NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6072 8.2048 119.7219 56.0989 34.0332 176.2587 2 D 4.8493 7.4010 117.5509 52.7538 41.2858 174.8227 3 E 3.9884 8.1390 119.9505 58.8615 31.1599 178.5401 4 T 4.7808 7.3149 111.5966 61.0955 67.7948 175.2799 5 G 4.0635 7.7984 109.5605 44.3346 0.0000 172.5052 6 K 4.4168 7.1504 116.1210 54.8017 36.4354 175.3231 7 E 3.9463 8.7548 120.6729 57.7042 30.3766 176.9746 8 L 5.1439 8.5384 126.6333 53.7121 44.4206 175.8948 9 V 5.0416 9.0287 113.8932 59.7297 36.7319 173.9924 10 L 4.9287 8.9170 124.2689 53.2869 44.7375 175.3154 11 A 4.7246 8.7048 128.3488 51.2998 18.6869 178.0052 12 L 3.6753 8.5948 123.7990 57.9921 42.1481 177.0469 13 Y 4.9448 7.2085 113.3084 55.9710 42.5215 174.3940 14 D 4.9738 8.8717 120.3125 54.4606 42.3552 174.7472 15 Y 5.0890 9.3859 125.9675 56.0443 42.8576 173.4920 16 Q 4.8402 7.4928 123.6391 53.3271 31.3977 175.4169 17 E 3.9716 8.5722 122.7240 56.6395 30.1250 176.8607 18 K 4.2774 9.2814 122.5143 56.8809 33.6595 176.5494 19 S 4.8164 7.7122 111.3579 55.2791 65.6853 172.9532 20 P 4.2360 0.0000 0.0000 64.6553 31.2695 177.1688 21 A 4.7466 7.6532 119.7779 51.6481 19.1309 175.5892 22 E 5.5751 8.1822 117.0001 55.8897 32.7658 176.0053 23 V 4.6755 8.5580 114.3721 59.9573 35.5015 175.3584 24 T 4.7432 8.6852 120.0762 63.0606 69.5197 174.0805 25 M 5.0707 9.0089 122.3543 53.4548 35.3856 174.3455 26 K 4.9698 8.3964 118.0478 53.9963 36.3370 175.7557 27 K 4.1150 8.8200 124.8952 58.5256 32.2894 176.7159 28 G 3.9904 8.8666 114.5143 44.9325 0.0000 172.3741 29 D 4.8168 8.0017 119.8195 52.9774 43.4126 175.2903 30 I 4.7428 8.2515 125.2918 60.2065 38.2007 175.2024 31 L 4.6790 8.9310 128.0027 53.7840 44.4858 175.7461 32 T 4.9173 8.1606 117.7093 61.9323 70.6078 173.9792 33 L 4.4071 9.2725 128.1728 54.7063 41.8275 176.5740 34 L 4.5211 8.8712 123.4224 55.8961 44.3808 176.9401 35 N 4.6805 7.6052 117.4278 52.1959 42.1020 175.0428 36 S 4.3645 8.2113 122.0265 58.0341 63.4578 175.7195 37 T 3.8164 8.6681 117.3651 64.6773 67.3743 173.5186 38 N 5.0926 7.5464 119.2835 52.4268 40.4844 174.6706 39 K 4.4703 8.7502 122.6470 58.2037 33.0956 177.4592 40 D 4.5534 9.0173 118.3256 54.4934 42.7200 176.8180 41 W 5.4382 8.5206 116.8176 54.5356 32.7559 174.9048 42 W 5.2732 9.7058 124.0053 54.7520 32.1548 174.5631 43 K 3.8817 8.9599 127.0172 55.9354 32.6434 176.1048 44 V 4.9892 9.1201 120.0244 59.6661 36.9926 173.9594 45 E 4.9596 9.2733 122.4725 54.6056 32.4033 174.5336 46 V 4.3563 9.0112 128.3962 62.0542 33.0176 175.0951 47 N 4.3063 9.3849 129.3326 53.8395 36.9067 174.9167 48 D 4.6250 7.8089 112.4711 53.5353 46.3554 174.8587 49 R 4.5001 8.6420 119.6350 55.4305 31.2792 174.8534 50 Q 5.0326 8.2956 121.7614 54.1346 31.1480 175.3681 51 G 4.1098 8.3401 109.2178 46.6934 0.0000 171.5817 52 F 5.4657 8.8828 118.4550 56.4586 41.4230 176.0134 53 V 4.8625 9.0293 113.7380 58.9254 36.8103 173.1877 54 P 3.7029 0.0000 0.0000 62.2657 31.5054 177.9284 55 A 3.1246 8.2682 126.4034 54.4350 18.2507 178.6709 56 A 4.1668 7.5421 116.3218 53.5521 18.8278 177.0676 57 Y 4.7822 8.0526 113.3018 57.6089 39.4085 175.5003 58 V 4.9847 7.5137 118.8167 60.9656 35.2830 174.4226 59 K 4.7208 8.7862 126.1190 54.0821 35.7158 175.4693 60 K 4.3975 9.0074 126.3134 57.2922 31.8867 176.9032 61 L 4.3010 8.8412 125.0551 55.5690 42.6193 176.6782 62 D 4.4943 7.9301 122.6305 54.1629 41.4198 175.2406 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 8.20 4.61 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 D 7.40 4.85 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.99 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 4 T 7.31 4.78 4.24 0.00 0.00 0.00 0.00 0.00 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 5 G 7.80 4.06 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 0.00 6 K 7.15 4.42 0.00 1.66 1.67 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.38 7.81 7 E 8.75 3.95 0.00 1.98 1.76 0.00 0.00 0.00 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 2.30 0.00 8 L 8.54 5.14 0.00 1.64 1.56 0.92 0.99 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 9 V 9.03 5.04 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 1.06 0.00 0.00 1.06 0.00 0.00 10 L 8.92 4.93 0.00 1.70 1.47 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.70 4.72 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 12 L 8.59 3.68 0.00 0.61 0.13 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.21 4.94 0.00 2.53 2.66 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 14 D 8.87 4.97 0.00 2.80 2.69 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 0.00 0.00 0.00 15 Y 9.39 5.09 0.00 3.08 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 4.84 0.00 1.73 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 17 E 8.57 3.97 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 18 K 9.28 4.28 0.00 1.92 1.89 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.39 0.00 0.00 3.59 0.00 0.00 0.00 0.00 1.37 1.54 7.81 19 S 7.71 4.82 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.05 2.15 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 21 A 7.65 4.75 1.20 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 0.00 0.00 22 E 8.18 5.58 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.29 0.00 23 V 8.56 4.68 2.17 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 0.79 0.00 0.00 1.15 0.00 0.00 24 T 8.69 4.74 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 25 M 9.01 5.07 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.76 0.00 26 K 8.40 4.97 0.00 1.77 1.73 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.74 7.81 27 K 8.82 4.12 0.00 1.71 1.79 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 28 G 8.87 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 0.00 0.00 0.00 29 D 8.00 4.82 0.00 3.08 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.25 4.74 1.88 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 1.35 0.59 0.92 0.00 0.00 31 L 8.93 4.68 0.00 1.60 1.62 0.98 0.58 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 32 T 8.16 4.92 4.23 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 1.27 0.00 0.00 33 L 9.27 4.41 0.00 1.60 1.42 0.46 0.03 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 34 L 8.87 4.52 0.00 1.37 1.59 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.61 4.68 0.00 2.64 2.48 0.00 0.00 6.75 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.21 4.36 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 3.82 4.35 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 1.35 0.00 0.00 38 N 7.55 5.09 0.00 2.89 3.43 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.75 4.47 0.00 1.87 1.89 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.56 7.81 40 D 9.02 4.55 0.00 2.73 2.38 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 41 W 8.52 5.44 0.00 3.30 3.39 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 42 W 9.71 5.27 0.00 3.21 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 43 K 8.96 3.88 0.00 0.79 1.43 0.00 1.32 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.07 0.51 7.81 44 V 9.12 4.99 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 0.71 0.00 0.00 1.00 0.00 0.00 45 E 9.27 4.96 0.00 1.94 1.75 0.00 0.00 0.00 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 2.21 0.00 46 V 9.01 4.36 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 0.98 0.00 0.00 1.08 0.00 0.00 47 N 9.38 4.31 0.00 3.02 3.00 0.00 0.00 6.03 8.08 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 48 D 7.81 4.63 0.00 2.56 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 49 R 8.64 4.50 0.00 1.85 1.86 0.00 3.32 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 50 Q 8.30 5.03 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 51 G 8.34 4.11 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 0.00 0.00 0.00 52 F 8.88 5.47 0.00 3.10 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 53 V 9.03 4.86 1.97 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 0.97 0.00 0.00 1.08 0.00 0.00 54 P 0.00 3.70 0.00 1.47 1.11 0.00 2.54 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.65 0.00 55 A 8.27 3.12 0.08 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 0.00 0.00 56 A 7.54 4.17 1.23 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 0.00 0.00 57 Y 8.05 4.78 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.51 4.98 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 0.93 0.00 0.00 1.05 0.00 0.00 59 K 8.79 4.72 0.00 1.79 1.53 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.38 7.81 60 K 9.01 4.40 0.00 1.77 1.92 0.00 1.73 0.00 0.00 2.04 0.00 0.00 2.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.56 7.81 61 L 8.84 4.30 0.00 1.73 1.72 0.95 0.85 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 62 D 7.93 4.49 0.00 2.57 2.48 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 0.00 0.00 0.00 0.00