NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4199 8.3049 120.3271 55.0200 32.5993 175.1668 2 K 4.1942 8.3643 123.6403 55.3714 33.3860 175.1869 3 S 4.5961 9.0246 116.0711 59.3887 63.6490 174.5682 4 T 4.3833 7.8618 112.5872 63.7310 68.8261 175.5633 5 G 3.7895 8.3150 106.9550 46.8461 0.0000 174.1576 6 I 4.5227 7.4619 117.8980 59.1077 40.1280 176.3682 7 V 4.1587 8.1173 117.3646 60.6582 32.7569 175.5191 8 R 4.6897 8.0028 121.3400 54.0209 33.2167 174.9464 9 K 4.1622 8.4481 122.1655 56.8750 34.3289 175.2228 10 V 3.4422 8.5661 121.9093 63.7843 30.3098 176.2768 11 D 4.4523 8.4481 112.7467 53.5042 44.5326 175.5893 12 E 4.0011 9.0677 123.0538 58.8426 29.5365 178.1407 13 L 4.4166 9.0121 116.2898 53.7657 42.1528 173.6701 14 G 3.6502 8.9202 113.2529 45.3128 0.0000 172.7977 15 R 4.3772 7.8908 124.6134 54.4228 32.8562 174.9257 16 V 3.7114 8.3628 125.7964 61.1530 31.3560 175.9431 17 V 3.6528 8.3076 125.8753 62.4091 31.6952 175.1990 18 I 4.2649 8.1360 128.7690 59.1116 37.5791 174.4915 19 P 4.3990 0.0000 0.0000 62.3251 33.1700 176.9527 20 I 3.6836 8.4180 121.7079 65.1542 37.0244 178.4462 21 E 3.9743 8.1611 118.3302 59.3701 29.2956 179.1719 22 L 3.9509 7.8340 119.8764 58.1009 42.1504 178.7883 23 R 3.8960 8.3511 119.0810 59.6130 29.7944 178.7764 24 R 4.0145 7.9849 116.8832 59.2926 30.0927 178.8682 25 T 4.0575 7.9835 115.5029 66.6471 68.5462 176.5595 26 L 4.2429 7.9882 120.0249 55.6374 41.5929 178.1430 27 G 3.9314 7.7234 105.7889 46.0139 0.0000 173.0601 28 I 4.0796 7.6564 111.6912 59.2407 39.3360 175.0471 29 A 4.5897 8.8505 126.5189 50.5670 21.1252 177.0253 30 E 4.5463 8.4729 114.7378 56.7363 29.3966 177.6038 31 K 4.6016 7.7522 116.8322 56.9645 34.0660 176.0131 32 D 4.9544 7.8967 121.1028 53.3517 42.9045 175.2299 33 A 4.8412 8.1233 120.5202 51.7321 22.5714 176.2746 34 L 4.8689 8.2723 118.1427 53.0725 45.7606 175.6834 35 E 4.3857 9.1619 125.3501 55.2543 31.0218 174.8326 36 I 4.6233 8.4497 128.6387 60.3574 38.4676 174.1597 37 Y 5.0811 9.1378 129.0259 55.5714 42.5635 174.2118 38 V 4.7610 6.5365 118.8599 59.9139 34.7429 174.6280 39 D 4.5580 8.9752 123.5009 53.0301 41.7791 174.7090 40 D 4.6765 8.5725 128.2313 54.6655 39.2346 174.3467 41 E 4.7005 8.3920 117.8393 55.9306 32.6263 175.2776 42 K 4.6258 8.0520 118.5987 54.8388 34.9976 174.9767 43 I 4.4076 8.1914 121.7768 60.9639 38.2215 175.4052 44 I 4.3032 8.9252 129.3075 59.8877 38.4382 174.6661 45 L 4.9766 8.4543 127.9120 53.3881 42.7557 176.4076 46 K 4.7642 8.9519 124.4760 54.0627 34.9492 176.5993 47 K 4.8348 8.5621 123.6873 56.3803 33.8105 175.8134 48 Y 4.3384 8.8180 118.2964 57.0921 38.7556 176.2046 49 K 4.0906 8.5001 122.3373 54.4995 31.9781 174.6197 50 P 4.2307 0.0000 0.0000 64.6946 31.5604 177.6685 51 N 4.2898 8.0917 113.0071 54.0169 37.5569 173.2573 52 M 4.6628 7.3224 112.4227 53.8507 35.5973 174.5934 53 T 3.9473 8.3266 115.7705 61.3416 69.6194 173.6902 54 C 4.2403 8.5378 123.8357 59.8798 31.3982 173.4680 55 Q 4.1446 8.3935 125.4498 56.1565 29.3531 175.3399 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 M 8.30 4.42 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.36 4.19 0.00 1.83 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.47 7.81 3 S 9.02 4.60 0.00 3.86 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 4 T 7.86 4.38 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 5 G 8.32 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 6 I 7.46 4.52 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 1.42 0.72 0.91 0.00 0.00 7 V 8.12 4.16 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 0.63 0.00 0.00 0.93 0.00 0.00 8 R 8.00 4.69 0.00 1.70 1.73 0.00 3.25 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 9 K 8.45 4.16 0.00 1.90 1.80 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 10 V 8.57 3.44 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 0.84 0.00 0.00 0.93 0.00 0.00 11 D 8.45 4.45 0.00 2.78 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 0.00 0.00 0.00 0.00 12 E 9.07 4.00 0.00 1.99 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 0.00 2.32 2.29 0.00 13 L 9.01 4.42 0.00 1.71 1.65 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.92 3.65 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 0.00 0.00 0.00 15 R 7.89 4.38 0.00 1.73 1.77 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 16 V 8.36 3.71 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 0.71 0.00 0.00 0.94 0.00 0.00 17 V 8.31 3.65 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 0.82 0.00 0.00 1.02 0.00 0.00 18 I 8.14 4.26 1.88 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 1.42 0.89 0.92 0.00 0.00 19 P 0.00 4.40 0.00 2.16 1.98 0.00 3.63 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 20 I 8.42 3.68 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 1.64 0.54 0.91 0.00 0.00 21 E 8.16 3.97 0.00 2.05 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 0.00 2.40 2.44 0.00 22 L 7.83 3.95 0.00 1.76 1.84 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.35 3.90 0.00 2.06 1.96 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 24 R 7.98 4.01 0.00 1.98 1.98 0.00 3.22 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 25 T 7.98 4.06 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 1.23 0.00 0.00 26 L 7.99 4.24 0.00 1.82 1.82 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.72 3.93 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 0.00 0.00 0.00 28 I 7.66 4.08 1.80 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.99 0.00 0.00 29 A 8.85 4.59 1.16 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 0.00 0.00 30 E 8.47 4.55 0.00 2.07 2.02 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 2.24 2.25 0.00 31 K 7.75 4.60 0.00 1.69 1.74 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.53 7.81 32 D 7.90 4.95 0.00 2.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 4.84 1.22 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 34 L 8.27 4.87 0.00 1.51 1.57 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.16 4.39 0.00 2.07 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 2.30 2.30 0.00 36 I 8.45 4.62 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.93 0.00 0.00 37 Y 9.14 5.08 0.00 2.95 2.83 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 0.00 0.00 0.00 38 V 6.54 4.76 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 0.36 0.00 0.00 0.89 0.00 0.00 39 D 8.98 4.56 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.68 0.00 2.87 2.60 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 0.00 0.00 0.00 0.00 41 E 8.39 4.70 0.00 1.87 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 2.18 2.25 0.00 42 K 8.05 4.63 0.00 1.90 1.87 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.37 7.81 43 I 8.19 4.41 1.88 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 1.33 0.55 0.92 0.00 0.00 44 I 8.93 4.30 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.09 1.01 0.00 0.00 45 L 8.45 4.98 0.00 1.55 1.64 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.95 4.76 0.00 1.77 1.66 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 47 K 8.56 4.83 0.00 1.88 1.89 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.32 1.21 7.81 48 Y 8.82 4.34 0.00 3.03 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 49 K 8.50 4.09 0.00 1.68 1.78 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.47 7.81 50 P 0.00 4.23 0.00 2.14 2.00 0.00 3.61 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.52 0.00 51 N 8.09 4.29 0.00 2.81 2.86 0.00 0.00 6.69 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.32 4.66 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 53 T 8.33 3.95 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 1.21 0.00 0.00 54 C 8.54 4.24 0.00 2.98 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 55 Q 8.39 4.14 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.43 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00