NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6743 8.1444 121.6896 57.5700 39.5528 174.6416 2 E 3.6752 8.3807 127.9430 55.4848 30.3341 171.7124 3 V 2.8547 7.3011 123.6151 63.9916 31.9122 172.1064 4 H 4.4140 8.2571 116.6110 55.0633 27.5687 174.5230 5 H 4.2793 8.1416 116.5504 54.5730 27.9874 173.4815 6 Q 3.3589 9.0475 114.9550 57.2419 27.1379 174.2403 7 K 4.4962 7.6530 117.2037 58.1105 34.6869 176.7826 8 L 4.5731 7.5536 113.6856 55.8604 43.3533 175.8318 9 V 3.2228 7.6697 119.7100 63.1799 30.2772 175.1133 10 F 4.6874 7.5942 122.8256 57.3302 38.6085 177.0777 11 F 4.9051 7.3977 114.0161 56.4181 39.4641 175.1768 12 A 4.4511 7.0169 123.5809 52.3412 23.2982 176.2054 13 E 4.6035 8.4240 115.4970 54.4833 31.5356 174.3757 14 D 4.8867 8.0033 116.3863 52.7662 41.5454 178.7683 15 V 5.1279 8.5186 131.5974 61.6051 29.7333 171.0132 16 G 3.9244 7.6869 108.7346 47.5161 0.0000 173.2111 17 S 3.7848 7.5685 113.1625 57.9711 61.8553 174.0200 18 N 4.5808 7.3628 110.1622 53.5884 40.9608 174.2932 19 K 4.2286 8.2387 127.4000 55.4488 32.0688 176.5541 20 G 3.9681 7.9699 105.7524 46.3813 0.0000 173.3383 21 A 4.6112 7.8209 117.1031 51.4311 24.4251 177.1282 22 I 3.1611 8.8196 114.3253 62.4748 35.1187 172.0204 23 I 3.5639 8.2335 125.5016 61.0839 33.9246 173.8396 24 G 3.8035 7.8214 121.6970 45.3343 0.0000 171.4545 25 L 4.5020 7.3545 116.8327 53.4883 44.6533 177.1352 26 M 4.6741 8.4084 117.0355 55.3059 31.9095 176.5957 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 Y 8.14 4.67 0.00 2.88 2.96 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 0.00 0.00 0.00 0.00 2 E 8.38 3.68 0.00 1.91 1.65 0.00 0.00 0.00 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 2.30 0.00 3 V 7.30 2.85 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.80 0.00 0.00 4 H 8.26 4.41 0.00 3.25 3.39 0.00 5.90 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.14 4.28 0.00 3.29 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 9.05 3.36 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 7 K 7.65 4.50 0.00 1.63 1.77 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.39 7.81 8 L 7.55 4.57 0.00 1.95 1.80 1.20 0.70 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 9 V 7.67 3.22 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 -0.06 0.00 0.00 0.79 0.00 0.00 10 F 7.59 4.69 0.00 3.38 3.35 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 11 F 7.40 4.91 0.00 3.01 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 12 A 7.02 4.45 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.60 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 14 D 8.00 4.89 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 5.13 2.09 0.00 0.00 0.00 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 0.98 0.00 0.00 16 G 7.69 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.57 3.78 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.36 4.58 0.00 2.63 2.69 0.00 0.00 7.21 6.71 0.00 0.00 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 K 8.24 4.23 0.00 1.99 1.91 0.00 2.03 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.51 1.56 7.81 20 G 7.97 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.82 4.61 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 22 I 8.82 3.16 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.36 0.93 0.00 0.00 23 I 8.23 3.56 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.44 1.10 0.00 0.00 24 G 7.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 4.50 0.00 1.70 1.52 0.88 0.51 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 26 M 8.41 4.67 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00