NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4279 8.3349 116.7949 58.0838 63.7672 173.2399 5 I 3.7394 8.3445 127.5833 60.5615 37.5066 174.1132 6 L 4.7487 8.1452 125.6998 53.3698 44.2906 176.8599 7 S 4.5300 8.5327 117.7261 57.3682 65.5878 175.1537 8 Q 3.8941 8.6452 122.7380 59.4967 28.3779 178.5959 9 A 3.9666 7.9273 119.6041 55.2952 18.7812 178.9457 10 E 4.0557 8.2319 116.8017 59.7945 29.5236 179.5959 11 I 3.7086 8.3904 120.0536 64.6488 37.0131 177.9331 12 D 4.3591 8.6221 119.6659 57.5753 40.4769 178.7533 13 A 4.1948 7.9234 119.3519 53.9565 18.4224 177.8510 14 L 4.7079 8.1328 114.6069 53.7961 43.9547 176.9823 15 L 4.6886 8.0032 116.9005 54.1238 44.0941 175.6107 16 N 4.6139 7.9157 119.9806 53.4459 38.9517 174.0107 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 4 S 8.33 4.43 0.00 3.88 3.90 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 0.00 0.00 0.00 5 I 8.34 3.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.91 0.00 0.00 6 L 8.15 4.75 0.00 1.60 1.58 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.53 4.53 0.00 4.07 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 8 Q 8.65 3.89 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 9 A 7.93 3.97 1.30 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 0.00 0.00 10 E 8.23 4.06 0.00 2.25 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 2.33 2.35 0.00 11 I 8.39 3.71 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.91 0.00 0.00 12 D 8.62 4.36 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.19 1.37 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 0.00 0.00 0.00 0.00 0.00 14 L 8.13 4.71 0.00 1.57 1.66 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.00 4.69 0.00 1.55 1.62 0.92 0.90 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 16 N 7.92 4.61 0.00 2.75 2.65 0.00 0.00 6.82 8.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00