NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2889 8.3149 119.9974 56.4260 33.4565 175.4941 14 L 4.1132 8.3074 124.1976 52.7192 42.4840 174.7383 15 P 4.3961 0.0000 0.0000 63.1008 32.6422 175.8566 16 N 5.0288 8.6859 117.2148 52.5081 38.0564 174.0868 17 T 4.7210 7.5868 107.3678 60.1745 71.9375 173.1776 18 V 4.4414 8.2016 121.6427 61.1740 34.4598 174.8992 19 S 4.6398 8.5176 121.7178 56.6392 65.8040 173.3247 20 L 4.4628 8.5004 125.4876 53.7999 42.4234 176.4936 21 V 4.5390 7.9798 115.2733 59.9604 35.7163 174.3657 22 A 4.5439 7.9190 122.2073 51.7212 21.7099 175.6196 23 G 3.9799 8.0615 107.7542 45.4226 0.0000 172.6311 24 S 4.6174 8.3601 112.8103 57.1849 65.6920 173.2652 25 S 4.4514 7.9809 112.9264 57.9727 64.6549 174.8720 26 E 4.3792 8.5443 124.5511 55.5888 30.1681 175.7168 27 G 4.1579 7.7566 105.6832 44.9647 0.0000 174.6790 28 E 4.1685 8.8494 120.8704 58.5756 30.0563 177.5978 29 T 4.7537 7.3393 105.0665 58.3167 73.3576 172.8747 30 P 4.2641 0.0000 0.0000 65.8624 31.2653 178.7507 31 L 4.0214 7.8675 118.4551 58.3170 42.0498 178.6187 32 N 4.4081 8.3245 116.1960 55.9655 38.3292 177.3898 33 A 4.1626 8.2068 122.5949 54.9159 18.4772 179.3495 34 F 4.0415 8.4494 119.2933 61.5383 39.4518 176.7207 35 D 4.3720 8.6877 118.1321 57.4869 40.9668 178.5747 36 G 3.6293 8.5674 107.3507 47.0884 0.0000 175.6029 37 A 3.9458 8.0580 123.2346 54.8466 18.3588 179.7536 38 L 3.7560 7.7463 117.5928 57.7707 41.7220 179.6540 39 L 3.9251 7.9727 119.0505 57.9331 41.3842 179.2243 40 N 4.3338 8.1435 115.3396 56.2571 38.8967 176.3078 41 A 4.5464 7.1072 122.8435 52.3945 18.7322 178.1693 42 G 4.1034 7.8195 103.8714 45.3822 0.0000 173.7679 43 I 4.5999 7.5147 112.8348 60.3563 37.8981 177.1666 44 G 3.7002 8.3526 111.3725 48.6384 0.0000 174.7378 45 N 5.0116 7.9736 116.6958 53.0212 39.2641 174.5724 46 V 4.5102 7.5020 109.3842 59.4486 35.5182 175.0215 47 N 4.6633 8.5606 119.3425 52.2925 38.8874 175.0862 48 L 4.2176 8.5045 124.2404 54.0631 42.3809 176.6490 49 I 4.2069 8.0828 125.3032 59.1476 37.0279 175.2113 50 R 3.9947 8.4925 126.6032 56.0632 30.4118 175.6823 51 I 4.5157 8.2538 118.9851 59.0568 39.6880 175.6372 52 S 4.2758 8.4405 116.7171 58.5490 63.0061 173.6736 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 13 K 8.31 4.29 0.00 1.88 1.92 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 14 L 8.31 4.11 0.00 1.74 1.64 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.40 0.00 2.04 1.99 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 16 N 8.69 5.03 0.00 2.76 2.86 0.00 0.00 5.85 7.71 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 17 T 7.59 4.72 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 18 V 8.20 4.44 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00 19 S 8.52 4.64 0.00 3.84 3.71 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 20 L 8.50 4.46 0.00 1.63 1.60 0.92 0.89 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 21 V 7.98 4.54 2.21 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 0.71 0.00 0.00 0.91 0.00 0.00 22 A 7.92 4.54 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.62 0.00 3.97 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 25 S 7.98 4.45 0.00 3.86 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.54 4.38 0.00 2.00 1.88 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 2.27 2.24 0.00 27 G 7.76 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 0.00 0.00 0.00 28 E 8.85 4.17 0.00 1.98 2.03 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 2.32 2.25 0.00 29 T 7.34 4.75 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 P 0.00 4.26 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 31 L 7.87 4.02 0.00 1.75 1.68 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.32 4.41 0.00 2.82 2.87 0.00 0.00 6.92 7.25 0.00 0.00 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 A 8.21 4.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.45 4.04 0.00 3.22 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.69 4.37 0.00 2.99 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 36 G 8.57 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.06 3.95 1.27 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 0.00 0.00 0.00 38 L 7.75 3.76 0.00 1.67 1.57 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.97 3.93 0.00 1.82 1.69 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.14 4.33 0.00 2.75 2.97 0.00 0.00 7.26 7.53 0.00 0.00 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 A 7.11 4.55 1.33 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 0.00 0.00 0.00 42 G 7.82 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 0.00 0.00 0.00 0.00 43 I 7.51 4.60 1.85 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 1.18 0.71 0.89 0.00 0.00 44 G 8.35 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.97 5.01 0.00 2.69 2.81 0.00 0.00 6.70 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.50 4.51 2.08 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 0.74 0.00 0.00 0.97 0.00 0.00 47 N 8.56 4.66 0.00 2.72 2.78 0.00 0.00 6.97 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.50 4.22 0.00 1.71 1.66 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.08 4.21 1.88 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 1.31 0.83 0.92 0.00 0.00 50 R 8.49 3.99 0.00 1.79 1.86 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 51 I 8.25 4.52 1.88 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 1.48 0.81 0.92 0.00 0.00 52 S 8.44 4.28 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00