NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8388 8.4444 120.4051 56.1444 31.0697 172.1485 6 F 4.7018 8.1620 126.6139 55.8572 42.3991 172.4487 7 F 4.1271 7.1926 127.6148 56.1081 42.9045 173.2675 8 E 3.9159 7.5228 129.1274 54.8156 28.7263 175.9871 9 G 3.8194 8.4520 116.7227 48.3308 0.0000 173.3001 10 T 3.8082 7.8767 116.0396 64.2695 68.7597 173.3042 11 E 4.6193 8.5660 125.0368 54.7487 31.7717 175.1161 12 K 4.5774 8.2862 119.5487 54.5621 34.0684 175.8748 13 L 4.6979 8.3808 124.2016 52.9105 44.5716 175.0585 14 L 4.6976 8.5298 126.9681 53.0216 44.3453 174.8368 15 E 4.5619 8.7613 125.7970 54.2335 32.1195 174.6105 16 V 4.3112 8.2256 124.9058 60.7079 34.2513 174.1311 17 W 4.6195 8.7272 126.6210 54.9753 30.8436 175.5285 18 F 4.9865 8.7390 121.2087 56.2918 40.9315 174.9146 19 S 4.7436 8.3526 116.1852 57.5718 66.5719 174.6353 20 R 4.2718 8.3372 122.4202 54.8429 31.7317 175.9181 *28 G 3.6950 8.2881 106.8845 45.7381 0.0000 173.2655 29 S 4.1525 8.7764 120.2780 59.1011 63.6353 175.1848 30 G 3.8685 8.6689 107.4160 45.7486 0.0000 172.4787 31 D 4.6286 8.0232 119.0850 52.1666 44.0480 176.2468 32 L 4.0897 8.7208 126.9886 57.8263 41.8795 179.2930 33 R 4.3225 8.1531 116.4456 58.5002 30.0510 177.9600 34 T 4.0287 7.7410 114.4433 65.7552 68.6616 175.0379 35 I 3.5321 7.5245 123.2175 60.3423 37.4586 174.3425 36 P 4.4416 0.0000 0.0000 62.2084 32.2481 177.0722 37 R 4.1746 8.9172 120.1216 60.0808 29.8932 178.8565 38 S 4.1617 8.1009 113.2481 61.6582 62.8187 176.2815 39 E 3.8792 7.9758 121.7204 58.8296 29.0427 179.2940 40 W 4.4491 7.7764 118.6454 59.7632 29.1702 178.1100 41 D 4.4047 8.3965 118.9828 57.4462 40.0493 178.9718 42 I 3.7143 7.4745 118.9644 64.2160 37.1146 177.8770 43 L 4.1273 8.0532 121.1832 58.3470 42.0947 179.1200 44 L 4.0754 8.3384 118.7719 57.2449 41.2550 179.2703 45 K 3.9813 7.6153 118.9202 59.6184 32.1416 178.2460 46 D 4.4897 7.6874 118.1786 57.0769 40.8041 178.4302 47 V 3.7320 7.5708 117.1139 63.5735 31.9197 175.4085 48 Q 3.7651 8.9766 115.9448 56.5034 25.7814 172.3169 49 C 4.8641 7.7616 110.1826 57.3986 32.9322 172.0031 50 S 4.7265 9.0112 113.9378 56.9491 66.6390 173.0727 51 I 4.6584 8.3228 121.6679 61.1605 37.0780 176.0638 52 I 4.5066 8.6354 119.4382 60.9449 39.4525 175.4682 53 S 4.6832 7.6889 115.9709 57.3791 65.6698 173.2174 54 V 4.6739 8.2239 124.4652 61.4437 34.8108 174.5526 55 T 4.5340 8.7304 123.3763 61.7839 72.1557 172.7560 56 K 4.8568 8.7119 126.0366 54.7159 34.3418 175.7078 57 T 4.6410 8.2807 114.1737 59.2109 71.7534 173.5140 58 D 4.4386 8.7083 120.1178 56.9715 41.2176 177.0324 59 K 4.3537 7.8794 116.4984 57.5468 33.2410 176.1637 60 Q 4.5931 7.8407 114.5815 55.0130 31.4411 172.4790 61 E 5.0290 8.5846 118.0619 54.5088 31.9355 175.2598 62 A 4.7890 8.7705 125.6849 50.2363 22.1062 174.6168 63 Y 5.0750 8.5614 118.2992 56.1261 41.5980 175.0280 64 V 4.3297 8.6459 123.3321 61.4904 33.5614 174.9705 65 L 5.3241 8.4667 126.7058 53.3398 44.8304 175.4255 66 S 4.6307 8.9722 114.2539 56.6619 66.2263 173.6422 67 E 4.1825 8.8504 125.7042 56.5389 29.4975 176.0890 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 H 8.44 4.84 0.00 3.17 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.16 4.70 0.00 3.02 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 7 F 7.19 4.13 0.00 2.77 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 8 E 7.52 3.92 0.00 1.88 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 2.23 2.28 0.00 9 G 8.45 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 10 T 7.88 3.81 4.31 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 0.00 0.00 0.00 1.22 0.00 0.00 11 E 8.57 4.62 0.00 1.93 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 0.00 2.25 2.51 0.00 12 K 8.29 4.58 0.00 1.72 1.71 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.38 7.81 13 L 8.38 4.70 0.00 1.53 1.50 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.53 4.70 0.00 1.58 1.49 0.93 0.90 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 15 E 8.76 4.56 0.00 1.93 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 2.30 2.18 0.00 16 V 8.23 4.31 1.91 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 0.08 0.00 0.00 0.88 0.00 0.00 17 W 8.73 4.62 0.00 3.18 3.12 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 18 F 8.74 4.99 0.00 3.07 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 19 S 8.35 4.74 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 20 R 8.34 4.27 0.00 1.83 1.92 0.00 3.26 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 *28 G 8.29 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 0.00 0.00 0.00 29 S 8.78 4.15 0.00 3.99 3.99 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 30 G 8.67 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 0.00 0.00 0.00 31 D 8.02 4.63 0.00 2.67 2.48 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 32 L 8.72 4.09 0.00 1.83 1.88 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.15 4.32 0.00 2.00 2.07 0.00 3.19 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 0.00 34 T 7.74 4.03 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 1.18 0.00 0.00 35 I 7.52 3.53 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.38 -0.40 0.00 0.00 36 P 0.00 4.44 0.00 2.16 2.13 0.00 3.48 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 37 R 8.92 4.17 0.00 2.10 2.08 0.00 3.43 0.00 0.00 3.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 38 S 8.10 4.16 0.00 4.07 4.11 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 0.00 0.00 0.00 0.00 39 E 7.98 3.88 0.00 1.68 1.67 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 0.00 2.15 2.25 0.00 40 W 7.78 4.45 0.00 3.40 2.89 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 41 D 8.40 4.40 0.00 2.91 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 42 I 7.47 3.71 1.97 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 1.40 0.63 0.90 0.00 0.00 43 L 8.05 4.13 0.00 1.87 2.04 0.98 0.80 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 44 L 8.34 4.08 0.00 1.75 1.88 0.85 0.76 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 45 K 7.62 3.98 0.00 1.94 1.96 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 46 D 7.69 4.49 0.00 2.88 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 47 V 7.57 3.73 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 0.88 0.00 0.00 0.95 0.00 0.00 48 Q 8.98 3.77 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.43 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 49 C 7.76 4.86 0.00 3.23 2.89 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 50 S 9.01 4.73 0.00 3.83 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 51 I 8.32 4.66 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.51 1.13 0.00 0.00 52 I 8.64 4.51 1.88 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 1.27 0.67 0.92 0.00 0.00 53 S 7.69 4.68 0.00 3.88 3.67 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 0.00 0.00 0.00 0.00 54 V 8.22 4.67 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 0.36 0.00 0.00 1.03 0.00 0.00 55 T 8.73 4.53 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 1.14 0.00 0.00 56 K 8.71 4.86 0.00 1.56 1.66 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.21 1.27 7.81 57 T 8.28 4.64 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 1.17 0.00 0.00 58 D 8.71 4.44 0.00 2.65 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 59 K 7.88 4.35 0.00 1.78 1.85 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 60 Q 7.84 4.59 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 61 E 8.58 5.03 0.00 1.87 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 62 A 8.77 4.79 1.10 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 63 Y 8.56 5.08 0.00 2.64 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 64 V 8.65 4.33 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 1.04 0.00 0.00 0.92 0.00 0.00 65 L 8.47 5.32 0.00 1.56 1.65 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.97 4.63 0.00 3.82 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 67 E 8.85 4.18 0.00 2.10 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 2.36 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.