NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3543 8.1133 119.7064 56.5341 32.7069 177.5893 2 M 3.8770 7.9928 117.4970 57.2296 31.8981 176.8212 3 K 4.0695 8.8144 120.5977 59.7069 32.8872 178.1988 4 Q 4.0113 8.0938 117.6991 59.0786 28.5688 178.8768 5 I 3.6783 7.6968 120.5439 64.6007 37.1996 178.3588 6 E 3.9616 8.2433 119.2444 59.4554 29.2216 179.2905 7 D 4.3450 8.2663 118.9499 57.3389 40.8367 178.9530 8 K 4.0068 8.0111 118.9170 59.3684 31.9221 179.4433 9 I 3.6873 8.0085 120.2872 64.4425 37.0415 178.1121 10 E 4.0878 8.1334 119.3353 59.4926 29.3121 179.0877 11 E 3.9148 8.1627 119.0515 59.3914 29.7091 178.8772 12 I 3.6918 8.0361 120.0548 64.4669 37.1808 178.1840 13 E 3.9507 8.4045 119.5682 59.5438 29.2970 179.3657 14 S 4.0858 8.2071 113.0866 61.3423 62.3452 176.2010 15 K 3.9877 8.1392 122.3299 59.4711 31.8495 178.8672 16 Q 3.9933 8.2776 118.5063 58.8372 28.6085 178.8561 17 K 3.9317 8.0827 119.5305 59.3051 32.0487 179.1888 18 K 3.9009 8.0327 119.8479 59.6378 32.0102 178.8942 19 I 3.9639 8.0016 121.6465 63.9894 37.0558 178.2677 20 E 3.9606 8.4241 119.5825 59.5329 29.2703 179.2568 21 N 4.3984 8.2409 116.5990 56.1940 38.5295 177.3412 22 E 3.9929 8.4124 120.2208 59.4648 29.4579 179.5031 23 I 3.8009 8.1090 119.8627 64.1301 37.2799 178.0900 24 A 3.9905 8.0544 121.6641 55.5314 18.3017 179.9998 25 R 3.9031 7.8419 115.8313 59.3284 30.0693 179.3731 26 I 3.7139 8.0056 119.8087 64.3258 37.0530 178.5387 27 K 3.9599 8.3080 119.5257 59.4248 31.9835 179.4972 28 K 3.9334 7.9202 118.2761 59.4522 32.0190 179.2400 29 L 3.9768 7.8409 120.3019 57.9453 42.0477 178.5588 30 L 4.0628 8.2495 122.1224 57.7971 42.0022 179.0130 31 Q 4.0938 8.3960 118.0409 58.9347 28.5061 178.8738 32 L 4.1031 7.8523 119.9399 57.9143 41.5627 179.6155 33 T 3.9334 8.1661 109.9085 64.6612 68.6815 176.6744 34 V 3.6741 7.9402 121.1670 65.5171 31.4816 177.6666 35 W 4.1392 8.3090 128.0455 60.5599 30.4970 178.0635 36 G 3.6928 8.7029 105.7668 47.8696 0.0000 175.7463 37 I 3.6428 7.9615 122.2545 63.9035 37.1205 178.1838 38 K 3.6869 7.9452 120.5363 59.5597 31.8277 178.4592 39 Q 3.4659 7.6430 119.7051 59.0091 28.9327 178.0472 40 L 3.8817 7.7852 120.0763 57.7706 41.6526 179.2766 41 Q 3.8672 8.1072 119.1253 59.1769 28.7824 178.3230 42 A 3.9239 7.7079 120.2067 55.3657 18.5216 179.6109 43 R 3.9824 8.1450 115.6912 58.4389 30.1271 178.2691 44 I 4.2136 7.3238 117.1540 62.5638 38.5956 175.7018 45 L 4.2301 7.7924 122.5593 54.8386 41.6228 176.4406 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 R 8.11 4.35 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 7.99 3.88 0.00 2.14 2.11 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 2.69 2.65 0.00 3 K 8.81 4.07 0.00 1.86 1.80 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.60 7.81 4 Q 8.09 4.01 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 5 I 7.70 3.68 2.03 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 1.52 0.70 0.91 0.00 0.00 6 E 8.24 3.96 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 7 D 8.27 4.35 0.00 2.88 2.71 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 0.00 0.00 0.00 0.00 8 K 8.01 4.01 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 9 I 8.01 3.69 2.02 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 1.52 0.83 0.91 0.00 0.00 10 E 8.13 4.09 0.00 2.18 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 2.33 2.33 0.00 11 E 8.16 3.91 0.00 2.05 2.14 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 2.31 2.35 0.00 12 I 8.04 3.69 2.00 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 1.52 0.60 0.91 0.00 0.00 13 E 8.40 3.95 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 14 S 8.21 4.09 0.00 3.89 4.02 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 15 K 8.14 3.99 0.00 2.10 1.78 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.52 7.81 16 Q 8.28 3.99 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 17 K 8.08 3.93 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.56 7.81 18 K 8.03 3.90 0.00 1.84 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 I 8.00 3.96 1.99 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 1.54 0.98 0.91 0.00 0.00 20 E 8.42 3.96 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 21 N 8.24 4.40 0.00 2.99 2.86 0.00 0.00 7.00 7.81 0.00 0.00 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 E 8.41 3.99 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 23 I 8.11 3.80 2.00 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 0.84 0.91 0.00 0.00 24 A 8.05 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 3.90 0.00 2.03 1.99 0.00 3.13 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 1.64 1.88 0.00 26 I 8.01 3.71 2.01 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 1.53 0.77 0.92 0.00 0.00 27 K 8.31 3.96 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 28 K 7.92 3.93 0.00 2.02 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 29 L 7.84 3.98 0.00 1.80 1.66 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.25 4.06 0.00 1.90 1.87 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.40 4.09 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 32 L 7.85 4.10 0.00 1.97 1.76 0.90 0.40 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 33 T 8.17 3.93 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 1.28 0.00 0.00 34 V 7.94 3.67 2.31 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 1.02 0.00 0.00 1.03 0.00 0.00 35 W 8.31 4.14 0.00 3.51 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.64 1.97 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 1.40 0.68 0.88 0.00 0.00 38 K 7.95 3.69 0.00 1.82 1.61 0.00 1.58 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.36 7.81 39 Q 7.64 3.47 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 40 L 7.79 3.88 0.00 1.78 1.66 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.11 3.87 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 42 A 7.71 3.92 1.24 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 0.00 0.00 0.00 43 R 8.14 3.98 0.00 1.71 1.97 0.00 3.28 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 44 I 7.32 4.21 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.89 0.00 0.00 45 L 7.79 4.23 0.00 1.74 1.54 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00