NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 Q 4.3237 8.3449 119.6892 55.5196 31.1104 175.7104 28 E 4.5485 7.8494 115.3707 54.7908 30.9302 173.5538 29 I 5.2823 7.5719 113.1599 59.1941 40.9543 174.6533 30 S 4.7240 9.0356 117.4547 57.0473 66.8592 172.3795 31 K 4.8559 8.6194 122.6240 55.0381 33.6233 175.3250 32 S 4.8822 9.1417 123.7054 56.7888 65.6636 173.0718 33 I 4.7429 8.0333 123.1918 59.8168 39.9534 174.0265 34 Y 4.8710 8.7659 124.1236 56.5036 41.2683 174.2809 35 T 4.7650 9.0332 117.6340 60.9132 69.6748 172.8108 36 C 5.6305 9.0693 125.6534 54.7519 38.4475 173.2256 37 N 4.4418 8.7863 116.5794 54.3021 39.4166 175.3816 38 D 4.4870 9.1819 117.5573 55.4508 38.3182 173.8492 39 N 4.2418 8.3942 113.3104 54.4936 37.6755 173.6879 40 Q 4.2548 7.7818 115.0014 55.0853 29.6542 175.9539 41 V 4.8605 7.7509 120.5278 60.4019 34.1728 174.1604 *43 E 4.4167 8.3332 117.4049 56.4976 30.7496 175.8891 44 V 4.3079 8.5101 122.0516 61.1781 35.1189 174.1321 45 I 4.5367 8.2401 129.1050 60.6640 38.5001 174.2784 46 Y 5.0129 8.7681 125.8226 56.5789 40.0891 174.8377 47 V 4.8976 8.9641 124.0152 61.2188 34.2625 173.8755 48 N 5.4957 9.3844 126.7905 51.8223 40.8681 174.0706 49 T 4.4413 8.8628 117.0185 61.0535 69.7183 175.8443 50 E 3.9761 9.3562 122.2597 58.9780 29.5220 178.4903 51 A 4.1349 7.8558 120.2253 52.7925 19.0373 177.9758 52 G 4.1185 8.0348 103.4321 45.0429 0.0000 173.2875 53 N 4.5865 8.5892 118.3861 52.5642 40.1092 173.8856 54 A 5.3283 8.2173 124.9544 50.4857 21.8768 174.8265 55 Y 5.4818 9.2093 118.3725 56.4805 43.0494 174.0793 56 A 4.9957 8.6488 120.8437 50.3957 22.7672 175.5305 57 I 4.7390 8.5249 120.7303 59.3714 40.7273 174.9528 58 I 4.6121 8.0988 119.0899 58.9182 40.8646 174.5451 59 S 4.8172 8.3188 116.4205 56.5863 64.5645 173.1483 60 Q 4.3728 8.5333 125.4643 55.4204 32.2851 175.7218 61 V 3.4012 9.3004 115.0763 62.8237 29.1946 172.8651 62 N 4.3788 8.4056 110.1145 54.2655 36.9945 174.6749 63 E 4.5576 7.7000 119.4115 55.6138 34.2382 176.2101 *65 I 3.9129 8.3298 125.4861 61.4806 38.8006 174.0251 66 P 4.9728 0.0000 0.0000 61.8809 33.1433 175.7833 *68 R 4.3606 8.2805 115.8469 55.7987 30.2771 175.1030 69 L 4.0451 7.6435 120.7414 54.1719 42.1153 175.8558 *71 K 3.8944 7.7073 121.1381 55.8901 34.2628 174.6809 *76 A 4.1065 7.5562 115.4404 51.8280 21.0596 174.9003 77 N 5.4944 8.4558 118.9721 51.5852 41.9383 173.2118 78 Y 5.1503 9.1387 120.5207 56.2808 41.5523 174.5790 79 E 5.0587 9.0202 121.0882 53.9722 33.4139 175.7213 80 A 4.2085 8.4242 124.4147 52.8366 18.3764 178.1725 81 I 3.7318 8.6943 123.9824 64.1288 37.5572 176.2058 82 D 4.6113 8.0405 121.2427 53.3122 40.5733 176.7073 83 K 4.0946 8.6814 127.1701 58.9094 32.2574 178.3905 84 N 4.3776 8.5706 115.9180 55.3006 38.6266 174.6727 85 Y 4.5240 7.9901 115.9703 56.7138 39.3802 175.3188 86 T 4.6297 7.8920 111.2355 61.5537 70.8317 173.0473 87 Y 4.7301 7.8304 120.5402 58.8015 39.2369 175.2355 88 K 4.9803 9.3051 122.2122 54.5549 36.7819 174.8678 89 L 4.9812 8.9057 127.0696 53.6462 44.3274 174.3733 90 Y 5.5154 9.2954 125.2700 56.0962 39.6950 175.0611 91 T 5.2348 8.8878 114.0646 60.0968 72.3885 174.4025 92 K 4.3953 9.1882 123.4438 56.1515 36.2810 177.5874 93 G 3.8536 8.4469 116.2214 47.0741 0.0000 173.4319 94 K 4.5585 8.9399 124.0380 55.8667 32.2565 175.0385 95 T 5.8460 8.1337 109.4352 59.6565 72.2903 172.6254 96 A 5.0941 8.1007 121.7695 51.4010 22.8733 174.7021 97 E 4.9609 9.3715 119.8477 54.5780 33.8250 173.6088 98 L 5.1832 9.1467 128.8285 53.5622 44.5540 175.5296 99 V 5.2387 8.9721 118.6779 59.7265 36.4492 173.8217 100 E 5.0140 8.4113 118.3883 54.1259 33.1467 176.7930 101 G 3.5419 8.7458 109.6610 47.2709 0.0000 176.7107 102 D 4.5762 8.6118 117.0773 54.3037 39.4618 175.2362 103 D 4.4932 7.8899 116.3557 54.8836 39.4484 174.5948 104 K 4.2128 8.0853 118.4983 55.0960 32.4996 175.4403 105 P 4.6059 0.0000 0.0000 63.2482 31.8810 175.1204 106 V 4.3154 8.9318 122.3456 64.0339 33.1370 175.5581 107 L 4.9114 7.7896 118.9452 52.9783 45.3020 175.4099 108 S 4.8758 8.3738 118.2013 56.4899 67.3696 172.9766 109 N 4.2907 8.5167 117.3318 54.9239 37.2837 174.8440 110 C 5.1795 7.9610 114.6449 56.6959 39.9402 174.4556 111 S 6.0502 8.9345 115.6307 56.5089 66.6550 174.0603 112 L 4.4698 8.4342 119.9569 54.6425 41.0300 177.0180 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 27 Q 8.34 4.32 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 28 E 7.85 4.55 0.00 2.03 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 0.00 2.49 2.40 0.00 29 I 7.57 5.28 1.89 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 1.41 0.68 0.93 0.00 0.00 30 S 9.04 4.72 0.00 3.91 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 31 K 8.62 4.86 0.00 1.75 1.72 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.67 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.40 7.81 32 S 9.14 4.88 0.00 3.92 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 33 I 8.03 4.74 1.82 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 1.30 1.49 0.91 0.00 0.00 34 Y 8.77 4.87 0.00 2.92 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 35 T 9.03 4.77 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 1.31 0.00 0.00 36 C 9.07 5.63 0.00 2.81 3.17 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 0.00 0.00 0.00 0.00 37 N 8.79 4.44 0.00 2.66 2.76 0.00 0.00 7.46 7.59 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 38 D 9.18 4.49 0.00 3.00 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 39 N 8.39 4.24 0.00 2.83 2.88 0.00 0.00 7.22 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 40 Q 7.78 4.25 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.27 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 41 V 7.75 4.86 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 1.21 0.00 0.00 0.95 0.00 0.00 *43 E 8.33 4.42 0.00 1.87 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 2.20 2.30 0.00 44 V 8.51 4.31 1.71 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 0.08 0.00 0.00 0.83 0.00 0.00 45 I 8.24 4.54 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.78 0.88 0.00 0.00 46 Y 8.77 5.01 0.00 2.94 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 47 V 8.96 4.90 2.41 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 1.13 0.00 0.00 0.98 0.00 0.00 48 N 9.38 5.50 0.00 2.72 2.73 0.00 0.00 7.28 7.46 0.00 0.00 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 T 8.86 4.44 4.39 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 1.45 0.00 0.00 50 E 9.36 3.98 0.00 1.95 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 0.00 2.36 2.50 0.00 51 A 7.86 4.13 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 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 53 N 8.59 4.59 0.00 2.78 2.64 0.00 0.00 6.71 6.51 0.00 0.00 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 A 8.22 5.33 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 55 Y 9.21 5.48 0.00 2.91 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 A 8.65 5.00 0.37 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 57 I 8.52 4.74 1.74 0.00 0.00 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 1.20 0.95 0.80 0.00 0.00 58 I 8.10 4.61 1.65 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.38 0.69 0.00 0.00 59 S 8.32 4.82 0.00 3.76 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 60 Q 8.53 4.37 0.00 1.70 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.04 0.00 0.00 0.00 0.00 0.00 1.80 1.44 0.00 61 V 9.30 3.40 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 0.76 0.00 0.00 1.05 0.00 0.00 62 N 8.41 4.38 0.00 2.89 2.92 0.00 0.00 6.96 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 63 E 7.70 4.56 0.00 2.02 1.66 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 2.24 2.45 0.00 *65 I 8.33 3.91 1.62 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.53 0.76 0.00 0.00 66 P 0.00 4.97 0.00 2.05 1.94 0.00 3.51 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 2.05 2.00 0.00 *68 R 8.28 4.36 0.00 2.01 2.26 0.00 3.00 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 69 L 7.64 4.05 0.00 1.33 1.36 0.25 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *71 K 7.71 3.89 0.00 1.74 1.64 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.43 7.81 *76 A 7.56 4.11 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 77 N 8.46 5.49 0.00 2.52 2.47 0.00 0.00 6.93 7.48 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 78 Y 9.14 5.15 0.00 2.77 2.83 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 79 E 9.02 5.06 0.00 1.80 1.82 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 2.17 2.17 0.00 80 A 8.42 4.21 1.48 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 0.00 0.00 0.00 81 I 8.69 3.73 1.92 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 1.30 0.74 0.97 0.00 0.00 82 D 8.04 4.61 0.00 2.78 2.80 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 83 K 8.68 4.09 0.00 1.81 1.88 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.43 7.81 84 N 8.57 4.38 0.00 2.81 2.63 0.00 0.00 6.89 6.98 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 85 Y 7.99 4.52 0.00 3.15 2.99 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 0.00 0.00 0.00 0.00 86 T 7.89 4.63 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 1.14 0.00 0.00 87 Y 7.83 4.73 0.00 2.99 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 88 K 9.31 4.98 0.00 1.61 1.30 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.53 7.81 89 L 8.91 4.98 0.00 1.69 1.56 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.30 5.52 0.00 2.95 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 91 T 8.89 5.23 4.38 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 1.46 0.00 0.00 92 K 9.19 4.40 0.00 1.82 1.76 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 93 G 8.45 3.85 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 0.00 0.00 0.00 94 K 8.94 4.56 0.00 1.86 1.84 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.42 7.81 95 T 8.13 5.85 4.37 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 1.27 0.00 0.00 96 A 8.10 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 9.37 4.96 0.00 2.01 1.83 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 2.29 2.44 0.00 98 L 9.15 5.18 0.00 1.71 1.49 0.98 0.63 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 99 V 8.97 5.24 2.19 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 0.84 0.00 0.00 1.27 0.00 0.00 100 E 8.41 5.01 0.00 1.71 1.93 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 2.36 2.06 0.00 101 G 8.75 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 0.00 0.00 0.00 102 D 8.61 4.58 0.00 2.63 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 0.00 103 D 7.89 4.49 0.00 2.85 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 0.00 104 K 8.09 4.21 0.00 2.00 1.76 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.42 7.81 105 P 0.00 4.61 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 106 V 8.93 4.32 2.31 0.00 0.00 0.00 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 1.16 0.00 0.00 107 L 7.79 4.91 0.00 1.57 1.49 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.37 4.88 0.00 3.73 3.71 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 0.00 109 N 8.52 4.29 0.00 2.82 2.99 0.00 0.00 7.04 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 0.00 110 C 7.96 5.18 0.00 3.00 2.99 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 0.00 0.00 0.00 0.00 111 S 8.93 6.05 0.00 3.92 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 0.00 112 L 8.43 4.47 0.00 1.46 1.46 0.82 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.