NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2978 8.2649 123.5814 51.7458 19.8953 176.7474 4 V 3.7128 8.1705 115.1222 61.1041 32.3090 175.5442 5 S 4.5970 8.0543 119.3036 56.8005 62.2173 172.5573 6 V 4.3774 7.5542 120.8034 59.9785 34.1351 174.9612 7 D 4.5776 8.5125 123.7860 53.2876 44.1818 175.9901 8 C 5.0471 8.4529 125.2294 56.0959 40.9115 174.4210 9 S 4.7002 8.2331 108.3140 58.4655 62.3206 173.1068 10 E 5.1041 7.6506 112.8851 56.2107 31.8047 175.7448 11 Y 4.4848 8.1956 115.8640 57.0037 38.7709 175.9394 12 P 4.5790 0.0000 0.0000 61.3343 30.1254 175.6021 13 K 4.3382 7.6989 121.8304 57.7134 32.9613 176.3681 14 C 4.7735 8.5385 125.4457 57.6478 41.2982 174.4579 15 A 4.6855 7.7801 117.6540 51.0686 18.4654 177.0316 16 C 4.9843 7.6185 118.6233 55.5720 43.5630 175.4101 17 T 4.5560 7.8765 113.2429 61.9156 68.5158 171.4758 18 M 4.2992 7.8018 121.1196 55.3323 34.6618 176.9823 19 E 4.3267 8.5067 121.8751 55.8352 31.7917 174.5572 20 Y 4.1438 8.3605 124.0799 56.7293 39.6333 175.7630 21 R 4.6106 7.9905 126.5127 54.4336 33.6520 171.5409 22 P 5.1560 0.0000 0.0000 61.8610 32.7733 175.0600 23 L 5.0758 8.6051 125.1177 53.1101 44.5570 176.8164 24 C 5.3601 8.5820 124.7694 54.5422 44.0084 172.4037 25 G 4.5913 9.2335 111.3439 46.0857 0.0000 171.8053 26 S 4.3763 8.9089 117.8163 60.2193 63.0621 175.0030 27 D 4.7365 8.1552 118.6143 53.0763 39.4432 175.4543 28 N 4.1982 8.0775 115.4952 55.5891 38.1672 173.3913 29 K 4.6903 8.1085 115.6582 54.7023 35.8698 174.7016 30 T 5.0481 8.3795 122.3447 62.5023 69.5111 173.7568 31 Y 4.3157 9.0985 125.2188 56.5840 39.7025 177.7335 32 G 3.3957 8.9415 111.4771 48.1934 0.0000 172.8528 33 N 5.3272 7.5028 114.6378 51.3278 39.2354 175.0451 34 K 4.0358 8.0314 118.5816 59.0637 31.5746 178.8237 35 C 4.3812 8.2221 118.5215 59.7716 38.8866 174.3940 36 N 4.3181 8.6940 118.4312 55.9310 38.5722 176.7072 37 F 3.6001 8.0833 121.9926 61.0956 39.5531 176.5565 38 C 4.4580 8.5433 116.1963 59.6047 35.1058 175.2538 39 C 4.2740 7.9491 119.9392 59.6056 38.8939 175.4530 40 A 3.8387 7.9590 122.0653 54.8555 17.7950 179.7541 41 V 3.4563 7.3486 116.8128 65.6300 31.4085 177.7864 42 V 3.9537 7.5041 115.6873 63.7632 31.6749 176.4509 43 E 4.5527 7.8691 115.0649 56.7460 30.6558 176.8283 44 S 4.5473 7.9495 114.3163 57.5310 63.6308 174.4603 45 N 4.2366 8.2195 119.6134 54.3063 36.7656 174.4631 46 G 3.9222 7.9669 102.3783 45.5220 0.0000 175.0539 47 T 4.0083 7.3104 115.2414 64.0564 67.6309 175.1058 48 L 4.3024 7.6223 122.3933 54.9958 43.2550 176.1685 49 T 4.7444 7.9362 112.1710 60.7361 72.0077 171.7945 50 L 5.1280 8.7944 121.8507 54.2564 44.4664 176.8812 51 S 4.6275 8.5901 117.7897 58.8808 64.8422 173.3564 52 H 4.3587 7.7806 113.8450 54.6513 29.2319 172.4848 53 F 4.4266 7.9151 125.0816 59.2352 38.5561 175.4439 54 G 4.5290 8.2634 120.7338 44.3718 0.0000 171.0515 55 K 3.8332 8.5020 122.6973 56.9068 32.5874 177.2646 56 C 4.6347 8.4934 122.2407 57.4437 41.0433 173.4591 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 3 A 8.26 4.30 1.27 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 0.00 0.00 4 V 8.17 3.71 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 0.58 0.00 0.00 0.97 0.00 0.00 5 S 8.05 4.60 0.00 3.85 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 6 V 7.55 4.38 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 0.75 0.00 0.00 1.10 0.00 0.00 7 D 8.51 4.58 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.45 5.05 0.00 3.00 2.94 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 0.00 0.00 0.00 9 S 8.23 4.70 0.00 3.82 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 10 E 7.65 5.10 0.00 2.10 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 2.16 2.28 0.00 11 Y 8.20 4.48 0.00 2.89 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 12 P 0.00 4.58 0.00 2.20 2.07 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 13 K 7.70 4.34 0.00 1.81 1.74 0.00 1.32 0.00 0.00 0.80 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.49 1.31 7.81 14 C 8.54 4.77 0.00 2.99 3.16 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 0.00 0.00 0.00 0.00 15 A 7.78 4.69 1.21 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 0.00 0.00 16 C 7.62 4.98 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 4.56 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 1.22 0.00 0.00 18 M 7.80 4.30 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 19 E 8.51 4.33 0.00 1.92 1.83 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 2.27 2.39 0.00 20 Y 8.36 4.14 0.00 3.03 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 21 R 7.99 4.61 0.00 1.70 1.68 0.00 3.02 0.00 0.00 3.13 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 22 P 0.00 5.16 0.00 2.31 2.38 0.00 3.92 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 23 L 8.61 5.08 0.00 1.75 1.77 0.77 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.58 5.36 0.00 2.97 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 25 G 9.23 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.91 4.38 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.74 0.00 2.83 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 28 N 8.08 4.20 0.00 2.86 2.92 0.00 0.00 6.82 6.26 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 29 K 8.11 4.69 0.00 2.09 1.94 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.86 1.29 7.81 30 T 8.38 5.05 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 1.27 0.00 0.00 31 Y 9.10 4.32 0.00 3.10 3.02 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 0.00 0.00 0.00 32 G 8.94 3.40 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 0.00 0.00 0.00 0.00 33 N 7.50 5.33 0.00 2.77 2.81 0.00 0.00 6.36 6.46 0.00 0.00 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 K 8.03 4.04 0.00 1.66 1.74 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.25 7.81 35 C 8.22 4.38 0.00 3.10 3.29 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 36 N 8.69 4.32 0.00 3.10 3.17 0.00 0.00 6.87 7.49 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 37 F 8.08 3.60 0.00 2.95 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 38 C 8.54 4.46 0.00 3.26 3.16 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 0.00 0.00 0.00 0.00 39 C 7.95 4.27 0.00 3.24 3.14 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 40 A 7.96 3.84 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 41 V 7.35 3.46 2.20 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 0.93 0.00 0.00 0.72 0.00 0.00 42 V 7.50 3.95 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 0.89 0.00 0.00 0.99 0.00 0.00 43 E 7.87 4.55 0.00 2.15 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 0.00 2.29 2.44 0.00 44 S 7.95 4.55 0.00 4.05 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 45 N 8.22 4.24 0.00 2.89 2.99 0.00 0.00 7.13 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 46 G 7.97 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 0.00 0.00 0.00 47 T 7.31 4.01 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 1.20 0.00 0.00 48 L 7.62 4.30 0.00 1.59 1.34 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.94 4.74 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 1.27 0.00 0.00 50 L 8.79 5.13 0.00 1.30 1.38 0.62 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.59 4.63 0.00 4.18 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 52 H 7.78 4.36 0.00 3.34 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.92 4.43 0.00 3.09 2.99 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 54 G 8.26 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.50 3.83 0.00 1.80 1.83 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.60 7.81 56 C 8.49 4.63 0.00 3.01 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