NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4249 8.3049 120.3255 55.7286 33.0711 175.8219 2 N 4.4689 7.8559 123.6768 51.5717 38.1538 175.3575 3 L 4.2990 7.8496 126.1801 56.1843 42.5792 176.5605 4 N 3.9392 7.4431 122.3618 56.4924 40.1305 174.8693 5 A 3.9910 8.1675 121.8799 55.8692 18.3080 179.6071 6 T 3.8781 8.2068 114.0236 66.3680 68.3916 177.3292 7 I 3.7395 7.5331 121.4180 64.0729 37.3680 177.3847 8 L 4.0170 8.1955 121.7411 58.7100 41.7414 179.5527 9 G 3.5922 8.4750 105.4110 47.5184 0.0000 175.3710 10 Q 3.9595 8.3316 121.9428 59.2094 29.0870 178.3346 11 A 4.1452 8.4059 122.0368 54.9983 18.2451 179.7167 12 I 3.6431 8.1407 118.6433 64.5601 37.1219 178.1548 13 A 4.0353 8.2633 121.8498 55.4047 18.0737 179.3044 14 F 4.1378 8.4368 118.8236 61.4532 39.4726 177.4697 15 V 3.4159 8.4320 117.9799 65.9633 31.3737 177.7211 16 L 3.9736 8.1801 119.1277 58.0327 41.4241 179.1545 17 F 3.7574 7.9133 120.2253 61.2928 39.3152 176.8981 18 V 3.5155 7.8741 117.6725 66.4221 31.1494 178.1889 19 L 3.7845 8.1838 118.6802 57.4086 41.3352 179.0974 20 F 4.1147 8.4770 121.1758 61.5487 39.0933 176.7269 21 C 4.0278 8.3049 118.4283 62.7144 31.1868 175.2030 22 M 2.5500 7.4111 118.0737 55.9422 31.3047 176.2957 23 K 4.0045 6.9439 117.3036 58.0047 33.9080 176.5524 24 Y 3.9922 7.4101 112.9872 58.2270 38.2512 176.1475 25 V 4.2008 7.3056 119.1206 63.8269 33.8416 176.8551 26 W 4.4173 7.8855 119.9655 59.5136 28.7557 176.2610 27 P 4.2419 0.0000 0.0000 65.8188 30.5055 176.5707 28 P 4.2185 0.0000 0.0000 64.7790 31.2478 177.7763 29 L 3.8996 8.1504 120.3841 58.2338 41.7476 178.6124 30 M 3.8923 8.1429 116.5328 58.6751 32.2565 177.5828 31 A 4.0962 8.0693 119.4925 55.0458 18.5966 179.1721 32 A 4.0696 8.0160 118.3185 55.4166 18.6557 178.1578 33 I 4.0103 7.6626 121.1598 61.6923 37.4031 175.9559 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 M 8.30 4.42 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 N 7.86 4.47 0.00 2.79 2.79 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.85 4.30 0.00 1.64 1.56 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 4 N 7.44 3.94 0.00 2.81 2.76 0.00 0.00 6.91 8.48 0.00 0.00 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 A 8.17 3.99 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 6 T 8.21 3.88 4.38 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 1.21 0.00 0.00 7 I 7.53 3.74 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.98 0.90 0.00 0.00 8 L 8.20 4.02 0.00 1.78 1.94 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.47 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 3.96 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 11 A 8.41 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.64 2.08 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 1.64 0.98 0.93 0.00 0.00 13 A 8.26 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.14 0.00 3.16 3.29 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 15 V 8.43 3.42 2.21 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 1.02 0.00 0.00 1.14 0.00 0.00 16 L 8.18 3.97 0.00 1.82 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.91 3.76 0.00 3.24 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.52 1.87 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 0.79 0.00 0.00 0.20 0.00 0.00 19 L 8.18 3.78 0.00 1.66 1.57 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.48 4.11 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.30 4.03 0.00 2.91 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 22 M 7.41 2.55 0.00 0.66 1.57 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.72 0.00 23 K 6.94 4.00 0.00 1.24 1.22 0.00 1.53 0.00 0.00 1.24 0.00 0.00 2.42 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.38 0.95 7.81 24 Y 7.41 3.99 0.00 1.43 2.33 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 25 V 7.31 4.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.93 0.00 0.00 26 W 7.89 4.42 0.00 3.31 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.24 0.00 2.23 2.31 0.00 3.81 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 28 P 0.00 4.22 0.00 2.29 2.35 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.02 0.00 29 L 8.15 3.90 0.00 1.86 1.98 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.14 3.89 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 31 A 8.07 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.02 4.07 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 33 I 7.66 4.01 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.88 0.00 0.00