175.6637 74 T 3.9096 8.6433 116.2974 64.0921 69.0254 177.0546 75 S 4.1883 7.7515 114.7338 60.0896 63.3503 174.9762 76 K 4.1791 8.2346 118.0830 55.5079 33.2242 175.3103 77 N 4.0785 7.7177 117.8280 54.6067 37.6379 172.9108 78 Q 5.0027 8.0661 116.8255 54.1768 34.1043 176.0696 79 F 5.0941 8.4381 115.8653 55.1193 41.9898 173.5347 80 F 5.5516 9.3727 116.7208 55.8431 43.6485 173.5244 81 L 4.6007 8.6891 123.6561 53.1134 44.9024 174.8925 82 Q 4.8207 8.5383 125.9393 54.2374 32.7834 173.7804 83 L 4.6352 8.9314 127.4733 52.4922 44.5479 174.7099 *583 N 4.6900 8.4928 122.3440 53.4008 40.2243 175.0862 584 S 3.9930 7.8418 115.4883 59.3327 63.7382 172.6038 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 D 8.36 4.56 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 2 V 7.55 4.35 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 0.98 0.00 0.00 1.09 0.00 0.00 3 Q 10.03 4.84 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 4 L 8.42 5.36 0.00 1.45 1.52 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.65 4.56 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 6 E 8.91 5.25 0.00 2.12 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 2.25 2.29 0.00 7 S 9.06 4.66 0.00 3.91 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 8 G 8.62 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 9 P 0.00 4.33 0.00 2.03 1.98 0.00 3.80 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 2.00 2.06 0.00 10 S 8.57 4.68 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 11 L 7.56 4.64 0.00 1.53 1.52 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.13 4.42 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 0.87 0.00 0.00 0.90 0.00 0.00 13 K 8.42 4.27 0.00 1.85 1.69 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.45 7.81 14 P 0.00 4.38 0.00 2.03 1.99 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 15 S 8.68 3.91 0.00 4.14 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 16 Q 7.54 4.39 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 17 S 8.27 5.04 0.00 3.71 3.69 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 18 L 8.86 4.23 0.00 1.62 1.42 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.26 4.98 0.00 3.78 3.58 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 20 L 8.91 4.90 0.00 0.88 1.30 0.80 0.40 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 21 T 9.12 5.24 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 1.23 0.00 0.00 22 C 9.11 5.27 0.00 1.80 1.41 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.60 4.74 4.33 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 1.21 0.00 0.00 24 V 8.30 4.86 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 1.02 0.00 0.00 1.03 0.00 0.00 25 T 9.22 4.55 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 1.23 0.00 0.00 26 G 10.00 4.13 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 0.00 27 Y 7.14 4.37 0.00 3.06 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 28 S 7.35 4.70 0.00 3.74 3.47 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 29 I 8.25 2.80 0.64 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.55 0.14 0.00 0.00 30 T 7.39 4.59 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 1.15 0.00 0.00 31 S 7.58 4.44 0.00 3.70 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 32 D 8.14 3.37 0.00 2.27 1.54 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 0.00 33 F 7.54 4.16 0.00 2.49 2.25 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 34 A 7.78 4.33 0.18 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 0.00 0.00 35 W 8.38 4.19 0.00 2.67 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 36 N 8.78 5.78 0.00 2.67 2.96 0.00 0.00 7.02 7.68 0.00 0.00 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 W 9.14 4.88 0.00 3.26 3.08 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 0.00 0.00 0.00 0.00 38 I 8.66 5.18 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.83 0.98 0.00 0.00 39 R 8.89 4.65 0.00 1.57 1.89 0.00 2.38 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.00 40 Q 8.26 4.89 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.09 0.00 0.00 0.00 0.00 0.00 2.25 2.61 0.00 41 F 8.81 4.60 0.00 3.08 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 42 P 0.00 4.45 0.00 2.10 2.04 0.00 3.89 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 2.11 2.15 0.00 43 G 8.61 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 44 N 8.24 4.68 0.00 2.87 3.23 0.00 0.00 6.96 8.47 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 45 K 7.95 4.28 0.00 1.91 1.90 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.47 7.81 46 L 8.57 5.18 0.00 1.58 1.63 0.95 0.83 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 47 E 9.18 4.77 0.00 2.31 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 2.33 2.41 0.00 48 W 9.17 4.59 0.00 3.32 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 49 M 8.92 4.07 0.00 1.88 2.18 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00 50 G 6.31 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 0.00 0.00 0.00 51 Y 8.37 5.83 0.00 3.13 3.52 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 52 I 8.89 5.36 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.65 1.04 0.00 0.00 53 S 9.53 4.73 0.00 3.80 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 54 Y 9.18 4.57 0.00 3.43 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.94 4.22 0.00 3.79 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 56 G 8.19 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 57 N 7.86 4.75 0.00 2.75 2.78 0.00 0.00 6.58 6.93 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 58 T 8.40 5.18 3.63 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 0.00 0.00 0.00 1.32 0.00 0.00 59 R 8.37 4.39 0.00 0.93 1.76 0.00 2.85 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.40 0.00 60 Y 8.20 5.16 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.76 4.74 0.00 2.92 2.68 0.00 0.00 7.23 8.45 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 62 P 0.00 4.35 0.00 2.28 2.16 0.00 3.80 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 63 S 8.52 4.40 0.00 4.01 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 64 L 8.16 4.67 0.00 1.61 1.55 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.78 3.79 0.00 1.82 1.90 0.00 1.84 0.00 0.00 1.98 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.51 7.81 66 S 7.91 4.58 0.00 4.00 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 67 R 8.28 4.60 0.00 1.92 2.06 0.00 2.69 0.00 0.00 3.07 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 68 I 7.50 4.46 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.64 0.19 0.00 0.00 69 S 8.36 4.45 0.00 3.86 3.54 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 0.00 70 I 9.12 5.35 2.33 0.00 0.00 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 1.49 1.02 1.47 0.00 0.00 71 T 8.93 5.11 4.44 0.00 0.00 0.00 0.00 0.00 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 72 R 8.52 5.05 0.00 2.03 2.07 0.00 2.94 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 73 D 9.55 4.82 0.00 3.07 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.64 3.91 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 75 S 7.75 4.19 0.00 4.10 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 76 K 8.23 4.18 0.00 1.83 1.93 0.00 2.20 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.87 7.81 77 N 7.72 4.08 0.00 2.85 2.73 0.00 0.00 6.85 6.64 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 78 Q 8.07 5.00 0.00 1.85 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.42 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 79 F 8.44 5.09 0.00 3.40 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 80 F 9.37 5.55 0.00 3.03 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 81 L 8.69 4.60 0.00 0.27 0.20 0.56 -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 0.00 0.00 0.00 0.00 82 Q 8.54 4.82 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 83 L 8.93 4.64 0.00 1.52 1.35 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *583 N 8.49 4.69 0.00 2.62 2.73 0.00 0.00 7.41 7.57 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 0.00 584 S 7.84 3.99 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.