NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2459 8.2549 119.7051 55.5513 31.8017 174.7211 7 I 3.6841 7.5246 119.3152 60.8150 37.9416 174.6665 8 K 4.1745 9.2594 121.3715 57.1104 33.8259 175.8014 9 L 5.0358 7.9300 118.4680 52.6207 43.9271 175.8112 10 L 4.9074 8.9809 124.4024 52.4242 45.5460 175.6839 11 L 4.6444 8.3444 121.3000 54.9265 41.5475 175.4492 12 E 4.7661 9.2254 125.5452 54.3296 32.6284 174.1444 13 C 5.3441 8.5670 122.7253 58.1321 31.1321 173.4763 14 T 5.1167 8.8497 119.4605 60.9981 68.1833 173.0047 15 E 5.3469 9.3970 129.8237 54.4610 33.4601 173.9552 16 C 5.5288 7.7327 118.6543 55.8418 32.3473 176.4675 17 K 4.4812 8.2858 120.5370 59.8404 27.7813 174.5116 18 R 3.7770 7.6896 113.3128 57.2039 29.9855 176.1826 19 R 4.5166 7.8309 112.5085 52.6020 28.7725 173.3371 20 N 4.4072 8.6308 119.6430 53.4757 38.1443 173.1089 21 Y 5.0889 7.7583 113.4059 56.6008 40.3499 173.7666 22 A 4.6847 10.6000 126.4230 51.9795 21.8885 176.8708 23 T 3.9186 8.2713 109.6704 64.9147 73.5544 172.3960 24 E 3.6098 9.9598 118.8860 58.4260 29.9813 174.3663 25 K 4.0739 7.0593 116.0723 54.1056 30.6625 176.5941 26 N 4.7916 8.9735 116.1815 51.6418 36.2531 175.8069 27 K 4.5488 7.6520 118.8337 56.5818 35.6391 175.3994 28 R 4.6429 8.9480 122.2981 57.1373 28.2046 173.9722 29 N 4.4512 7.4383 106.1159 53.5085 39.1473 177.4253 30 T 3.4728 9.0194 107.6692 64.7581 68.0662 174.6063 31 P 4.6740 0.0000 0.0000 65.9689 31.9932 178.5131 32 N 4.8110 8.1767 119.7040 52.2421 40.4358 176.9296 33 K 3.9400 8.9434 120.1936 58.7306 32.1354 176.1367 34 L 3.8601 7.0845 116.8557 55.0414 41.3950 176.6115 35 E 4.8523 8.5808 119.4782 55.3275 33.0965 177.4859 36 L 3.5176 8.2232 111.3339 57.1434 40.5119 178.1729 37 R 4.6766 8.8613 131.3020 55.1008 29.6200 177.5138 38 K 4.7208 8.7694 118.2714 55.6408 33.9673 174.9631 39 Y 4.0486 8.9429 118.7309 56.8742 37.7330 165.4517 40 C 4.5792 8.5491 123.8712 60.0390 31.2337 170.5937 41 P 4.7008 0.0000 0.0000 61.9998 33.0669 175.4817 42 W 4.6889 8.9832 113.2388 57.0829 28.0818 176.1015 43 C 4.0163 8.1368 117.6472 60.5901 28.6666 174.7946 44 R 3.5863 8.0284 119.9311 57.4907 28.5634 176.1605 45 K 4.4368 8.2634 116.5046 57.6875 33.4757 175.3275 46 H 4.3401 8.3846 118.5251 56.5463 33.2751 175.7031 47 T 3.1474 7.8492 104.8982 61.5533 68.5858 171.9442 48 V 3.4572 7.8741 124.5288 65.4272 30.9641 176.4083 49 H 4.5193 7.9117 125.1302 52.4070 28.3910 175.8044 50 R 4.3701 9.0757 119.7549 52.6271 29.4823 175.7165 51 E 4.6360 8.4476 119.1215 53.2224 28.4509 181.8253 52 V 2.7464 7.1571 115.9613 61.2176 35.8139 174.5172 53 K 4.3229 6.4745 115.8852 55.7602 31.8550 175.0090 54 I 3.9987 8.1967 126.0124 61.0891 37.9431 174.8607 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 6 R 8.25 4.25 0.00 1.81 2.01 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 7 I 7.52 3.68 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 1.29 0.97 0.90 0.00 0.00 8 K 9.26 4.17 0.00 1.83 1.74 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.46 7.81 9 L 7.93 5.04 0.00 1.52 1.55 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.98 4.91 0.00 1.64 1.52 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.34 4.64 0.00 1.60 1.67 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.23 4.77 0.00 1.98 1.90 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 2.31 2.49 0.00 13 C 8.57 5.34 0.00 2.83 2.78 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 14 T 8.85 5.12 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 1.12 0.00 0.00 15 E 9.40 5.35 0.00 2.14 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 16 C 7.73 5.53 0.00 3.02 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 0.00 0.00 0.00 17 K 8.29 4.48 0.00 1.87 2.02 0.00 1.83 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.41 7.81 18 R 7.69 3.78 0.00 1.87 1.96 0.00 3.20 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 19 R 7.83 4.52 0.00 1.92 1.97 0.00 3.51 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 20 N 8.63 4.41 0.00 2.98 3.31 0.00 0.00 6.55 7.48 0.00 0.00 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 Y 7.76 5.09 0.00 2.95 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 10.60 4.68 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.27 3.92 4.10 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 1.21 0.00 0.00 24 E 9.96 3.61 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 25 K 7.06 4.07 0.00 1.84 1.16 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.32 7.81 26 N 8.97 4.79 0.00 2.78 3.19 0.00 0.00 6.61 7.61 0.00 0.00 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 K 7.65 4.55 0.00 1.95 1.10 0.00 1.55 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.13 7.81 28 R 8.95 4.64 0.00 2.02 2.16 0.00 3.31 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 29 N 7.44 4.45 0.00 2.86 1.92 0.00 0.00 7.11 7.23 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 30 T 9.02 3.47 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 P 0.00 4.67 0.00 2.17 2.06 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 32 N 8.18 4.81 0.00 2.86 2.32 0.00 0.00 6.87 7.75 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 33 K 8.94 3.94 0.00 1.73 1.88 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.41 7.81 34 L 7.08 3.86 0.00 1.77 1.65 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.58 4.85 0.00 2.09 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 36 L 8.22 3.52 0.00 1.75 1.35 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.86 4.68 0.00 1.88 2.39 0.00 3.32 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 38 K 8.77 4.72 0.00 1.90 0.96 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.29 7.81 39 Y 8.94 4.05 0.00 3.01 3.01 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 0.00 0.00 0.00 40 C 8.55 4.58 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.70 0.00 2.52 2.27 0.00 4.28 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.02 0.00 42 W 8.98 4.69 0.00 3.51 3.06 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 43 C 8.14 4.02 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.03 3.59 0.00 1.87 1.89 0.00 3.20 0.00 0.00 3.20 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 45 K 8.26 4.44 0.00 1.75 1.85 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.34 7.81 46 H 8.38 4.34 0.00 3.19 3.42 0.00 5.36 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.85 3.15 4.21 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 1.16 0.00 0.00 48 V 7.87 3.46 2.09 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 0.88 0.00 0.00 1.01 0.00 0.00 49 H 7.91 4.52 0.00 3.54 4.03 0.00 5.84 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 50 R 9.08 4.37 0.00 1.93 2.04 0.00 3.31 0.00 0.00 3.20 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 51 E 8.45 4.64 0.00 2.21 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 52 V 7.16 2.75 2.10 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 0.98 0.00 0.00 1.00 0.00 0.00 53 K 6.47 4.32 0.00 1.90 2.21 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.41 7.81 54 I 8.20 4.00 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 1.26 1.26 0.89 0.00 0.00