NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3267 8.1933 115.2928 58.0469 63.5092 172.1095 3 E 4.5736 8.8763 127.4339 54.5633 30.6800 173.7491 4 K 5.0401 9.2372 126.6500 54.5733 35.7311 175.0458 5 A 4.8054 8.7802 125.7357 50.2527 21.7209 175.7912 6 C 4.5159 8.8852 123.0713 59.4109 32.1329 174.8405 7 R 3.9674 8.6680 125.6533 59.2610 29.8991 177.8746 8 H 4.4191 8.4865 118.2086 58.4350 30.1176 175.3874 9 C 4.8004 7.8740 108.9625 57.5692 30.5510 174.0005 10 H 4.2829 8.5656 116.6960 56.3595 26.8502 173.9987 11 Y 3.9875 7.7172 121.1050 57.6096 39.9864 174.2652 12 I 4.6360 6.9418 125.2748 59.8874 39.1902 175.1281 13 T 4.7199 8.5697 120.0523 60.8343 70.6099 174.5441 14 S 4.5746 9.0279 120.5381 59.0792 64.0249 174.1381 15 E 4.3822 7.4734 117.5492 55.6264 31.1571 175.3703 16 D 4.7398 8.4814 116.3824 54.7552 41.8159 176.7979 17 R 4.7743 7.4925 116.9035 53.6687 33.9002 174.6172 18 C 4.1416 8.9128 122.1289 59.2521 31.6730 172.7014 19 P 4.4316 0.0000 0.0000 64.0137 31.7492 177.0612 20 V 3.7887 7.5453 118.4152 64.6753 32.0441 176.1457 21 C 4.3828 8.0175 110.9060 57.7564 30.5245 174.4485 22 G 3.9247 8.1323 109.1684 45.1876 0.0000 174.0542 23 S 4.1604 7.7450 114.2281 58.7378 62.8464 174.3633 24 R 4.3840 8.3249 123.4152 56.4667 31.0127 176.9241 25 D 4.7097 8.0416 121.0752 52.9988 39.2333 174.4950 26 L 5.1990 7.7176 120.0769 52.7931 44.6399 176.3782 27 S 4.8023 9.0502 116.9431 56.6062 65.1054 174.7356 28 E 4.0662 9.1875 125.3738 57.8958 29.7809 176.1156 29 E 4.3593 8.2022 121.6200 54.6586 30.4285 174.4915 30 W 5.5199 7.2152 122.3368 55.6575 31.2409 173.5462 31 F 4.7713 9.3900 119.0733 56.8984 43.7989 171.4669 32 D 4.3297 9.1884 124.7744 54.2944 37.2632 171.8269 33 L 4.9351 8.5281 125.2303 54.4189 43.1507 175.8615 34 V 4.5897 9.1746 119.9486 59.5770 34.8074 174.6900 35 I 4.9526 8.4053 124.6810 59.6834 39.7772 174.7698 36 I 4.3172 9.1265 128.9040 60.0570 38.3916 176.5872 37 V 3.7861 8.6396 126.6321 63.9012 32.4603 174.9938 38 D 4.6976 7.6564 120.3198 52.0549 42.4149 175.7242 39 V 3.6170 8.4668 127.3667 65.7990 32.0256 177.0005 40 E 4.0764 8.3506 119.3398 59.1475 29.5547 177.2241 41 N 4.5338 8.6826 114.2694 54.2312 39.4833 175.1255 42 S 4.3800 7.7927 114.5553 57.2423 62.9307 174.3791 43 E 3.9790 8.8146 128.8238 59.0973 29.3434 178.4484 44 I 3.6286 7.8219 119.4446 64.3667 37.1203 177.9292 45 A 3.8197 8.0898 121.3803 54.9245 18.0637 179.4803 46 K 3.7766 7.8451 117.9024 59.5605 32.0663 178.6867 47 K 3.8817 8.1149 119.0582 59.3270 32.2363 177.9338 48 I 4.0759 7.8219 110.1763 60.2240 38.1049 175.6748 49 G 3.7196 7.5223 108.3735 46.6266 0.0000 173.7982 50 A 4.0339 7.9462 123.0035 51.4042 18.8706 178.6298 51 K 4.4945 8.7219 120.6135 55.9223 34.2981 176.5161 52 V 4.4701 7.7101 118.1043 59.6098 33.8638 173.3025 53 P 4.5703 0.0000 0.0000 62.4567 32.0023 177.1178 54 G 3.6727 7.8696 108.0967 45.4789 0.0000 170.8188 55 K 4.7240 7.2834 119.8931 55.7290 33.9232 175.7837 56 Y 4.9964 9.2833 120.8090 56.2077 42.7337 173.8541 57 A 4.9873 8.3275 122.9902 50.6346 20.8976 177.0899 58 I 3.9582 8.8293 123.1983 64.1596 38.0079 176.7573 59 R 4.6458 8.2502 123.3411 54.7039 31.7490 175.3457 60 V 4.6717 8.5444 124.8335 61.3121 32.9891 175.7612 61 R 4.4283 9.0001 126.6958 56.4245 30.4044 175.4041 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 2 S 8.19 4.33 0.00 3.88 3.82 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 3 E 8.88 4.57 0.00 2.24 2.19 0.00 0.00 0.00 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 2.49 0.00 4 K 9.24 5.04 0.00 1.76 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.46 7.81 5 A 8.78 4.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 4.52 0.00 3.00 2.95 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 7 R 8.67 3.97 0.00 2.01 2.00 0.00 3.54 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 8 H 8.49 4.42 0.00 3.10 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 7.87 4.80 0.00 3.21 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 10 H 8.57 4.28 0.00 3.65 3.81 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.72 3.99 0.00 2.85 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 12 I 6.94 4.64 1.38 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.03 0.61 0.00 0.00 13 T 8.57 4.72 4.33 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 1.26 0.00 0.00 14 S 9.03 4.57 0.00 4.02 3.97 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 15 E 7.47 4.38 0.00 2.14 2.04 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 2.30 2.39 0.00 16 D 8.48 4.74 0.00 2.66 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 17 R 7.49 4.77 0.00 1.73 1.88 0.00 3.20 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 18 C 8.91 4.14 0.00 2.92 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 19 P 0.00 4.43 0.00 2.10 2.12 0.00 3.52 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 2.07 2.10 0.00 20 V 7.55 3.79 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 -0.13 0.00 0.00 21 C 8.02 4.38 0.00 3.10 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 22 G 8.13 3.92 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 0.00 0.00 0.00 23 S 7.74 4.16 0.00 3.78 3.73 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 24 R 8.32 4.38 0.00 1.83 1.94 0.00 3.25 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 25 D 8.04 4.71 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 5.20 0.00 1.57 1.56 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.05 4.80 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 9.19 4.07 0.00 1.99 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 0.00 2.33 2.32 0.00 29 E 8.20 4.36 0.00 2.06 1.92 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 2.25 2.21 0.00 30 W 7.22 5.52 0.00 3.36 2.93 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 31 F 9.39 4.77 0.00 3.02 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 32 D 9.19 4.33 0.00 3.05 2.86 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 0.00 33 L 8.53 4.94 0.00 2.08 1.78 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 V 9.17 4.59 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 0.72 0.00 0.00 1.00 0.00 0.00 35 I 8.41 4.95 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.92 0.00 0.00 36 I 9.13 4.32 2.07 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.95 0.00 0.00 37 V 8.64 3.79 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 0.80 0.00 0.00 0.95 0.00 0.00 38 D 7.66 4.70 0.00 2.67 2.50 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 0.00 0.00 0.00 0.00 39 V 8.47 3.62 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 0.91 0.00 0.00 1.02 0.00 0.00 40 E 8.35 4.08 0.00 1.97 1.96 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 2.29 2.28 0.00 41 N 8.68 4.53 0.00 2.80 2.85 0.00 0.00 7.04 7.22 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 42 S 7.79 4.38 0.00 3.89 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 43 E 8.81 3.98 0.00 2.11 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 2.36 2.44 0.00 44 I 7.82 3.63 1.85 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 1.56 0.50 0.87 0.00 0.00 45 A 8.09 3.82 1.30 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 0.00 0.00 46 K 7.85 3.78 0.00 1.85 1.94 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 47 K 8.11 3.88 0.00 1.73 1.91 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 48 I 7.82 4.08 1.72 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.55 0.88 0.00 0.00 49 G 7.52 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 4.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.72 4.49 0.00 1.76 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.33 7.81 52 V 7.71 4.47 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.89 0.00 0.00 53 P 0.00 4.57 0.00 2.29 2.27 0.00 3.95 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 54 G 7.87 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.28 4.72 0.00 1.21 1.34 0.00 1.50 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.29 7.81 56 Y 9.28 5.00 0.00 2.67 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 57 A 8.33 4.99 0.89 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 58 I 8.83 3.96 2.18 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 1.51 0.91 0.96 0.00 0.00 59 R 8.25 4.65 0.00 2.10 2.11 0.00 3.10 0.00 0.00 3.56 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 60 V 8.54 4.67 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 0.83 0.00 0.00 0.82 0.00 0.00 61 R 9.00 4.43 0.00 1.88 1.91 0.00 3.51 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00