NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7965 8.3393 109.7360 44.7403 0.0000 174.2897 *4 P 4.1197 0.0000 0.0000 62.5511 32.1970 176.1318 5 V 4.5498 7.7718 112.7627 59.7140 36.2436 173.8338 6 E 4.3294 8.6885 122.8974 54.3678 32.3912 174.5020 7 F 5.3437 8.3180 125.4151 56.5332 40.2692 174.7807 8 N 5.1039 8.6981 121.5153 51.6566 40.5433 174.8665 9 T 4.5179 8.6978 111.0724 61.4541 70.2419 173.9199 10 L 4.9707 7.5065 120.6965 53.2796 46.3158 175.7430 11 I 4.2033 8.6116 123.2906 60.3324 38.4915 175.1566 12 V 4.7307 8.4891 128.4276 61.3634 32.8862 175.0813 13 T 4.3779 8.7024 120.7227 59.4559 69.8397 176.6724 14 K 4.5393 7.9508 129.3787 55.9213 31.6088 178.8525 15 G 4.0752 8.9648 106.4953 46.1452 0.0000 174.8770 16 K 4.4885 7.4982 116.6450 56.2058 32.7762 176.2301 17 E 4.6063 7.9072 117.0972 56.4840 31.1581 175.8706 18 V 4.6369 8.8107 121.1601 61.1012 34.8279 174.3116 19 R 4.5926 8.8247 124.7322 55.2756 30.0858 176.2589 20 I 4.2486 7.9081 115.9758 60.9895 39.5107 175.3582 21 D 4.2944 7.0918 122.7431 53.5412 42.4920 175.0535 22 E 4.0882 8.6174 113.3097 58.6866 30.3139 177.3464 23 N 5.0095 7.8716 114.1587 51.9599 40.9819 173.5287 24 I 4.6578 7.1754 113.6440 59.1390 40.2895 174.7695 25 F 5.2041 8.8457 123.8795 55.5408 43.2648 173.8219 26 T 5.1682 9.0409 109.1535 60.0927 72.1480 172.8159 27 L 5.0155 9.2087 126.4711 53.2932 45.5234 174.2732 28 E 5.0951 8.9793 127.0405 54.6705 31.0582 174.8932 29 K 4.7929 9.7193 126.9045 54.5397 36.0908 174.5469 30 D 4.7068 8.6388 121.7334 54.6049 42.1381 177.3245 31 G 3.6338 8.9442 110.0172 45.4032 0.0000 172.8975 32 Y 3.9299 7.3228 116.7605 57.1996 38.1036 175.0166 33 R 5.0441 8.6700 123.3797 54.7732 32.6932 176.2098 34 V 4.7101 9.1829 122.3570 61.6569 33.6374 174.0019 35 Y 4.9982 8.6662 124.9834 55.5935 40.8839 175.7395 36 P 4.3982 0.0000 0.0000 62.4885 31.9062 175.6185 *38 E 4.2605 8.5509 118.2618 56.3385 31.1595 176.1680 39 I 4.5195 7.5278 119.0171 59.7676 38.4235 174.0151 40 P 5.2776 0.0000 0.0000 62.4153 32.4661 175.2883 *42 D 4.6423 8.4272 119.1808 54.4202 42.7479 174.9232 43 V 4.9669 8.4774 114.6029 59.6323 35.3507 174.9583 44 R 4.8300 9.0612 120.3717 54.5508 33.0680 176.2034 45 K 4.1181 8.8407 121.6157 58.9966 32.5316 176.5905 46 T 4.8101 7.3763 105.7057 59.3807 71.8846 173.7949 47 K 4.0460 8.2962 120.1378 58.5622 31.6521 178.2172 48 F 4.2194 6.7287 118.0484 59.8143 39.3349 174.4889 *50 E 4.0669 7.5904 123.3892 55.3920 30.7564 175.8884 51 K 3.8848 8.5303 125.1717 57.0345 32.8259 176.4615 52 S 4.5018 9.6294 120.5445 57.4345 63.5699 173.6269 53 G 4.3779 6.6730 104.3231 46.8593 0.0000 170.9401 54 T 5.1986 8.1943 115.6209 62.0092 72.5241 173.4359 55 A 5.2225 8.1743 124.1956 51.3266 23.5934 174.7721 56 E 4.8788 9.0263 117.7272 54.6621 33.7302 175.7395 57 V 4.1255 8.6647 125.3905 63.4848 31.5710 175.4446 58 Q 4.4800 9.3914 127.1568 57.2354 30.1442 176.0141 59 K 4.7023 7.7533 118.0998 54.8124 36.1608 174.7634 60 L 5.1645 8.3699 126.7412 53.4792 45.1617 175.1775 61 Q 4.6984 9.0444 122.7807 54.2507 32.4081 173.8595 62 W 5.7368 8.3390 119.9708 55.3245 32.0528 175.0000 63 E 4.6392 9.7816 119.9121 57.0129 33.4507 175.7393 64 E 3.7137 9.5752 125.2690 58.5742 26.7896 174.7272 65 G 3.2286 7.9913 103.0859 45.8712 0.0000 170.6978 66 R 5.0085 7.7002 117.2059 54.3319 34.3730 174.4276 67 T 5.4136 9.0161 114.8016 60.5249 71.2221 172.2838 68 I 5.3695 8.9269 128.4982 59.2590 40.9097 174.0295 69 I 4.9651 9.1247 123.1521 59.5444 40.9166 174.7926 70 T 5.0742 8.9507 120.6419 62.1515 71.1783 172.6472 71 Y 5.2259 8.4002 124.7644 54.9221 41.9336 174.6317 72 K 4.7908 9.0232 123.0208 54.6519 33.9589 175.1268 73 L 4.7061 9.4725 131.9358 55.6667 41.9479 176.6187 74 T 4.5671 8.7179 117.2455 62.0282 69.8403 174.8125 75 S 4.7090 7.4919 115.0446 58.0483 65.5038 175.2442 76 L 5.0403 8.6222 120.9331 54.4509 43.9720 174.0255 77 H 4.2991 8.8264 124.5580 57.2171 29.3139 178.4643 78 S 4.3565 9.0753 109.0450 57.3569 61.5114 174.7168 79 V 3.7976 7.3197 119.0364 60.5986 30.7171 176.5857 80 N 4.2181 8.7666 124.3169 54.4714 39.6276 174.7702 81 L 4.0240 7.8854 120.1939 54.9268 41.5048 175.4302 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 G 8.34 3.80 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 0.00 0.00 0.00 *4 P 0.00 4.12 0.00 2.12 2.04 0.00 3.73 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 1.85 1.95 0.00 5 V 7.77 4.55 2.01 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 0.58 0.00 0.00 0.61 0.00 0.00 6 E 8.69 4.33 0.00 1.85 1.62 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 2.06 2.11 0.00 7 F 8.32 5.34 0.00 2.95 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 8 N 8.70 5.10 0.00 1.44 2.43 0.00 0.00 6.92 7.16 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 9 T 8.70 4.52 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 1.21 0.00 0.00 10 L 7.51 4.97 0.00 1.47 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.61 4.20 1.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.36 0.42 0.00 0.00 12 V 8.49 4.73 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 0.81 0.00 0.00 0.92 0.00 0.00 13 T 8.70 4.38 4.47 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 1.21 0.00 0.00 14 K 7.95 4.54 0.00 1.82 1.86 0.00 2.04 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.33 7.81 15 G 8.96 4.08 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 0.00 0.00 0.00 16 K 7.50 4.49 0.00 1.91 1.91 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.38 7.81 17 E 7.91 4.61 0.00 2.12 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 2.30 2.05 0.00 18 V 8.81 4.64 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 0.90 0.00 0.00 0.97 0.00 0.00 19 R 8.82 4.59 0.00 1.50 1.58 0.00 3.06 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 20 I 7.91 4.25 1.79 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 1.13 0.53 0.85 0.00 0.00 21 D 7.09 4.29 0.00 2.45 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 22 E 8.62 4.09 0.00 2.09 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 0.00 2.21 2.20 0.00 23 N 7.87 5.01 0.00 2.63 3.00 0.00 0.00 6.69 7.32 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 24 I 7.18 4.66 1.71 0.00 0.00 0.76 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 0.58 0.82 0.00 0.00 25 F 8.85 5.20 0.00 1.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 9.04 5.17 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 1.16 0.00 0.00 27 L 9.21 5.02 0.00 1.92 1.56 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.98 5.10 0.00 2.05 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 2.24 2.37 0.00 29 K 9.72 4.79 0.00 1.72 1.74 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.73 7.81 30 D 8.64 4.71 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.94 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 0.00 0.00 0.00 0.00 32 Y 7.32 3.93 0.00 2.16 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.67 5.04 0.00 1.97 1.83 0.00 3.26 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 34 V 9.18 4.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.52 0.00 0.00 35 Y 8.67 5.00 0.00 2.95 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 36 P 0.00 4.40 0.00 2.09 2.06 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 *38 E 8.55 4.26 0.00 1.94 2.02 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 2.19 2.41 0.00 39 I 7.53 4.52 1.89 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 1.41 0.72 0.92 0.00 0.00 40 P 0.00 5.28 0.00 2.09 2.22 0.00 3.41 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 *42 D 8.43 4.64 0.00 2.71 2.63 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 0.00 43 V 8.48 4.97 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 0.52 0.00 0.00 0.93 0.00 0.00 44 R 9.06 4.83 0.00 1.77 1.94 0.00 2.73 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 45 K 8.84 4.12 0.00 1.86 1.86 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 46 T 7.38 4.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 47 K 8.30 4.05 0.00 1.53 1.68 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.38 7.81 48 F 6.73 4.22 0.00 3.09 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 *50 E 7.59 4.07 0.00 1.98 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 0.00 2.23 2.33 0.00 51 K 8.53 3.88 0.00 1.63 1.41 0.00 1.79 0.00 0.00 1.26 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.35 7.81 52 S 9.63 4.50 0.00 3.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 6.67 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 0.00 0.00 0.00 0.00 54 T 8.19 5.20 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 55 A 8.17 5.22 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 56 E 9.03 4.88 0.00 1.96 1.84 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 2.21 2.28 0.00 57 V 8.66 4.13 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 0.84 0.00 0.00 0.90 0.00 0.00 58 Q 9.39 4.48 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.40 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 59 K 7.75 4.70 0.00 1.77 1.58 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.42 7.81 60 L 8.37 5.16 0.00 1.67 1.43 1.24 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 9.04 4.70 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 62 W 8.34 5.74 0.00 3.21 2.91 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 63 E 9.78 4.64 0.00 2.00 1.90 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 2.21 2.27 0.00 64 E 9.58 3.71 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 65 G 7.99 3.23 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 0.00 0.00 0.00 0.00 66 R 7.70 5.01 0.00 1.77 1.95 0.00 3.05 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 67 T 9.02 5.41 4.61 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 1.50 0.00 0.00 68 I 8.93 5.37 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 1.00 0.00 0.00 69 I 9.12 4.97 1.81 0.00 0.00 0.28 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 1.16 0.73 0.00 0.00 70 T 8.95 5.07 4.24 0.00 0.00 0.00 0.00 0.00 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 71 Y 8.40 5.23 0.00 3.18 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 72 K 9.02 4.79 0.00 1.85 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.38 7.81 73 L 9.47 4.71 0.00 2.16 1.93 1.06 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.72 4.57 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 75 S 7.49 4.71 0.00 3.89 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 76 L 8.62 5.04 0.00 1.54 1.63 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.83 4.30 0.00 3.16 2.93 0.00 5.94 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.08 4.36 0.00 3.93 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 79 V 7.32 3.80 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 0.73 0.00 0.00 0.94 0.00 0.00 80 N 8.77 4.22 0.00 2.69 2.77 0.00 0.00 7.42 7.78 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 81 L 7.89 4.02 0.00 1.74 1.93 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.