NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2483 8.4444 120.2242 56.5172 30.4993 174.8678 2 T 4.4942 7.9100 116.1111 58.7894 72.0435 172.8162 3 S 4.1570 9.2372 116.8454 61.1204 62.5630 175.2763 4 E 3.9489 8.0689 121.0809 59.5274 29.2883 178.9287 5 E 3.9513 8.1634 118.0116 59.2103 29.4815 179.3765 6 R 3.8230 7.6407 117.8595 59.4240 29.7594 178.4197 7 A 4.0048 7.9111 119.8082 54.9510 18.1739 179.2069 8 A 3.8848 7.7954 119.2065 54.6278 18.6544 179.7426 9 R 3.8704 7.9321 116.9781 59.5181 30.2004 178.4577 10 L 4.1279 7.9014 117.9675 57.5510 41.6683 178.9684 11 A 4.0582 7.4691 119.8654 52.5209 18.4474 177.3038 12 K 3.8250 7.7669 116.3897 57.8550 31.1997 176.7598 13 M 4.2351 8.3187 118.5036 56.9194 32.3459 177.1556 14 S 4.7505 7.8541 113.4644 56.5719 65.3893 173.8276 15 A 4.2800 8.5883 127.5512 54.3715 19.1560 177.1216 16 Y 4.2745 7.3230 111.2804 57.2028 41.4293 172.5181 17 A 4.4265 7.6510 126.0257 51.9017 21.8621 176.7305 18 A 4.3402 8.5112 125.1551 51.0826 17.1760 177.4068 19 Q 4.5516 7.5254 123.3776 55.3795 30.1158 176.9608 20 R 4.0420 8.0110 119.0976 58.0999 30.6460 176.6317 21 L 3.9825 7.8998 117.8233 56.0403 40.7403 176.2735 22 A 4.4541 8.6157 125.0289 53.3567 20.4464 176.1192 23 N 4.5012 7.7763 117.3698 53.9869 39.1682 173.7242 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 8.44 4.25 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 2 T 7.91 4.49 4.23 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 0.00 0.00 0.00 1.25 0.00 0.00 3 S 9.24 4.16 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.07 3.95 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 5 E 8.16 3.95 0.00 2.11 1.98 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 2.38 2.29 0.00 6 R 7.64 3.82 0.00 1.94 2.02 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 7 A 7.91 4.00 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 8 A 7.80 3.88 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.87 0.00 1.97 2.09 0.00 3.25 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 10 L 7.90 4.13 0.00 1.65 1.71 0.94 0.58 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 11 A 7.47 4.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 3.83 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.44 7.81 13 M 8.32 4.24 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 14 S 7.85 4.75 0.00 3.81 3.74 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 15 A 8.59 4.28 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 16 Y 7.32 4.27 0.00 2.92 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 17 A 7.65 4.43 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 18 A 8.51 4.34 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.53 4.55 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 20 R 8.01 4.04 0.00 1.77 1.92 0.00 3.32 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 21 L 7.90 3.98 0.00 1.79 1.68 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.62 4.45 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.78 4.50 0.00 2.61 2.61 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00