NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.9104 8.4544 118.1120 57.0494 41.4456 172.0796 2 K 4.3716 8.5367 124.6722 54.6407 35.9004 173.5578 3 Q 4.3582 9.2539 122.4942 54.9310 30.4282 175.8660 4 A 4.2080 8.5097 126.0353 53.7389 18.7282 178.3425 5 G 3.9331 9.4865 112.4501 45.6708 0.0000 174.4553 6 E 4.0577 8.0102 121.0001 57.3930 30.0105 176.4201 7 S 4.5383 6.7738 110.4324 57.7797 65.4785 174.5221 8 C 4.7783 7.8336 117.9553 56.4367 45.6014 172.4022 9 D 4.5198 7.9375 124.8669 52.2417 42.5101 176.1396 10 I 4.2827 6.8164 120.3445 62.9764 37.6651 177.7088 11 F 4.1244 7.4823 117.0625 59.3694 38.1877 175.2379 12 S 4.4455 5.8169 116.7084 56.1970 61.2265 172.1303 13 Q 4.2637 8.1982 126.2286 55.6474 29.5126 176.1819 14 N 4.5021 8.5786 119.2592 55.0214 39.7180 175.5881 15 C 4.5514 8.0367 114.7095 56.7303 40.3903 173.8766 16 C 4.1715 9.1764 123.1894 60.1223 40.1521 175.7312 17 V 4.4949 8.8005 112.0364 59.7820 32.2338 174.7407 18 G 4.2141 7.6519 106.1796 43.8000 0.0000 172.5911 19 T 4.0269 8.2211 114.4988 62.5752 67.9822 175.3981 20 C 5.6401 9.4412 124.1011 57.6083 40.9417 176.7817 21 A 3.9077 7.6432 121.3678 54.3408 18.5889 180.1548 22 F 4.3617 7.6938 109.9758 56.3198 41.3670 174.6006 23 I 4.0205 7.3170 111.5248 60.4309 40.2297 172.4033 24 C 4.7606 8.3934 123.2780 55.4748 44.3490 173.7920 25 I 4.4917 7.2991 129.2409 59.5642 37.2822 174.8934 26 E 4.0985 7.9257 126.8284 56.7359 29.4204 176.0275 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 C 8.45 4.91 0.00 2.87 3.12 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 2 K 8.54 4.37 0.00 1.76 1.63 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.76 7.81 3 Q 9.25 4.36 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 4 A 8.51 4.21 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 5 G 9.49 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.01 4.06 0.00 1.94 2.02 0.00 0.00 0.00 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 2.24 0.00 7 S 6.77 4.54 0.00 3.94 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.83 4.78 0.00 2.87 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 9 D 7.94 4.52 0.00 2.05 1.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.82 4.28 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 -0.36 0.82 0.00 0.00 11 F 7.48 4.12 0.00 3.12 3.20 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 12 S 5.82 4.45 0.00 3.98 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.26 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 14 N 8.58 4.50 0.00 2.73 2.80 0.00 0.00 7.20 7.83 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 15 C 8.04 4.55 0.00 3.07 3.27 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 16 C 9.18 4.17 0.00 3.04 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.80 4.49 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 0.98 0.00 0.00 18 G 7.65 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 0.00 0.00 0.00 0.00 19 T 8.22 4.03 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 20 C 9.44 5.64 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.64 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.69 4.36 0.00 3.03 2.98 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 23 I 7.32 4.02 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.95 0.00 0.00 24 C 8.39 4.76 0.00 2.93 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 25 I 7.30 4.49 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 1.18 1.05 0.91 0.00 0.00 26 E 7.93 4.10 0.00 2.07 1.78 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 2.37 2.37 0.00