NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2011 8.2544 117.2802 56.2472 31.5880 175.1630 7 I 3.0649 6.4704 117.3413 54.5655 38.3021 172.4665 8 K 4.2930 8.2816 123.3373 55.7418 35.9043 174.3802 9 L 4.1894 8.5044 128.0404 55.1900 43.0804 175.2308 10 L 5.3525 7.9652 126.2595 55.8557 43.6318 175.0680 11 L 3.8297 9.0188 119.8689 55.1963 40.4477 173.7698 12 E 4.0198 8.5700 121.2614 56.8205 29.8635 175.0057 13 C 4.9427 8.0060 115.6118 59.0255 31.6637 173.0361 14 T 4.6877 7.3790 117.2498 61.6812 67.9534 175.1594 15 E 4.2632 8.6836 127.0774 55.2957 34.2166 176.2205 16 C 4.7821 9.6305 118.5242 59.3735 34.2930 171.7952 17 K 3.7183 8.9949 124.3408 55.4499 28.3175 175.1610 18 R 5.0834 8.6671 129.6211 57.4642 31.0997 175.0536 19 R 3.7251 5.9373 116.3788 58.0247 29.1696 173.3054 20 N 3.9488 8.8259 129.8621 53.7760 42.5623 175.1150 21 Y 3.9819 9.0849 111.0562 57.7131 40.5342 178.2044 22 A 4.6813 7.4946 124.2153 51.8861 19.3372 178.5948 23 T 4.3342 8.5631 122.0911 65.4405 67.0842 173.5204 24 E 3.8104 6.9756 116.9824 54.9113 28.9627 172.6941 25 K 5.2601 7.3405 132.2433 56.9171 32.4810 172.1768 26 N 4.5928 8.1050 121.9549 54.9169 40.6407 174.8389 27 K 4.1340 7.9375 111.0087 58.1403 33.7302 174.2130 28 R 4.7413 9.0099 120.6630 54.2841 33.0560 175.8844 29 N 5.1571 8.6958 115.1418 52.4545 36.8519 175.1049 30 T 4.3734 8.1714 112.0502 62.8978 71.6947 172.5231 31 P 3.5481 0.0000 0.0000 60.2467 33.2409 177.1454 32 N 4.6093 9.9366 129.9575 53.7120 38.0396 172.1794 33 K 4.7159 7.3572 116.5821 54.4047 35.2131 174.4528 34 L 3.9616 9.1630 125.3250 56.8693 38.9224 180.1602 35 E 2.8157 8.2651 118.6852 52.6511 31.1316 177.9355 36 L 4.2267 8.0477 123.9067 55.7631 40.6321 175.1331 37 R 3.9641 7.8834 118.8228 56.3016 30.3075 175.9496 38 K 5.2593 8.4545 123.9472 56.5843 34.1155 176.1495 39 Y 4.3859 8.3775 117.9570 57.3859 40.9810 174.8265 40 C 4.9674 8.8104 110.6802 58.1381 32.8112 172.2024 41 P 4.3369 0.0000 0.0000 63.2023 32.6094 176.7181 42 W 3.9707 8.5568 126.5555 55.6317 27.5030 177.3046 43 C 4.7275 7.6634 113.4304 60.4189 29.3979 171.6833 44 R 3.9965 9.4464 130.1246 55.6344 29.9544 174.9746 45 K 3.9550 7.9242 118.0548 57.1026 31.2600 174.5349 46 H 4.7471 8.3537 115.6657 56.2393 30.5433 173.3387 47 T 4.5937 8.7259 116.5056 63.1580 72.9259 175.6587 48 V 3.5850 8.4190 121.3987 64.9355 31.9416 172.5067 49 H 4.4069 8.5295 125.6572 54.2158 28.7036 174.3980 50 R 4.3736 8.7680 115.2615 56.3992 31.4085 173.5213 51 E 3.7043 8.0826 123.1105 52.1278 30.7590 176.5161 52 V 4.0818 8.2887 126.8753 63.2686 34.6617 174.6125 53 K 5.2140 7.8107 121.2428 56.1735 32.4226 176.2570 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 6 R 8.25 4.20 0.00 1.93 2.13 0.00 3.02 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 7 I 6.47 3.06 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 1.46 0.40 0.91 0.00 0.00 8 K 8.28 4.29 0.00 1.73 1.72 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.30 7.81 9 L 8.50 4.19 0.00 1.71 1.57 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.97 5.35 0.00 1.75 1.51 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 L 9.02 3.83 0.00 1.71 2.03 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.57 4.02 0.00 2.09 2.05 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 2.29 2.19 0.00 13 C 8.01 4.94 0.00 2.97 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 14 T 7.38 4.69 4.21 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 1.27 0.00 0.00 15 E 8.68 4.26 0.00 1.74 1.48 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 0.00 2.04 2.03 0.00 16 C 9.63 4.78 0.00 2.93 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 17 K 8.99 3.72 0.00 1.90 1.79 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.44 7.81 18 R 8.67 5.08 0.00 2.00 1.70 0.00 3.03 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.26 0.00 19 R 5.94 3.73 0.00 1.78 1.86 0.00 3.29 0.00 0.00 3.98 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 20 N 8.83 3.95 0.00 2.61 2.40 0.00 0.00 7.22 7.54 0.00 0.00 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 Y 9.08 3.98 0.00 2.90 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 22 A 7.49 4.68 1.04 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 0.00 0.00 0.00 0.00 0.00 23 T 8.56 4.33 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 1.08 0.00 0.00 24 E 6.98 3.81 0.00 2.39 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 2.24 2.30 0.00 25 K 7.34 5.26 0.00 1.81 1.86 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.20 7.81 26 N 8.10 4.59 0.00 2.72 2.73 0.00 0.00 7.06 6.75 0.00 0.00 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 K 7.94 4.13 0.00 1.92 2.10 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.39 7.81 28 R 9.01 4.74 0.00 1.94 1.82 0.00 3.28 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 29 N 8.70 5.16 0.00 2.81 2.90 0.00 0.00 6.21 7.71 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 30 T 8.17 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 31 P 0.00 3.55 0.00 2.34 1.65 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 N 9.94 4.61 0.00 3.02 3.12 0.00 0.00 6.27 7.23 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 33 K 7.36 4.72 0.00 1.70 1.61 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.33 7.81 34 L 9.16 3.96 0.00 1.79 1.75 0.93 0.67 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 35 E 8.27 2.82 0.00 2.17 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 0.00 2.32 2.47 0.00 36 L 8.05 4.23 0.00 1.82 1.99 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.88 3.96 0.00 1.82 2.00 0.00 3.34 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 38 K 8.45 5.26 0.00 2.15 1.85 0.00 1.21 0.00 0.00 2.38 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 39 Y 8.38 4.39 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.81 4.97 0.00 2.89 2.30 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 41 P 0.00 4.34 0.00 2.25 2.26 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 42 W 8.56 3.97 0.00 3.17 2.46 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 0.00 0.00 0.00 0.00 43 C 7.66 4.73 0.00 2.53 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 44 R 9.45 4.00 0.00 2.01 2.08 0.00 3.13 0.00 0.00 3.70 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 45 K 7.92 3.95 0.00 1.97 2.34 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.46 7.81 46 H 8.35 4.75 0.00 3.12 3.41 0.00 5.94 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 47 T 8.73 4.59 4.46 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 0.00 0.00 0.00 1.24 0.00 0.00 48 V 8.42 3.59 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 0.86 0.00 0.00 0.98 0.00 0.00 49 H 8.53 4.41 0.00 3.70 3.40 0.00 5.85 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.77 4.37 0.00 1.87 1.89 0.00 3.08 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 51 E 8.08 3.70 0.00 2.02 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 2.28 2.36 0.00 52 V 8.29 4.08 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 0.70 0.00 0.00 0.91 0.00 0.00 53 K 7.81 5.21 0.00 1.79 1.84 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.53 7.81