NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.7131 8.4449 118.8232 55.9966 31.9623 175.4519 2 E 4.0791 7.9969 120.5903 54.5569 29.5704 176.5099 3 Y 4.5787 6.9126 118.4050 55.6395 38.5305 174.0996 4 V 4.5541 6.9675 123.7621 63.0571 33.6964 178.8244 5 G 3.8573 8.0829 106.1337 46.2820 0.0000 173.4796 6 L 4.9789 7.7266 117.6207 54.1619 44.1757 176.3764 7 S 5.4533 8.1031 115.4024 56.1395 65.1107 173.5860 8 A 4.3345 8.5810 120.0895 51.8834 15.9583 176.7269 9 N 5.1788 8.1174 132.0302 55.0294 39.6796 176.5998 10 Q 4.1700 7.7795 119.9108 59.1342 29.1721 176.7485 11 C 4.8039 8.3278 114.7283 57.7326 43.7287 173.0414 12 A 4.6533 8.2641 120.4703 52.0308 19.4618 176.3721 13 V 3.7015 7.7290 118.3039 61.2825 31.6970 174.8788 14 P 4.5970 0.0000 0.0000 62.9177 31.0478 176.4874 15 A 3.5387 7.7654 119.9419 51.4170 15.7556 178.3252 16 K 5.3540 6.9692 133.6283 56.6593 34.4350 176.5298 17 D 4.3747 7.5637 113.4855 56.5732 43.2750 174.6314 18 R 4.3488 7.5803 117.4158 55.4965 31.5315 176.0521 19 V 4.0136 8.0624 115.3002 62.4440 31.3624 175.7853 20 D 4.1194 8.0853 110.9808 54.5266 38.4184 173.1730 21 C 3.8029 9.7848 127.0509 57.7154 44.2052 174.5815 22 G 3.7886 7.7809 105.1233 46.5878 0.0000 172.8604 23 Y 4.8991 7.5777 115.8445 56.1111 39.5090 175.4506 24 P 4.6852 0.0000 0.0000 64.3885 31.8363 175.9863 25 H 4.8250 7.9856 118.3051 55.4605 30.4785 173.2722 26 V 3.8758 7.5519 116.9681 62.3990 31.6178 175.4589 27 T 3.9974 8.0098 117.5205 62.1854 72.2354 171.7258 28 P 4.2776 0.0000 0.0000 61.7265 30.6115 175.8857 29 K 4.2590 7.1286 122.7749 56.4180 35.8770 175.1448 30 E 4.3260 7.5042 117.8028 58.5709 30.3041 178.4487 31 C 4.3821 8.0520 116.3424 60.3660 40.2338 176.0184 32 N 4.7127 8.1229 116.7895 54.9740 38.1870 175.7475 33 N 4.6232 7.8840 116.7589 54.8801 39.7785 176.1562 34 R 4.2896 8.2533 118.9285 56.7873 30.3765 176.8319 35 G 4.2160 7.9728 107.4274 45.5375 0.0000 173.3391 36 C 5.3138 9.2486 117.9897 54.9741 43.7898 171.7055 37 C 5.1860 9.0401 119.7396 54.8024 46.0154 172.3455 38 F 5.1881 8.6747 128.4165 57.3595 39.3184 173.5211 39 D 4.4005 8.8647 128.6781 51.9183 39.8433 176.0562 40 S 4.2110 8.4765 117.6272 58.3990 63.0129 170.6720 41 R 3.9949 8.1986 118.3620 58.4039 30.1664 176.6136 42 I 4.4234 8.8416 121.1850 58.7843 38.2202 174.2833 43 P 4.8925 0.0000 0.0000 63.8737 31.4861 177.2364 44 G 3.9144 8.0330 107.1144 46.0918 0.0000 173.1689 45 V 4.3461 7.3014 112.4669 58.1728 34.8624 172.8085 46 P 3.7448 0.0000 0.0000 62.9027 31.3933 175.6610 47 W 4.8528 7.3102 123.7193 56.5327 30.4300 176.6240 48 C 5.7868 8.5381 117.1437 57.3075 43.8080 171.9105 49 F 5.2024 7.4384 122.0055 55.2071 41.2721 173.7194 50 K 4.8978 8.4358 114.2387 54.7407 33.2050 173.8931 51 P 4.5683 0.0000 0.0000 63.8384 30.4727 178.4686 52 L 4.6422 8.9839 116.7173 54.8865 41.8224 178.9153 53 Q 3.9790 8.3761 120.2573 60.0758 29.1946 179.5940 54 E 3.8281 8.6206 116.8944 59.6210 29.1715 178.8422 55 A 3.7901 7.3273 118.8470 55.0215 19.0189 177.5610 56 E 4.9861 7.8526 111.6771 56.0867 31.5631 176.6036 57 C 4.3634 8.0313 119.5720 61.7831 32.2098 174.8533 58 T 3.9224 8.0254 113.8509 64.8292 67.2885 173.6318 59 F 4.0152 8.2804 126.6976 58.4235 39.2407 174.6959 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 E 8.44 4.71 0.00 2.22 2.26 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 2.19 2.31 0.00 2 E 8.00 4.08 0.00 2.06 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 2.22 2.34 0.00 3 Y 6.91 4.58 0.00 3.08 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 4 V 6.97 4.55 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 1.06 0.00 0.00 0.88 0.00 0.00 5 G 8.08 3.86 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 0.00 0.00 0.00 6 L 7.73 4.98 0.00 1.62 1.66 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.10 5.45 0.00 4.11 4.26 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 8 A 8.58 4.33 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 9 N 8.12 5.18 0.00 2.82 2.86 0.00 0.00 6.73 7.14 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 10 Q 7.78 4.17 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.66 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 11 C 8.33 4.80 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.65 1.28 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 0.00 0.00 0.00 13 V 7.73 3.70 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 0.60 0.00 0.00 0.91 0.00 0.00 14 P 0.00 4.60 0.00 2.17 2.16 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 15 A 7.77 3.54 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 16 K 6.97 5.35 0.00 1.89 1.87 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.04 7.81 17 D 7.56 4.37 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 4.35 0.00 1.50 1.77 0.00 2.55 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.23 0.00 19 V 8.06 4.01 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 0.72 0.00 0.00 0.94 0.00 0.00 20 D 8.09 4.12 0.00 2.58 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 21 C 9.78 3.80 0.00 2.91 3.20 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 22 G 7.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.58 4.90 0.00 3.10 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 24 P 0.00 4.69 0.00 2.25 2.25 0.00 4.05 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 25 H 7.99 4.82 0.00 2.99 3.11 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.55 3.88 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 1.20 0.00 0.00 1.58 0.00 0.00 27 T 8.01 4.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 28 P 0.00 4.28 0.00 1.90 1.50 0.00 3.37 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 29 K 7.13 4.26 0.00 1.57 1.70 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.12 1.23 7.81 30 E 7.50 4.33 0.00 2.07 1.92 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 2.25 2.31 0.00 31 C 8.05 4.38 0.00 3.27 3.27 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 0.00 32 N 8.12 4.71 0.00 2.68 2.88 0.00 0.00 7.20 8.06 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 33 N 7.88 4.62 0.00 2.84 2.87 0.00 0.00 6.96 7.60 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 34 R 8.25 4.29 0.00 2.02 1.95 0.00 2.21 0.00 0.00 2.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 0.00 35 G 7.97 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 0.00 0.00 0.00 0.00 36 C 9.25 5.31 0.00 2.94 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 C 9.04 5.19 0.00 2.84 1.92 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 38 F 8.67 5.19 0.00 3.03 2.96 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 39 D 8.86 4.40 0.00 3.10 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 40 S 8.48 4.21 0.00 3.82 4.17 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 41 R 8.20 3.99 0.00 2.00 2.01 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 42 I 8.84 4.42 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 1.37 1.46 0.93 0.00 0.00 43 P 0.00 4.89 0.00 2.25 2.10 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 44 G 8.03 3.91 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 0.00 0.00 0.00 45 V 7.30 4.35 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 0.73 0.00 0.00 0.86 0.00 0.00 46 P 0.00 3.74 0.00 2.08 1.99 0.00 3.41 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 47 W 7.31 4.85 0.00 3.10 2.65 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 0.00 0.00 0.00 0.00 48 C 8.54 5.79 0.00 3.28 3.11 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 49 F 7.44 5.20 0.00 3.06 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 50 K 8.44 4.90 0.00 1.76 1.81 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.53 7.81 51 P 0.00 4.57 0.00 2.37 2.11 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 52 L 8.98 4.64 0.00 1.95 2.03 0.97 0.60 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 53 Q 8.38 3.98 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 54 E 8.62 3.83 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 55 A 7.33 3.79 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 7.85 4.99 0.00 1.92 1.88 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 2.06 2.29 0.00 57 C 8.03 4.36 0.00 3.17 2.95 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 0.00 0.00 0.00 58 T 8.03 3.92 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 1.20 0.00 0.00 59 F 8.28 4.02 0.00 2.96 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