NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3853 8.1633 120.3428 55.6402 34.4524 177.6271 2 E 3.5003 8.0529 117.9553 58.9926 29.5870 177.2950 3 T 4.0848 8.7676 116.5857 67.0693 68.8853 175.8617 4 I 3.7210 7.7679 120.7371 64.9558 37.0447 178.4998 5 T 3.8644 7.4415 116.2870 66.6405 68.3032 176.5338 6 Y 4.2950 7.9131 119.1205 61.1810 37.9905 178.6133 7 V 3.7296 8.3337 119.6283 65.8489 31.5359 177.4853 8 F 4.2600 8.6070 120.6938 61.6818 39.1326 176.9611 9 I 3.4209 7.7674 118.7850 64.3398 36.9773 177.9992 10 F 4.0274 8.1973 120.6278 61.5011 39.3506 177.0075 11 A 3.8662 8.6342 120.4362 55.3833 18.0511 179.4190 12 C 3.9288 7.9168 115.5186 62.6801 28.0771 176.3477 13 I 3.4487 7.5653 121.7901 64.2538 36.6188 178.5208 14 I 3.0650 7.1410 120.3695 63.8022 36.7716 178.3366 15 A 3.9334 7.6503 121.3979 55.1067 18.2521 178.9615 16 L 4.0081 8.0128 118.7908 58.8310 42.0177 178.9689 17 F 4.2936 8.5466 117.6782 61.3389 38.9302 177.1994 18 F 4.2403 8.5424 119.4099 62.0870 39.0128 176.9633 19 F 3.8659 8.4560 116.4071 60.6922 38.6630 177.8346 20 A 4.0643 8.4001 119.6853 55.1399 18.2580 179.5597 21 I 3.6092 7.6107 117.2831 64.0681 37.3974 177.9236 22 F 4.8273 7.8277 115.2146 57.4322 39.5278 175.8607 23 F 4.8638 8.6258 118.6079 56.8598 39.9583 174.9418 24 R 4.2922 8.0068 117.0816 55.2646 30.8902 175.0902 25 E 4.2802 8.4495 117.7455 54.5954 29.6444 174.9925 26 P 4.0228 0.0000 0.0000 62.4449 31.7281 174.4818 27 P 4.4334 0.0000 0.0000 62.2481 30.6374 175.6673 28 R 4.3384 8.2089 123.2967 55.0051 31.5615 176.9952 29 I 3.9609 8.2142 115.4901 60.6590 38.5318 179.5045 30 T 3.0968 7.7656 107.1272 63.5231 71.8984 174.0168 31 K 4.3134 7.3937 127.2843 55.0405 30.2503 177.4168 32 K 4.1440 7.9480 122.7860 56.1817 32.3169 175.6551 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 8.16 4.39 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 2 E 8.05 3.50 0.00 2.22 1.89 0.00 0.00 0.00 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 2.45 0.00 3 T 8.77 4.08 4.27 0.00 0.00 0.00 0.00 0.00 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 4 I 7.77 3.72 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.67 0.84 0.00 0.00 5 T 7.44 3.86 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 6 Y 7.91 4.29 0.00 3.14 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.33 3.73 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.04 0.00 0.00 8 F 8.61 4.26 0.00 3.14 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 9 I 7.77 3.42 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.86 0.92 0.00 0.00 10 F 8.20 4.03 0.00 3.24 3.32 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 0.00 0.00 0.00 0.00 11 A 8.63 3.87 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 12 C 7.92 3.93 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.57 3.45 1.46 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.30 0.00 0.00 14 I 7.14 3.07 1.53 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.42 0.80 0.00 0.00 15 A 7.65 3.93 1.43 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 0.00 0.00 16 L 8.01 4.01 0.00 1.90 1.95 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.55 4.29 0.00 3.31 3.05 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 0.00 0.00 0.00 18 F 8.54 4.24 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 19 F 8.46 3.87 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.40 4.06 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 21 I 7.61 3.61 1.18 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.48 -0.07 0.00 0.00 22 F 7.83 4.83 0.00 2.64 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.63 4.86 0.00 3.12 3.12 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 0.00 0.00 0.00 0.00 24 R 8.01 4.29 0.00 1.91 2.18 0.00 2.99 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 25 E 8.45 4.28 0.00 1.98 1.94 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 2.30 2.33 0.00 26 P 0.00 4.02 0.00 2.01 2.01 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 27 P 0.00 4.43 0.00 2.16 2.09 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 28 R 8.21 4.34 0.00 1.81 1.88 0.00 3.35 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 29 I 8.21 3.96 1.86 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 1.46 0.48 0.90 0.00 0.00 30 T 7.77 3.10 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 K 7.39 4.31 0.00 1.81 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.37 7.81 32 K 7.95 4.14 0.00 1.79 1.62 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.44 7.81