NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3140 8.2649 123.5827 51.4709 20.6790 177.0273 4 E 4.1361 7.9291 115.3058 55.1365 30.3513 174.3234 5 I 4.3379 8.0695 120.2084 59.7726 42.0292 173.4556 6 N 4.7239 8.5113 126.1188 51.1501 38.8405 173.2600 7 P 4.1868 0.0000 0.0000 64.9803 31.6190 178.0844 8 L 4.2227 8.1662 117.3901 56.6828 41.9419 177.3966 9 H 4.7470 8.0536 114.0348 57.0165 30.7980 175.6423 10 A 3.5118 7.8199 124.8858 50.3536 16.9647 177.5891 11 Y 4.1369 7.3088 119.9376 58.6570 38.6953 178.1810 12 F 4.3010 6.0179 113.3723 56.9573 38.4866 175.3606 13 K 4.3480 6.9964 123.0984 54.4757 32.0713 175.0620 14 L 4.3198 8.0588 125.2124 53.0230 42.6410 175.7038 15 P 4.4035 0.0000 0.0000 63.0063 31.7731 176.0118 16 N 5.0515 8.6524 117.3292 52.4499 37.9271 173.9527 17 T 4.7682 7.5871 107.1543 60.4046 71.8704 173.3205 18 V 4.5082 8.1022 121.0827 60.0566 34.3414 174.9393 19 S 4.6705 8.5230 118.1951 56.6383 66.0714 173.2035 20 L 4.6011 8.4466 124.5303 53.3939 42.7997 176.3669 21 V 4.5431 7.9740 115.1397 59.9306 35.5263 174.4479 22 A 4.5547 7.9896 122.1463 51.6615 21.7191 175.6943 23 G 3.9614 8.1148 108.1686 45.3821 0.0000 172.3987 24 S 4.6030 8.4821 113.1888 57.2053 66.3288 173.3216 25 S 4.4740 7.9163 112.3471 57.9608 64.6067 175.2585 26 E 4.5340 8.6705 124.8698 55.8710 30.6149 175.7460 27 G 4.2036 7.8339 106.9771 44.9228 0.0000 173.6321 28 E 4.1736 8.7284 119.8220 58.3090 30.1221 177.5579 29 T 4.7661 7.4221 107.9552 58.3754 73.3846 172.7259 30 P 4.2617 0.0000 0.0000 65.8082 31.2582 178.8048 31 L 4.0705 7.8662 118.6249 58.1418 42.0307 178.5669 32 N 4.3996 8.4294 116.3920 55.9234 38.3948 177.3432 33 A 4.1564 8.2501 122.5925 54.9398 18.4808 179.4483 34 F 4.0709 8.4237 119.2294 61.4688 39.5011 176.6900 35 D 4.4055 8.6502 118.1782 57.4713 40.9495 178.5380 36 G 3.6605 8.5923 107.3153 47.2106 0.0000 175.5199 37 A 3.9404 8.0365 123.2253 54.7945 18.2635 179.7693 38 L 3.7643 7.7204 117.5217 57.8048 41.6911 179.6906 39 L 3.9228 7.9668 119.0185 57.8433 41.3277 179.1430 40 N 4.3007 8.1461 115.8582 56.3601 38.9824 176.2265 41 A 4.4424 7.2541 121.7432 52.1013 18.6767 178.2030 42 G 3.8904 8.1626 105.2495 45.5262 0.0000 173.5100 43 I 4.6315 7.8432 118.1962 60.3842 38.5579 176.6517 44 G 3.7354 8.3443 108.7659 46.8207 0.0000 174.8737 45 N 4.9520 8.0482 116.2355 52.9554 39.0651 174.5111 46 V 4.4990 7.4680 109.8586 59.4732 35.4246 174.8329 47 N 4.6971 8.5291 119.0028 52.1287 38.9700 175.0584 48 L 4.2465 8.4800 124.1672 53.9068 42.4951 176.5134 49 I 4.2017 8.0879 125.1935 59.1840 37.1484 175.3876 50 R 3.9881 8.4992 126.8329 56.1306 30.4276 175.8123 51 I 4.4954 8.1776 118.8706 59.3665 39.6827 175.6794 52 S 4.2028 8.2774 115.7258 58.7104 63.0194 173.6953 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 A 8.26 4.31 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 4 E 7.93 4.14 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 5 I 8.07 4.34 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.88 0.00 0.00 6 N 8.51 4.72 0.00 2.69 2.63 0.00 0.00 7.22 7.71 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 7 P 0.00 4.19 0.00 2.04 2.06 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 8 L 8.17 4.22 0.00 1.67 1.72 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.05 4.75 0.00 3.10 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.82 3.51 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.31 4.14 0.00 3.07 3.10 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 0.00 0.00 0.00 0.00 12 F 6.02 4.30 0.00 2.96 2.75 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 0.00 0.00 0.00 13 K 7.00 4.35 0.00 1.61 1.50 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.36 7.81 14 L 8.06 4.32 0.00 1.66 1.58 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.40 0.00 2.03 1.97 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 16 N 8.65 5.05 0.00 2.76 2.84 0.00 0.00 5.85 7.71 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 17 T 7.59 4.77 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 18 V 8.10 4.51 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 0.79 0.00 0.00 0.93 0.00 0.00 19 S 8.52 4.67 0.00 3.82 3.75 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 0.00 0.00 0.00 20 L 8.45 4.60 0.00 1.62 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.97 4.54 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 0.70 0.00 0.00 0.90 0.00 0.00 22 A 7.99 4.55 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 23 G 8.11 3.96 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 0.00 0.00 0.00 24 S 8.48 4.60 0.00 3.94 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 25 S 7.92 4.47 0.00 3.79 3.83 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 0.00 0.00 0.00 0.00 26 E 8.67 4.53 0.00 2.00 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 0.00 2.28 2.24 0.00 27 G 7.83 4.20 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 0.00 28 E 8.73 4.17 0.00 1.98 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 2.32 2.30 0.00 29 T 7.42 4.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 P 0.00 4.26 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 31 L 7.87 4.07 0.00 1.75 1.68 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.43 4.40 0.00 2.82 2.87 0.00 0.00 6.85 6.67 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 33 A 8.25 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.42 4.07 0.00 3.22 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.65 4.41 0.00 3.01 2.87 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 0.00 0.00 0.00 0.00 36 G 8.59 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 37 A 8.04 3.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.72 3.76 0.00 1.67 1.57 0.78 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.97 3.92 0.00 1.84 1.68 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.15 4.30 0.00 2.77 2.97 0.00 0.00 7.25 7.52 0.00 0.00 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 A 7.25 4.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.84 4.63 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.97 0.90 0.00 0.00 44 G 8.34 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 4.95 0.00 2.69 2.81 0.00 0.00 6.71 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 46 V 7.47 4.50 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 0.74 0.00 0.00 0.98 0.00 0.00 47 N 8.53 4.70 0.00 2.71 2.77 0.00 0.00 6.95 7.85 0.00 0.00 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 L 8.48 4.25 0.00 1.70 1.65 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.09 4.20 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.91 0.00 0.00 50 R 8.50 3.99 0.00 1.79 1.85 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 51 I 8.18 4.50 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.96 0.00 0.00 52 S 8.28 4.20 0.00 3.93 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