NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4229 8.3044 120.3258 54.7781 33.6710 174.9132 2 N 4.6704 8.0452 117.0348 49.9503 41.4962 172.3592 3 T 3.9363 8.7540 116.3599 62.0114 70.2756 173.0425 4 V 4.2142 7.9441 122.3736 61.4479 33.2079 175.6477 5 R 4.4235 8.4582 124.6544 54.9774 30.1400 176.0397 6 W 4.7993 8.7240 123.4842 55.4005 30.4421 175.9063 7 N 4.9959 8.4869 119.6160 51.4064 40.2704 173.8649 8 I 4.5344 8.1427 115.4303 58.9061 40.7944 174.1120 9 A 4.7431 8.3672 124.8279 50.6911 20.7985 176.4899 10 V 4.5954 7.8664 114.1307 59.2309 36.2639 175.2648 11 S 4.3512 8.3874 115.9888 57.3580 63.5281 173.5995 12 P 4.5051 0.0000 0.0000 65.5868 30.5965 178.1494 13 D 4.3735 8.0160 118.8889 56.2654 39.4933 178.8067 14 V 3.7180 8.1406 115.9616 63.5774 31.5926 177.8735 15 D 4.2529 8.0017 117.2939 57.4310 41.1865 177.7822 16 Q 3.9612 7.7695 120.2014 59.3056 28.7469 178.5654 17 S 4.1524 7.8673 115.3001 61.3188 62.6442 176.6294 18 V 3.2198 7.6590 121.8176 65.7355 31.2383 178.1200 19 R 3.9751 7.9233 118.2981 59.3921 29.8375 178.3737 20 M 4.0512 8.0144 118.8761 58.1269 31.8696 178.2654 21 F 3.9897 8.2323 121.0566 61.3341 39.5413 177.2471 22 I 3.7010 7.6182 111.1518 64.0091 37.1583 177.7945 23 A 4.0846 7.9606 121.4649 55.0014 18.2272 179.2140 24 A 4.0361 7.8065 118.0250 54.3582 18.5682 178.8093 25 Q 4.3911 7.7446 113.9224 53.1682 29.6171 177.3680 26 G 4.4150 8.3816 112.8225 45.6217 0.0000 174.7463 27 G 4.3951 8.2246 126.7115 46.0125 0.0000 173.1638 28 G 4.1229 7.2212 108.7842 43.8624 0.0000 171.8587 29 R 4.3140 7.5727 116.9482 55.2597 30.8881 177.1747 30 K 4.0652 8.0183 117.9132 58.6452 32.7024 180.7314 31 G 4.0666 7.7295 109.9237 45.7433 0.0000 169.8951 32 D 5.0102 8.1148 117.5523 51.4568 42.1368 175.3458 33 L 4.0330 8.6607 118.2143 58.7635 42.0296 179.8755 34 S 4.2357 8.2388 113.9430 61.7425 62.6719 176.5256 35 R 3.8851 7.9320 122.2387 58.8179 29.5799 178.0835 36 F 4.1039 8.1025 120.2112 61.5169 39.3519 177.0511 37 I 3.0210 7.8416 117.5363 63.4054 37.9316 177.0867 38 E 3.6860 7.9724 120.3326 59.5411 29.4475 178.7564 39 D 4.3145 8.0795 118.4023 56.9095 40.6368 178.7169 40 A 3.8018 7.2912 121.4365 55.2539 18.3291 180.1670 41 V 3.7336 7.8991 111.0838 64.3887 31.6837 178.8143 42 R 3.8864 7.8721 117.9643 59.3829 29.9105 178.5018 43 A 4.3218 7.8728 120.2022 55.3319 18.3342 179.3388 44 Y 4.0489 7.7666 115.2586 61.3267 37.8123 178.4329 45 L 4.0476 8.0319 118.6464 57.8156 42.0095 179.2320 46 F 4.3964 8.2521 120.1662 61.1328 39.2300 176.6397 47 E 2.7091 7.0159 118.8043 59.1820 29.1712 179.1660 48 R 3.8312 7.8629 116.9100 58.2487 29.7880 178.9588 49 A 3.9155 7.5378 120.6657 55.1789 18.5241 178.6634 50 V 3.6625 6.9580 115.3836 65.7948 31.8085 175.5234 51 E 4.4596 7.5641 123.2812 56.9036 30.3230 174.9860 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 2.00 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 N 8.05 4.67 0.00 2.69 2.64 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.75 3.94 4.22 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 1.19 0.00 0.00 4 V 7.94 4.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.96 0.00 0.00 5 R 8.46 4.42 0.00 1.90 1.95 0.00 3.28 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 6 W 8.72 4.80 0.00 3.23 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.49 5.00 0.00 2.61 2.69 0.00 0.00 6.84 7.50 0.00 0.00 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 I 8.14 4.53 1.78 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.64 0.00 0.00 9 A 8.37 4.74 1.22 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 0.00 0.00 10 V 7.87 4.60 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 0.81 0.00 0.00 0.96 0.00 0.00 11 S 8.39 4.35 0.00 4.18 3.99 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 12 P 0.00 4.51 0.00 2.28 2.37 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 13 D 8.02 4.37 0.00 2.98 2.97 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 14 V 8.14 3.72 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.04 0.00 0.00 15 D 8.00 4.25 0.00 2.78 2.65 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 0.00 0.00 0.00 16 Q 7.77 3.96 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 17 S 7.87 4.15 0.00 4.05 4.22 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 18 V 7.66 3.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.60 0.00 0.00 19 R 7.92 3.98 0.00 1.90 1.89 0.00 3.14 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 20 M 8.01 4.05 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.69 0.00 21 F 8.23 3.99 0.00 3.16 3.20 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 0.00 0.00 0.00 0.00 22 I 7.62 3.70 1.90 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 1.65 1.04 1.03 0.00 0.00 23 A 7.96 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 4.04 1.22 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 0.00 0.00 25 Q 7.74 4.39 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.99 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 26 G 8.38 4.42 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 0.00 27 G 8.22 4.40 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 0.00 28 G 7.22 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 4.31 0.00 1.96 1.98 0.00 3.22 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 30 K 8.02 4.07 0.00 1.76 1.82 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 31 G 7.73 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 5.01 0.00 2.81 2.80 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 33 L 8.66 4.03 0.00 1.76 1.74 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.24 4.24 0.00 4.11 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.93 3.89 0.00 1.87 2.21 0.00 3.11 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 36 F 8.10 4.10 0.00 3.20 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.84 3.02 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.85 1.08 0.00 0.00 38 E 7.97 3.69 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 39 D 8.08 4.31 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.29 3.80 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.90 3.73 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.91 0.00 0.00 42 R 7.87 3.89 0.00 1.90 2.13 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 43 A 7.87 4.32 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.77 4.05 0.00 3.14 2.92 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 45 L 8.03 4.05 0.00 1.70 1.81 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.25 4.40 0.00 3.14 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 47 E 7.02 2.71 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 48 R 7.86 3.83 0.00 1.86 1.93 0.00 3.31 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 49 A 7.54 3.92 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 6.96 3.66 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 0.85 0.00 0.00 1.04 0.00 0.00 51 E 7.56 4.46 0.00 1.98 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00