NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5461 8.3044 120.3305 55.1588 34.4855 176.5991 2 L 4.4440 7.7699 129.6265 54.4845 41.1948 172.5588 3 E 4.8057 8.2333 111.7158 56.0173 36.8221 174.8847 4 P 4.2868 0.0000 0.0000 65.2127 31.7705 177.3623 5 F 4.4108 8.0598 119.5193 59.9496 40.2949 177.1538 6 Q 4.2104 8.1504 119.9354 58.3744 28.8557 177.7309 7 I 3.8281 7.5466 119.3785 62.9437 37.8714 177.5969 8 L 3.8370 7.8651 122.3005 57.9019 41.9245 178.6313 9 S 4.0232 7.5633 113.6441 61.5851 62.8339 176.3727 10 I 3.7891 7.5886 123.6479 64.0616 37.0559 178.3246 11 S 4.1548 8.0818 116.1842 62.0288 62.6149 177.2502 12 S 4.1660 8.3980 116.7972 61.1965 62.8249 176.3461 13 F 3.9767 8.3695 124.4809 61.2412 39.1473 177.2264 14 I 3.7473 7.8604 119.0187 64.1936 36.8811 178.0841 15 L 3.9416 7.8594 120.9315 57.9559 41.9427 178.6685 16 S 4.0025 8.5725 113.4472 61.4439 62.2272 176.2160 17 A 3.8626 7.4974 122.7021 54.9431 18.0804 179.0484 18 L 3.8934 7.7548 118.9886 58.9227 42.1001 178.8649 19 H 4.1964 8.6326 118.2398 58.9415 29.7957 176.8940 20 F 4.0596 8.2574 122.6227 61.5912 39.2909 177.3080 21 I 3.7918 8.2421 119.1889 64.2631 36.9229 178.3135 22 A 4.0249 8.4830 122.1624 54.7887 18.1077 179.5763 23 W 4.0320 8.6390 127.2888 60.9935 30.8060 178.5090 24 T 3.7429 7.7605 115.5671 66.3997 67.6446 176.6273 25 I 3.8089 7.7846 122.1192 64.1762 37.3593 178.5618 26 G 3.4239 8.1061 106.4315 47.8462 0.0000 175.1717 27 H 3.4688 7.7279 119.9952 58.7097 30.2240 176.6708 28 L 4.0337 7.4122 121.6702 58.4672 41.8963 178.7230 29 N 4.2860 8.2700 116.4172 56.2394 38.1507 177.0455 30 Q 3.8632 7.5664 120.6013 58.3421 29.9825 177.1230 31 I 4.1993 7.1377 113.0750 59.2969 37.5036 174.5622 32 K 4.5456 7.3874 123.6111 58.5569 40.2212 174.8078 33 R 4.1103 7.8864 121.2313 56.4108 29.9609 176.4321 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 4.55 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 L 7.77 4.44 0.00 1.71 1.44 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.23 4.81 0.00 2.04 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 2.31 2.31 0.00 4 P 0.00 4.29 0.00 2.28 2.22 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 5 F 8.06 4.41 0.00 3.13 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.21 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 7 I 7.55 3.83 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.91 0.00 0.00 8 L 7.87 3.84 0.00 1.34 0.98 0.67 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.56 4.02 0.00 4.09 4.09 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 0.00 0.00 0.00 10 I 7.59 3.79 1.86 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 1.47 0.66 0.91 0.00 0.00 11 S 8.08 4.15 0.00 3.87 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 12 S 8.40 4.17 0.00 4.03 4.16 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 13 F 8.37 3.98 0.00 3.18 3.28 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 14 I 7.86 3.75 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.78 0.94 0.00 0.00 15 L 7.86 3.94 0.00 1.87 1.63 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.57 4.00 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 3.86 1.07 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 0.00 0.00 18 L 7.75 3.89 0.00 1.85 1.89 0.95 1.01 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 19 H 8.63 4.20 0.00 3.24 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.26 4.06 0.00 3.34 3.22 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 21 I 8.24 3.79 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.87 0.95 0.00 0.00 22 A 8.48 4.02 1.40 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 23 W 8.64 4.03 0.00 3.21 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 24 T 7.76 3.74 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 1.11 0.00 0.00 25 I 7.78 3.81 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.86 0.00 0.00 26 G 8.11 3.42 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 0.00 27 H 7.73 3.47 0.00 1.81 2.84 0.00 5.77 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.41 4.03 0.00 1.76 1.71 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.27 4.29 0.00 2.82 2.78 0.00 0.00 6.64 8.32 0.00 0.00 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 Q 7.57 3.86 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.41 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 31 I 7.14 4.20 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.84 0.00 0.00 32 K 7.39 4.55 0.00 1.64 1.84 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.40 7.81 33 R 7.89 4.11 0.00 1.82 1.79 0.00 3.38 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00