NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3371 8.3049 118.1960 54.7781 32.4774 174.4236 2 K 3.9345 8.4283 119.1969 55.7883 31.1654 175.7634 3 R 4.2746 8.3670 124.2196 55.9176 32.1935 176.3541 4 T 3.9938 8.4549 112.2005 64.5217 67.5223 174.4838 5 W 4.5450 8.1302 131.9204 56.5822 29.8563 175.4444 6 Q 4.1237 7.6347 126.0802 52.8759 28.4278 174.1243 7 P 3.4591 0.0000 0.0000 62.5855 32.1966 176.9051 8 N 4.3605 7.9124 115.8579 51.9409 41.7567 175.5545 9 R 3.9701 8.4810 128.2624 59.1920 30.3267 178.9901 10 R 3.8407 7.8511 118.0070 59.2560 30.3003 177.8856 11 K 3.7583 8.1092 119.0561 59.7419 31.9154 178.0757 12 R 3.9708 8.0138 118.1992 59.5947 30.1592 178.2633 13 A 4.0373 8.1126 120.3984 55.1542 18.2202 179.5427 14 K 4.0078 8.5129 117.1275 58.9948 32.2258 178.2894 15 T 4.2945 7.6368 114.6211 65.2738 69.4921 175.3398 16 H 4.7548 8.1950 114.7177 55.2633 29.7310 175.6655 17 G 3.9358 7.7535 109.4566 45.2461 0.0000 174.5998 18 F 3.9596 9.0061 121.5154 61.3155 39.5476 177.2358 19 R 4.2886 8.3299 116.7525 59.3965 29.9997 178.3191 20 A 3.9957 8.1244 119.7424 55.6906 18.3921 179.6512 21 R 4.0835 8.5296 116.1584 59.2740 29.8933 178.5361 22 M 4.1106 7.7057 116.9099 56.7363 32.4093 178.0729 23 R 3.9829 8.2247 119.2100 58.0821 30.8433 176.3485 24 T 4.5133 7.1746 112.4984 59.7934 68.8603 173.4519 25 P 4.3694 0.0000 0.0000 65.3502 31.6284 178.9874 26 G 3.7539 8.2542 106.3468 47.8483 0.0000 175.4677 27 G 4.2634 8.0589 109.5915 47.2395 0.0000 175.2531 28 R 3.8531 8.2760 120.9488 58.8811 30.0533 179.3429 29 K 3.9618 7.9551 117.9848 59.2156 32.0342 179.4735 30 V 3.5427 7.8201 118.5895 65.9572 31.3847 177.7761 31 L 3.8641 7.8702 118.1286 57.8722 41.4198 179.1993 32 K 3.8593 8.0962 119.1819 59.6778 32.0647 178.8659 33 R 3.9100 8.2364 118.3632 59.4410 30.0516 179.2453 34 R 3.9468 8.5129 118.0684 59.2958 30.0213 179.4803 35 R 3.9461 8.3978 118.2088 59.1592 29.9004 178.6927 36 Q 3.9253 8.1501 118.4166 59.2930 29.2131 178.3098 37 K 4.0892 7.9441 118.8063 57.4873 32.2266 176.7213 38 G 3.8952 7.9588 106.5089 46.2159 0.0000 174.0669 39 R 4.1450 7.7903 117.6666 55.8692 30.5472 177.5303 40 W 4.5540 8.6808 119.6302 58.2872 29.7772 176.9928 41 R 4.5377 7.7373 116.9406 54.2616 31.3778 175.5082 42 L 4.2390 8.6314 123.0326 56.4343 41.9144 177.5111 43 T 4.3136 7.4114 109.7817 60.3045 70.6950 170.9872 44 P 4.2659 0.0000 0.0000 62.9486 31.8782 176.1926 45 A 4.4766 8.2808 124.2952 51.8870 19.7464 176.5729 46 V 4.6374 7.7939 117.1133 62.3323 35.5379 175.7117 47 R 4.6392 7.9646 121.9504 55.7415 28.8405 176.8678 48 K 4.4968 8.7597 128.1959 57.3425 31.7633 175.4634 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 4.34 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 K 8.43 3.93 0.00 1.85 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 R 8.37 4.27 0.00 1.85 1.97 0.00 3.39 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 8.45 3.99 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 1.29 0.00 0.00 5 W 8.13 4.54 0.00 3.37 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.63 4.12 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.73 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 7 P 0.00 3.46 0.00 1.94 2.03 0.00 3.46 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 8 N 7.91 4.36 0.00 2.59 2.48 0.00 0.00 7.08 7.65 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 9 R 8.48 3.97 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 10 R 7.85 3.84 0.00 1.87 1.91 0.00 3.21 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 11 K 8.11 3.76 0.00 1.86 1.93 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.59 7.81 12 R 8.01 3.97 0.00 2.18 2.16 0.00 3.56 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 13 A 8.11 4.04 1.42 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 0.00 0.00 14 K 8.51 4.01 0.00 1.90 1.97 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 15 T 7.64 4.29 4.28 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 0.86 0.00 0.00 16 H 8.20 4.75 0.00 3.17 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.75 3.94 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 0.00 0.00 0.00 18 F 9.01 3.96 0.00 3.08 3.04 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 19 R 8.33 4.29 0.00 1.95 2.05 0.00 3.55 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 20 A 8.12 4.00 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.53 4.08 0.00 1.74 1.88 0.00 3.23 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 22 M 7.71 4.11 0.00 1.99 2.34 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.12 0.00 23 R 8.22 3.98 0.00 1.82 1.95 0.00 3.25 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 1.65 1.64 0.00 24 T 7.17 4.51 4.23 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 1.22 0.00 0.00 25 P 0.00 4.37 0.00 2.25 2.16 0.00 3.81 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 1.98 2.02 0.00 26 G 8.25 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.06 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 0.00 0.00 0.00 28 R 8.28 3.85 0.00 1.82 1.99 0.00 3.12 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 29 K 7.96 3.96 0.00 2.00 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.58 7.81 30 V 7.82 3.54 2.16 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 0.83 0.00 0.00 1.00 0.00 0.00 31 L 7.87 3.86 0.00 1.79 1.63 0.71 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.10 3.86 0.00 1.81 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 33 R 8.24 3.91 0.00 2.02 1.96 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 34 R 8.51 3.95 0.00 1.93 2.00 0.00 3.29 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 1.80 1.82 0.00 35 R 8.40 3.95 0.00 2.00 1.99 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 36 Q 8.15 3.93 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 37 K 7.94 4.09 0.00 1.80 1.91 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 7.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.79 4.14 0.00 2.03 1.94 0.00 3.32 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 40 W 8.68 4.55 0.00 3.24 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 41 R 7.74 4.54 0.00 1.87 2.07 0.00 3.19 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 42 L 8.63 4.24 0.00 1.74 1.75 1.00 0.93 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 43 T 7.41 4.31 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 P 0.00 4.27 0.00 2.15 2.02 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 45 A 8.28 4.48 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 46 V 7.79 4.64 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 47 R 7.96 4.64 0.00 1.86 0.93 0.00 3.48 0.00 0.00 3.24 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 48 K 8.76 4.50 0.00 1.76 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.51 7.81