NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2987 8.3033 121.4700 56.0093 32.0766 177.7882 2 K 3.7752 7.9985 118.5348 58.9758 32.1354 177.3652 3 M 4.1264 8.1509 117.7720 58.2422 32.5870 177.7265 4 S 4.1498 7.9093 113.5567 61.3116 62.7661 175.5499 5 T 4.1075 8.1458 111.6570 63.7204 68.8220 176.5139 6 A 4.1478 7.7927 123.8964 54.4804 18.5230 179.5164 7 I 3.7423 7.7559 112.0306 64.2026 37.8592 178.4929 8 S 4.0810 7.9641 114.6197 60.8182 62.2267 176.2173 9 V 3.5804 7.6523 120.6181 65.9009 31.3191 177.6333 10 L 3.9371 7.6704 118.1806 58.2589 41.5728 179.6531 11 L 4.0167 7.7474 118.2561 57.6166 41.4712 179.3291 12 A 3.9956 7.9823 120.7833 55.6562 18.3742 179.7318 13 Q 4.0536 8.1448 115.7045 59.0034 28.5056 179.0468 14 A 4.0536 7.6926 121.1424 55.2014 18.6577 179.4870 15 V 3.7465 7.8893 116.7143 65.6451 31.5729 177.8309 16 F 3.8806 8.2266 120.6680 61.4085 39.3921 177.0302 17 L 4.1178 8.3012 118.4326 57.4616 41.3781 179.5889 18 L 3.9042 7.7807 120.8525 58.1005 42.1633 178.9957 19 L 3.9816 7.7063 119.0434 58.7149 40.0667 179.1973 20 T 3.7207 7.3204 116.5323 66.4560 68.4866 176.3984 21 S 4.2589 7.6245 114.3781 61.6483 63.3211 176.0782 22 Q 4.2121 7.8120 118.9855 56.6551 28.5213 176.2416 23 R 4.1215 7.7141 125.7544 56.4660 30.5060 174.2112 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 E 8.30 4.30 0.00 2.06 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 2.27 2.40 0.00 2 K 8.00 3.78 0.00 1.96 1.83 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.61 7.81 3 M 8.15 4.13 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 4 S 7.91 4.15 0.00 3.93 4.12 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 5 T 8.15 4.11 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 1.31 0.00 0.00 6 A 7.79 4.15 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 7 I 7.76 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 1.66 1.13 0.97 0.00 0.00 8 S 7.96 4.08 0.00 3.91 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 9 V 7.65 3.58 2.15 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 0.96 0.00 0.00 0.96 0.00 0.00 10 L 7.67 3.94 0.00 1.90 1.72 0.92 0.83 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 11 L 7.75 4.02 0.00 1.76 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.98 4.00 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 13 Q 8.14 4.05 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 14 A 7.69 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.89 3.75 2.23 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 0.99 0.00 0.00 1.00 0.00 0.00 16 F 8.23 3.88 0.00 3.14 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 17 L 8.30 4.12 0.00 1.80 1.77 0.96 0.57 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 18 L 7.78 3.90 0.00 1.73 1.84 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.71 3.98 0.00 1.80 1.77 0.51 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.32 3.72 4.36 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 1.23 0.00 0.00 21 S 7.62 4.26 0.00 4.05 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 22 Q 7.81 4.21 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 23 R 7.71 4.12 0.00 1.67 1.87 0.00 3.19 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00