NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2192 7.9133 114.0214 61.4165 33.6038 173.9987 3 D 5.3343 8.6643 124.3093 52.6588 43.7527 173.5682 4 Y 5.2632 8.9770 119.0772 56.2708 42.2471 174.3836 5 I 4.7677 8.3917 115.2190 59.5137 40.5390 174.7787 6 V 4.1721 8.5504 125.2958 62.8382 31.9061 176.0773 7 E 4.3091 9.2668 127.3582 56.9002 31.1035 175.9914 8 Y 4.8676 7.7139 115.7148 55.7676 41.8197 175.0370 9 D 4.8042 9.2296 123.4481 55.4271 41.7106 175.3805 10 Y 4.7182 9.0429 123.0808 55.8402 42.4684 173.3844 11 D 4.9841 7.2556 124.9597 51.8458 42.9364 176.2153 12 A 4.3053 8.1744 126.9311 52.6003 18.8754 177.3007 13 V 4.1452 8.6476 121.0285 63.0397 33.1536 175.2933 14 H 5.0916 7.7192 115.2633 53.7068 32.4134 173.9025 15 D 4.4257 8.8838 121.3020 57.2552 40.9493 177.2894 16 D 4.8222 8.1254 116.9188 53.1605 39.7158 175.2259 17 E 5.2784 7.9838 118.7962 55.5041 31.7213 175.2937 18 L 4.6591 9.0311 122.5814 53.9879 43.0415 176.6937 19 T 4.5626 8.5717 121.1391 63.2678 69.3735 174.1112 20 I 4.9267 9.0308 119.3893 59.2539 41.5511 174.4735 21 R 5.2437 9.2033 121.8929 53.9654 34.4733 175.0088 22 V 3.6603 8.9077 122.0305 65.0788 31.7678 176.3856 23 G 4.0104 8.7430 115.6978 45.1527 0.0000 173.6353 24 E 4.1600 8.1924 120.0576 56.4614 30.7235 175.9650 25 I 4.6645 8.2345 124.1980 60.1293 38.8609 174.9902 26 I 4.5397 8.9178 128.9619 59.8872 38.7814 175.1035 27 R 4.8595 9.0104 124.2572 54.8143 31.8362 175.4281 28 N 4.1436 8.7194 117.9846 54.8404 37.5575 174.4418 29 V 4.2520 8.2553 118.3531 62.8281 33.0085 176.2262 30 K 4.7734 9.2362 126.8342 54.1767 35.5305 175.8342 31 K 4.3758 8.7296 123.2073 56.5159 32.6841 176.0836 32 L 4.6736 7.7199 124.7754 53.2081 43.8955 176.4381 33 Q 4.1171 8.7866 122.7467 58.8755 28.9584 177.7765 34 E 3.9427 7.9992 116.5487 56.3430 29.9193 176.1715 35 E 4.0224 8.7115 124.8083 57.2416 30.4164 176.6238 36 G 4.2949 9.2058 113.4400 45.3783 0.0000 172.0958 37 W 5.0007 7.8509 118.1702 54.4560 33.2049 174.3270 38 L 4.8963 8.4565 122.2606 52.6990 45.4552 174.8774 39 E 5.0623 8.3825 121.7314 54.7582 32.6246 175.0825 40 G 4.4309 8.8952 111.9553 45.9401 0.0000 170.9286 41 E 5.3133 9.1179 120.9998 54.1879 32.4357 174.5673 42 L 4.7151 8.8484 128.5327 53.6829 45.6275 175.6233 43 N 4.2699 9.7171 125.6599 54.8593 37.1413 174.3730 44 G 3.9579 8.3117 101.6200 45.8056 0.0000 172.9231 45 R 4.7095 7.8284 119.1979 54.3340 33.4601 174.2757 46 R 5.1100 8.4839 124.1131 55.2033 32.3313 175.5017 47 G 4.1422 8.6920 108.3998 46.2472 0.0000 172.2104 48 M 5.2185 8.9488 120.2644 54.9373 33.9982 175.8164 49 F 4.7222 8.1977 113.5826 55.7302 41.8414 171.4064 50 P 3.6699 0.0000 0.0000 61.2267 32.1418 176.8504 51 D 4.4900 8.3662 120.6019 55.6906 39.5890 177.3209 52 N 4.8159 8.1428 115.7756 53.5489 37.5953 175.0933 53 F 4.8655 8.4014 117.0371 57.8751 40.7987 175.2299 54 V 5.1137 7.7445 109.7135 59.4310 36.0499 174.8146 55 K 4.6776 9.2253 122.2071 54.5886 35.5611 174.9826 56 E 2.8067 8.5072 128.4995 55.9261 30.2991 175.9639 57 I 4.0321 8.0717 128.4803 60.5740 37.8396 176.3336 58 K 4.1212 8.4090 125.8500 56.4760 32.5998 176.1115 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 V 7.91 4.22 2.21 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 0.73 0.00 0.00 1.12 0.00 0.00 3 D 8.66 5.33 0.00 2.71 2.68 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 4 Y 8.98 5.26 0.00 2.79 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 5 I 8.39 4.77 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.17 0.90 0.00 0.00 6 V 8.55 4.17 2.18 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 1.02 0.00 0.00 0.87 0.00 0.00 7 E 9.27 4.31 0.00 1.51 1.34 0.00 0.00 0.00 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 2.23 0.00 8 Y 7.71 4.87 0.00 2.77 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 9 D 9.23 4.80 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 9.04 4.72 0.00 2.37 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 11 D 7.26 4.98 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.17 4.31 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 13 V 8.65 4.15 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 0.63 0.00 0.00 0.89 0.00 0.00 14 H 7.72 5.09 0.00 3.19 3.11 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.88 4.43 0.00 2.68 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 16 D 8.13 4.82 0.00 2.86 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 17 E 7.98 5.28 0.00 2.10 2.39 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 2.44 2.55 0.00 18 L 9.03 4.66 0.00 1.81 1.67 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.57 4.56 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 1.27 0.00 0.00 20 I 9.03 4.93 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.80 0.00 0.00 21 R 9.20 5.24 0.00 1.77 1.80 0.00 3.34 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 22 V 8.91 3.66 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 0.66 0.00 0.00 0.96 0.00 0.00 23 G 8.74 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 24 E 8.19 4.16 0.00 2.14 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 2.31 2.28 0.00 25 I 8.23 4.66 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 1.34 0.80 0.99 0.00 0.00 26 I 8.92 4.54 1.76 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.53 0.97 0.00 0.00 27 R 9.01 4.86 0.00 1.90 2.07 0.00 2.94 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 28 N 8.72 4.14 0.00 2.87 2.89 0.00 0.00 7.11 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 29 V 8.26 4.25 2.38 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 0.39 0.00 0.00 1.06 0.00 0.00 30 K 9.24 4.77 0.00 1.65 1.64 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.55 7.81 31 K 8.73 4.38 0.00 1.64 1.74 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.41 7.81 32 L 7.72 4.67 0.00 1.91 1.52 0.88 0.68 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 33 Q 8.79 4.12 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 34 E 8.00 3.94 0.00 1.88 1.85 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 2.02 2.24 0.00 35 E 8.71 4.02 0.00 1.96 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 2.32 2.28 0.00 36 G 9.21 4.29 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 0.00 37 W 7.85 5.00 0.00 3.13 2.97 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 38 L 8.46 4.90 0.00 0.27 0.88 0.51 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.38 5.06 0.00 1.95 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 0.00 2.22 2.23 0.00 40 G 8.90 4.43 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 0.00 0.00 0.00 41 E 9.12 5.31 0.00 2.06 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 2.22 2.24 0.00 42 L 8.85 4.72 0.00 1.68 1.43 0.95 0.32 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 43 N 9.72 4.27 0.00 2.83 2.81 0.00 0.00 7.21 7.98 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 44 G 8.31 3.96 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 0.00 0.00 0.00 45 R 7.83 4.71 0.00 1.91 1.87 0.00 3.10 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 46 R 8.48 5.11 0.00 1.76 1.87 0.00 3.32 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 47 G 8.69 4.14 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 0.00 0.00 0.00 48 M 8.95 5.22 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 49 F 8.20 4.72 0.00 2.82 3.06 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 0.00 0.00 0.00 0.00 50 P 0.00 3.67 0.00 1.92 0.59 0.00 2.85 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 51 D 8.37 4.49 0.00 2.97 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 52 N 8.14 4.82 0.00 2.74 2.93 0.00 0.00 5.94 7.43 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 53 F 8.40 4.87 0.00 3.13 3.39 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 0.00 54 V 7.74 5.11 2.36 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 0.53 0.00 0.00 1.25 0.00 0.00 55 K 9.23 4.68 0.00 1.78 1.58 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.34 7.81 56 E 8.51 2.81 0.00 1.19 1.49 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 1.98 1.75 0.00 57 I 8.07 4.03 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.88 0.00 0.00 58 K 8.41 4.12 0.00 1.63 1.62 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.36 7.81