NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3162 8.2649 123.5820 51.8444 20.5488 176.2115 2 V 4.3289 7.2725 105.7691 57.4621 35.7102 172.6778 3 Q 3.8959 8.8081 118.1391 57.6140 29.0791 176.8448 4 Q 4.5028 8.4185 121.6277 55.2279 29.3422 174.2449 5 N 4.3692 7.3763 110.5589 52.6532 41.7283 173.8071 6 K 4.2935 8.6630 126.8609 55.0104 32.8262 174.7836 7 P 4.3913 0.0000 0.0000 63.0634 31.8747 176.7975 8 T 4.4300 8.0942 110.6676 61.3050 72.2959 174.5937 9 R 4.3427 8.2824 115.2593 57.6830 30.3636 178.2487 10 S 4.0716 7.8629 114.0611 61.2972 62.5396 175.7285 11 K 3.9625 8.7349 122.8024 59.3940 31.6873 178.5346 12 R 3.9687 7.4048 118.7066 59.3257 30.0439 178.6142 13 G 3.6776 7.8013 105.5196 48.0201 0.0000 175.3347 14 M 4.0940 7.8743 122.1439 58.2998 31.8916 179.0030 15 R 3.9530 8.0309 116.5718 58.7068 30.4647 177.5622 16 R 4.6752 8.9318 118.8125 55.5635 30.6529 177.9400 17 S 4.2193 7.8852 114.3740 61.8972 62.5704 175.2620 18 H 4.4092 8.1750 117.1577 57.0686 29.2372 175.9859 19 D 4.6734 8.5724 119.2314 54.3810 40.5760 176.0111 20 A 4.2572 7.3413 122.8151 52.2029 19.5714 179.6659 21 L 4.5068 8.1454 126.5974 54.8041 41.5037 176.4531 22 T 4.3664 7.9777 117.4991 62.1181 69.9925 173.5635 23 A 4.4223 8.2791 129.2288 51.5699 20.3601 176.7738 24 V 4.0422 8.2146 115.4199 62.9061 33.2334 175.6554 25 T 3.0770 7.9151 113.3949 64.5727 64.2614 171.0161 26 S 3.8049 8.0162 119.1152 57.8836 62.7347 171.5277 27 L 4.9582 7.9895 119.5768 53.3050 45.6990 177.2475 28 S 4.8510 8.0898 115.5741 58.0157 66.3904 172.7927 29 V 4.9543 7.9591 117.0918 61.0973 33.9575 173.7835 30 D 4.3971 8.7625 123.8122 54.0935 41.7222 175.8858 31 K 3.9011 8.8982 126.1298 60.0197 31.6790 177.6080 32 T 3.7153 7.5117 112.7871 66.9102 69.4822 178.4192 33 S 4.5342 7.2618 130.7231 58.8612 62.6499 176.2794 34 G 4.1431 8.2187 114.6082 46.2692 0.0000 171.3142 35 E 4.5039 8.1953 120.0671 54.6736 31.2884 175.8661 36 K 5.3809 9.0143 124.5132 56.2774 33.2716 175.7457 37 H 5.2143 8.7771 120.4630 52.9837 32.1205 173.1350 38 L 4.1803 8.7218 119.4776 54.9358 42.0657 177.3460 39 R 3.8873 8.2971 122.2684 57.3957 30.6271 175.6285 40 H 4.2619 9.6118 120.1406 56.6805 25.5887 173.7853 41 H 4.7973 8.3763 113.0431 55.0673 31.0858 171.9075 42 I 4.1725 7.7541 120.3126 59.8568 38.0821 176.3890 43 T 4.1694 8.1201 114.7894 61.0694 69.5184 174.8317 44 A 4.1437 8.4559 122.9621 53.9549 18.5586 177.7816 45 D 5.0306 7.5014 113.4117 52.9527 41.6515 176.9609 46 G 3.6892 8.0091 108.0100 46.2690 0.0000 173.2823 47 Y 4.9735 7.6220 116.4191 56.7721 39.1149 173.8322 48 Y 5.2507 8.0674 120.1947 57.9036 43.2171 176.2481 49 R 4.5921 7.8033 116.7553 56.0161 30.5522 175.1234 50 G 4.2953 9.4695 111.3618 46.7561 0.0000 171.1278 51 R 4.6567 7.7074 117.8239 53.7823 33.3374 174.2733 52 K 4.6896 8.6428 122.4674 55.3318 34.6851 174.7815 53 V 4.1391 8.4295 120.0995 61.8510 32.7470 178.5357 54 I 3.2788 8.3732 114.0237 62.9091 39.1795 175.4365 55 A 4.4055 8.8697 128.6233 52.8306 21.1971 177.6048 56 K 4.1421 7.4170 119.5438 56.8453 32.1167 177.0062 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 A 8.26 4.32 1.31 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 0.00 0.00 0.00 2 V 7.27 4.33 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 0.73 0.00 0.00 0.93 0.00 0.00 3 Q 8.81 3.90 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 4 Q 8.42 4.50 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 5 N 7.38 4.37 0.00 2.66 2.61 0.00 0.00 7.06 6.68 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 6 K 8.66 4.29 0.00 1.75 1.71 0.00 1.67 0.00 0.00 2.36 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.39 0.00 2.08 1.98 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 T 8.09 4.43 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 1.21 0.00 0.00 9 R 8.28 4.34 0.00 2.05 2.21 0.00 2.96 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 10 S 7.86 4.07 0.00 3.91 3.89 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 11 K 8.73 3.96 0.00 1.86 1.79 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 R 7.40 3.97 0.00 2.06 2.07 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 13 G 7.80 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 0.00 0.00 0.00 14 M 7.87 4.09 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 15 R 8.03 3.95 0.00 1.80 2.20 0.00 3.24 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 16 R 8.93 4.68 0.00 1.98 1.94 0.00 3.29 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 17 S 7.89 4.22 0.00 4.02 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 18 H 8.18 4.41 0.00 3.19 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.57 4.67 0.00 2.85 2.69 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 20 A 7.34 4.26 1.23 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 21 L 8.15 4.51 0.00 1.65 1.50 0.92 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 22 T 7.98 4.37 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 1.21 0.00 0.00 23 A 8.28 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.21 4.04 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 0.86 0.00 0.00 0.93 0.00 0.00 25 T 7.92 3.08 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 1.21 0.00 0.00 26 S 8.02 3.80 0.00 4.01 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 27 L 7.99 4.96 0.00 1.48 1.72 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.09 4.85 0.00 3.89 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 29 V 7.96 4.95 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 0.87 0.00 0.00 0.97 0.00 0.00 30 D 8.76 4.40 0.00 2.65 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 31 K 8.90 3.90 0.00 1.76 1.86 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 32 T 7.51 3.72 4.10 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 1.13 0.00 0.00 33 S 7.26 4.53 0.00 3.54 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 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 35 E 8.20 4.50 0.00 1.95 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 2.36 2.25 0.00 36 K 9.01 5.38 0.00 1.79 1.88 0.00 1.13 0.00 0.00 2.42 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.30 7.81 37 H 8.78 5.21 0.00 3.38 3.47 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.72 4.18 0.00 0.82 1.45 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.30 3.89 0.00 1.75 1.87 0.00 3.15 0.00 0.00 3.88 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 40 H 9.61 4.26 0.00 3.40 3.54 0.00 5.97 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.38 4.80 0.00 3.23 3.30 0.00 5.51 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 42 I 7.75 4.17 1.69 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.62 0.81 0.00 0.00 43 T 8.12 4.17 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 1.16 0.00 0.00 44 A 8.46 4.14 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.50 5.03 0.00 3.21 2.93 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 46 G 8.01 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 47 Y 7.62 4.97 0.00 3.11 3.21 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 48 Y 8.07 5.25 0.00 2.82 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 49 R 7.80 4.59 0.00 1.83 1.69 0.00 2.21 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.48 0.00 50 G 9.47 4.30 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 0.00 51 R 7.71 4.66 0.00 1.82 1.87 0.00 3.15 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 52 K 8.64 4.69 0.00 1.80 1.63 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.40 0.79 7.81 53 V 8.43 4.14 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 0.72 0.00 0.00 0.91 0.00 0.00 54 I 8.37 3.28 1.80 0.00 0.00 0.79 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 0.39 0.85 0.00 0.00 55 A 8.87 4.41 1.23 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 56 K 7.42 4.14 0.00 1.77 1.71 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.36 7.81