NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0007 8.2127 109.7443 45.3954 0.0000 173.5608 2 I 3.3628 8.0939 117.5154 63.2406 37.5134 173.3992 3 V 3.5373 8.4008 120.1374 65.9159 31.3639 177.3289 4 E 4.4999 7.9853 119.3045 58.9273 29.1980 178.8939 5 Q 3.8925 8.0823 116.8596 57.7062 29.0614 176.6702 6 C 4.8939 8.4395 115.6354 56.9485 42.3872 174.4612 7 C 4.3728 7.7744 119.2269 61.4773 32.1927 174.8465 8 T 4.0297 8.2968 110.3240 63.3761 68.6677 173.9266 9 S 4.9710 7.1881 114.5559 55.5706 65.9953 173.3631 10 I 3.8394 8.0620 121.5335 61.1843 37.1840 177.1603 11 C 4.7953 8.5734 125.4225 56.4584 42.3956 172.5561 12 S 4.8076 8.0309 115.6323 55.8257 66.6712 174.7601 13 L 3.9996 8.5475 124.2422 58.3094 41.6512 178.4605 14 Y 3.8947 8.0505 118.3512 60.9933 39.1607 177.9137 15 Q 4.3150 8.1572 118.9570 58.8774 28.7853 178.5249 16 L 4.1882 8.0656 120.1130 58.0551 41.6981 179.4359 17 E 4.0276 8.2271 117.7755 58.7792 29.0939 178.7938 18 N 4.2823 7.7411 115.4949 55.1058 38.5646 175.1081 19 Y 4.5296 7.5387 116.2233 57.7463 38.6427 175.6830 20 C 4.4824 7.4991 117.8286 59.1925 29.1614 173.5176 21 N 4.5303 8.5260 117.7190 53.7422 38.2603 175.4198 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 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.36 0.62 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.37 0.61 0.00 0.00 3 V 8.40 3.54 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.88 0.00 0.00 4 E 7.99 4.50 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 5 Q 8.08 3.89 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 6 C 8.44 4.89 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 7 C 7.77 4.37 0.00 2.90 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 8 T 8.30 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 9 S 7.19 4.97 0.00 3.84 3.87 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 10 I 8.06 3.84 1.88 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 1.30 0.54 0.92 0.00 0.00 11 C 8.57 4.80 0.00 3.11 3.01 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 0.00 0.00 0.00 12 S 8.03 4.81 0.00 4.10 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 13 L 8.55 4.00 0.00 1.81 1.76 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.05 3.89 0.00 3.06 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 15 Q 8.16 4.32 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 16 L 8.07 4.19 0.00 1.91 1.78 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.23 4.03 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 18 N 7.74 4.28 0.00 2.60 2.30 0.00 0.00 6.88 6.97 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 19 Y 7.54 4.53 0.00 3.12 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.50 4.48 0.00 2.92 2.85 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 0.00 0.00 0.00 0.00 21 N 8.53 4.53 0.00 2.71 2.72 0.00 0.00 6.79 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