NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8040 8.3249 122.8239 58.1076 40.6863 175.4843 2 V 3.6502 6.6638 119.6607 59.4579 32.1177 177.4379 3 N 4.3697 8.8177 120.1951 56.4939 37.6255 175.5927 4 Q 4.0684 7.8828 120.4995 58.6643 28.6168 178.2891 5 H 4.1448 8.1175 118.7448 59.2735 29.6223 177.2047 6 L 3.9070 7.9297 120.6995 57.8607 41.4367 178.8665 7 C 4.1947 8.6351 119.2073 62.6520 31.4624 175.9124 8 G 3.6557 8.2564 107.1581 47.6999 0.0000 175.3877 9 S 3.9434 7.7070 115.3593 61.7277 62.2767 176.1981 10 H 4.1232 7.8740 118.3000 58.6271 28.3350 177.6723 11 L 3.9176 8.2695 121.2977 58.0962 41.4735 180.1389 12 V 3.2503 7.6807 112.1369 63.8588 31.4924 178.2913 13 E 3.8922 7.8767 119.1333 59.1547 29.4264 178.5466 14 A 3.9740 8.0702 120.8922 55.3383 18.3416 179.5650 15 L 3.6684 7.8221 117.4951 57.8588 41.4583 178.9942 16 Y 4.3190 7.7769 119.4030 60.9715 38.4986 178.4566 17 L 3.8540 7.6083 117.9553 57.6022 41.8360 179.3341 18 V 3.6889 7.8211 117.6384 66.2095 31.9401 177.5704 19 C 4.3180 8.5762 116.6265 59.9546 28.5200 175.2628 20 G 3.6603 8.3275 108.9948 46.2930 0.0000 177.1034 21 E 4.0654 8.8778 122.9424 58.7280 29.4924 178.0695 22 R 3.8808 7.8132 117.5857 57.3792 30.3016 178.2708 23 G 4.0181 8.2555 106.3369 45.2352 0.0000 171.6699 24 F 4.9235 7.8512 112.0784 55.9705 40.4357 172.8803 25 F 4.9494 9.0532 122.5852 56.6411 40.7878 173.4491 26 Y 4.4842 8.7712 130.0696 56.1119 38.9335 175.1380 27 T 3.8042 7.2649 118.1495 58.3453 69.3358 171.6733 28 P 3.7231 0.0000 0.0000 64.2219 30.8705 177.5831 29 K 4.9545 7.6144 124.1829 54.1147 31.4979 171.8397 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 F 8.32 4.80 0.00 2.97 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 2 V 6.66 3.65 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.29 0.00 0.00 3 N 8.82 4.37 0.00 3.15 3.53 0.00 0.00 6.13 7.44 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 4 Q 7.88 4.07 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 5 H 8.12 4.14 0.00 3.18 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.93 3.91 0.00 1.89 1.75 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.64 4.19 0.00 3.02 3.11 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 0.00 0.00 0.00 8 G 8.26 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 3.94 0.00 3.68 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.87 4.12 0.00 3.34 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.27 3.92 0.00 1.78 1.67 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.68 3.25 2.10 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 0.08 0.00 0.00 0.84 0.00 0.00 13 E 7.88 3.89 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 14 A 8.07 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 15 L 7.82 3.67 0.00 0.61 0.52 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.78 4.32 0.00 3.30 3.21 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 17 L 7.61 3.85 0.00 1.82 1.69 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.82 3.69 2.10 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 0.81 0.00 0.00 0.92 0.00 0.00 19 C 8.58 4.32 0.00 3.21 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.07 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 22 R 7.81 3.88 0.00 2.09 2.06 0.00 3.32 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 23 G 8.26 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.85 4.92 0.00 3.21 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 25 F 9.05 4.95 0.00 2.84 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 26 Y 8.77 4.48 0.00 3.28 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 27 T 7.26 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 28 P 0.00 3.72 0.00 2.11 2.00 0.00 3.42 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 29 K 7.61 4.95 0.00 1.86 1.88 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.03 7.81