NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4032 8.1476 120.3454 55.3308 34.8538 177.0901 2 E 3.8272 7.8495 117.8099 57.6772 29.8200 177.2739 3 T 4.6195 8.2778 110.6093 63.2927 69.2567 177.6365 4 I 3.8915 8.0319 117.3365 64.1857 37.9814 177.8593 5 T 3.6417 7.6882 117.0768 66.5776 68.1475 175.9653 6 Y 4.2645 7.4750 118.2474 61.3084 38.0865 178.5182 7 V 3.7473 7.8309 118.4926 65.5383 31.4480 177.9458 8 F 4.2443 9.3358 122.0391 61.7524 39.2175 176.6200 9 I 3.3722 7.9886 119.4647 63.9694 36.6050 178.4131 10 F 3.6347 8.3580 122.1042 61.5163 39.9773 177.5322 11 A 4.2106 8.1674 120.6915 54.7670 18.0639 179.0848 12 C 3.7049 8.1151 114.8629 63.0485 28.1868 177.0213 13 I 3.3399 7.6423 121.4180 63.9567 36.4350 178.1647 14 I 3.2370 7.9194 119.6321 63.5232 37.7630 177.3237 15 A 4.0848 7.3046 120.2323 53.4206 18.0596 178.3472 16 L 4.0060 7.2824 118.1088 56.3081 42.0055 178.3202 17 F 4.7277 7.6006 117.1366 61.3909 39.2952 176.3469 18 F 4.0380 8.0726 119.5566 61.4706 38.8662 176.8213 19 F 3.8869 8.8384 115.7007 60.9151 39.1056 177.8489 20 A 4.3300 7.7306 117.3166 54.3259 18.1385 178.6316 21 I 4.2816 7.3141 116.8799 62.8557 38.5120 176.8274 22 F 4.8639 8.2749 116.2729 58.3250 39.5387 176.4990 23 F 5.0374 8.5941 119.4623 56.8882 39.5481 175.6540 24 R 4.1946 8.0533 116.3341 55.5025 30.1506 175.5990 25 E 4.0527 8.6203 121.2083 55.1731 29.8249 175.0200 26 P 4.3592 0.0000 0.0000 61.9083 31.9728 174.2968 27 P 4.3220 0.0000 0.0000 62.3922 31.1368 176.3596 28 R 4.2661 8.2848 123.9223 54.3028 29.6651 177.0331 29 I 3.9538 8.0883 124.7274 61.6105 35.6739 176.7993 30 T 4.2075 7.9999 120.7181 63.5284 69.2653 174.2605 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 8.15 4.40 0.00 2.03 1.97 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 2.46 0.00 2 E 7.85 3.83 0.00 2.16 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 2.37 2.45 0.00 3 T 8.28 4.62 4.39 0.00 0.00 0.00 0.00 0.00 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 4 I 8.03 3.89 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.01 0.92 0.00 0.00 5 T 7.69 3.64 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 6 Y 7.48 4.26 0.00 3.24 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.75 2.32 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 0.98 0.00 0.00 0.88 0.00 0.00 8 F 9.34 4.24 0.00 2.94 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 9 I 7.99 3.37 2.10 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 1.42 0.71 0.85 0.00 0.00 10 F 8.36 3.63 0.00 3.25 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.21 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 12 C 8.12 3.70 0.00 2.27 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 13 I 7.64 3.34 1.63 0.00 0.00 0.66 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 0.28 0.14 0.00 0.00 14 I 7.92 3.24 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.85 0.00 0.00 15 A 7.30 4.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.01 0.00 1.52 1.44 0.77 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.60 4.73 0.00 3.37 2.89 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 0.00 0.00 0.00 18 F 8.07 4.04 0.00 2.86 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 3.89 0.00 3.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.33 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.28 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 1.19 0.00 0.00 22 F 8.27 4.86 0.00 2.48 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 23 F 8.59 5.04 0.00 2.65 2.84 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 0.00 0.00 0.00 24 R 8.05 4.19 0.00 1.96 2.18 0.00 3.12 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 25 E 8.62 4.05 0.00 1.97 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 2.30 0.00 26 P 0.00 4.36 0.00 2.20 2.02 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 27 P 0.00 4.32 0.00 2.20 2.13 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 28 R 8.28 4.27 0.00 1.81 1.94 0.00 3.36 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 29 I 8.09 3.95 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 1.41 0.46 0.91 0.00 0.00 30 T 8.00 4.21 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