NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0508 7.9127 120.3925 62.3057 33.0755 175.9839 4 K 3.7323 8.6118 126.0321 59.3814 32.1563 177.6976 5 Q 3.9944 8.2298 118.0455 58.9245 29.0172 178.1600 6 L 3.9372 7.8667 120.5326 58.0064 42.1785 178.5978 7 A 3.9711 8.1680 120.8329 55.3566 18.3613 179.2293 8 D 4.2788 8.5467 117.5714 57.4840 40.7968 179.0644 9 A 3.9830 7.9939 121.1577 55.1850 18.3405 179.8627 10 V 3.5293 8.0377 116.9939 66.1612 31.5332 178.0245 11 E 3.9435 8.4731 118.6373 59.4362 29.2895 179.0227 12 E 3.9233 8.2604 119.3568 59.0217 29.6107 178.5388 13 L 3.9454 8.2443 120.4710 58.0203 42.0937 178.7227 14 A 4.0261 8.2900 120.9382 55.4171 18.3401 179.6909 15 S 4.0728 8.2937 113.4072 61.7611 62.8277 176.9187 16 A 4.0602 8.1817 123.3225 55.3941 18.0997 179.5347 17 N 4.3229 8.5650 115.2408 56.3320 38.5284 177.1890 18 Y 3.8485 8.3553 121.4049 60.8297 38.9358 177.2361 19 H 4.2537 8.5748 119.2956 59.2180 29.8567 176.9202 20 L 3.8483 8.2928 122.0602 58.0572 41.8632 178.6693 21 A 3.8936 8.2311 121.0422 55.3124 18.2761 179.2727 22 N 4.1619 8.1899 114.6276 56.4672 38.5965 177.5491 23 A 3.9497 7.8751 122.0457 55.0570 18.3758 179.8531 24 V 3.4752 8.1127 116.9497 66.0732 31.6004 178.1024 25 A 3.9479 8.2026 120.7267 55.2985 18.1678 179.8852 26 R 3.9115 8.1579 116.6029 59.0915 29.9957 179.0334 27 L 3.9176 8.0963 120.2399 57.8966 42.0935 178.7701 28 A 3.9686 8.2247 120.9842 55.1923 18.2076 179.6812 29 K 3.8736 8.0754 116.6740 59.5677 31.9041 179.3924 30 A 3.9928 7.8970 119.8244 55.2282 18.3965 179.5471 31 V 3.7706 7.9678 116.0871 66.0223 31.7208 178.1115 32 G 3.7775 8.1502 103.8918 45.9511 0.0000 173.3140 33 E 4.2901 7.7312 123.8171 56.3328 29.7049 175.6992 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 3 V 7.91 4.05 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 1.00 0.00 0.00 0.93 0.00 0.00 4 K 8.61 3.73 0.00 1.94 1.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.59 7.81 5 Q 8.23 3.99 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 6 L 7.87 3.94 0.00 1.75 1.80 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.17 3.97 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 D 8.55 4.28 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.98 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 10 V 8.04 3.53 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 1.12 0.00 0.00 1.00 0.00 0.00 11 E 8.47 3.94 0.00 2.33 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 2.32 2.31 0.00 12 E 8.26 3.92 0.00 2.19 2.11 0.00 0.00 0.00 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 2.36 0.00 13 L 8.24 3.95 0.00 1.80 1.83 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.29 4.03 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 15 S 8.29 4.07 0.00 4.05 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 16 A 8.18 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.57 4.32 0.00 2.87 2.90 0.00 0.00 6.70 8.34 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 18 Y 8.36 3.85 0.00 3.19 3.05 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 0.00 0.00 0.00 0.00 19 H 8.57 4.25 0.00 3.42 3.54 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.29 3.85 0.00 1.85 1.83 0.90 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.23 3.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.16 0.00 2.92 2.89 0.00 0.00 6.95 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 23 A 7.88 3.95 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 24 V 8.11 3.48 2.15 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 1.05 0.00 0.00 0.97 0.00 0.00 25 A 8.20 3.95 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 26 R 8.16 3.91 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 27 L 8.10 3.92 0.00 1.74 1.83 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.22 3.97 1.35 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 0.00 0.00 29 K 8.08 3.87 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 30 A 7.90 3.99 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 31 V 7.97 3.77 2.20 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 0.84 0.00 0.00 0.99 0.00 0.00 32 G 8.15 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.73 4.29 0.00 2.01 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 2.41 2.20 0.00