NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4809 8.1593 117.3236 62.9208 70.0873 173.3526 2 P 4.4420 0.0000 0.0000 61.5594 33.2748 173.7696 3 D 4.5519 8.8116 121.1863 55.4059 41.3450 177.0052 4 C 4.8950 9.0420 122.2522 57.6687 42.3895 174.2727 5 V 4.6386 7.2962 116.5048 60.5718 34.4577 172.8059 6 T 4.9270 8.7093 119.1637 61.2967 71.4909 173.8719 7 G 3.8970 8.0568 111.4989 46.5392 0.0000 171.7798 8 K 4.8047 8.4127 118.7464 55.4009 33.5724 177.7402 9 V 3.8239 8.1763 122.5101 62.6095 31.2698 175.4352 10 E 4.2943 8.8712 130.7521 59.2714 30.4509 175.6255 11 Y 4.9273 7.0269 115.3037 56.7675 41.0477 172.9029 12 T 5.0760 8.5259 108.8539 60.3753 72.5656 173.2678 13 K 4.3995 7.5968 121.8848 55.6945 36.2032 173.8703 14 Y 4.8144 8.7680 125.7721 57.1865 38.8842 175.3691 15 N 4.7747 9.1750 122.6398 52.0610 40.0051 175.9066 16 D 4.3823 8.6987 119.9043 57.6323 41.3409 176.9941 17 D 4.6530 8.0642 115.2504 53.1782 39.1619 175.4296 18 D 4.5379 7.8987 117.0625 56.2667 38.8739 173.3217 19 T 4.7397 7.9463 108.5542 59.9474 72.5984 172.5520 20 F 5.1349 8.8678 122.3584 56.9955 42.6936 173.2021 21 T 5.1705 8.5092 123.3387 62.0880 70.8224 174.2135 22 V 4.6684 8.8489 118.1853 59.2914 36.1088 174.3742 23 K 4.6487 7.9030 123.9746 54.5873 34.4429 174.9900 24 V 4.4950 7.9756 127.2045 60.8856 34.4900 174.7406 25 G 3.8013 8.8619 116.2864 47.3339 0.0000 173.6566 26 D 4.8316 8.7485 123.6496 52.5160 39.7446 175.6472 27 K 4.7759 7.8331 119.0960 55.1670 35.6038 174.8702 28 E 4.8281 9.4300 124.9226 55.1715 31.0006 175.3324 29 L 5.5063 8.9267 124.3990 52.8133 46.1216 175.4544 30 F 5.6068 9.2268 114.7610 55.6001 41.8662 173.6243 31 T 4.3061 9.0200 114.5074 60.0689 70.7122 173.7323 32 N 4.5749 8.3846 122.9064 52.4639 38.0451 174.7623 33 R 3.9545 7.3751 119.5030 55.2316 30.5584 177.3431 34 W 4.1949 8.2140 124.1529 59.9342 27.6261 178.1521 35 N 4.4215 8.4854 115.8626 56.3446 37.9768 177.0081 36 L 4.2533 7.9640 119.8651 56.9501 41.6545 179.3924 37 Q 3.2956 7.8824 119.0042 58.8086 28.6181 178.8685 38 S 4.1791 7.9099 114.5326 61.1425 63.1852 176.2587 39 L 3.9280 7.4317 122.4761 57.6319 41.2786 179.3557 40 L 4.3224 8.2833 119.0514 57.6040 41.5092 179.4800 41 L 4.1294 8.2436 119.1931 57.9641 41.6476 179.6760 42 S 4.1218 8.1895 114.8903 61.5766 62.7848 176.5840 43 A 4.1025 8.3290 123.5723 55.1100 17.9421 179.5269 44 Q 3.9152 8.2852 118.0903 59.5457 29.0587 178.4113 45 I 3.7752 8.0019 118.4969 63.3493 38.0968 176.8076 46 T 4.4517 7.6703 107.7825 60.4422 69.3568 174.5045 47 G 3.8475 7.8097 109.4921 47.1764 0.0000 174.1616 48 M 4.4280 8.0055 118.1431 55.1501 33.3397 176.3481 49 T 4.6170 8.2652 117.6234 62.6444 70.3013 174.6570 50 V 4.8060 8.6925 119.3049 59.7195 35.7445 174.6655 51 T 4.8233 8.4707 119.6791 61.9338 71.1984 173.1276 52 I 4.3861 8.6612 127.8882 59.4576 39.5133 174.7731 53 K 4.8384 7.9653 125.9442 55.0752 33.8600 175.5817 54 T 4.3154 8.2558 117.1825 61.3694 70.8204 172.4029 55 N 4.7376 8.8952 123.1738 52.6018 38.2431 175.6222 56 A 4.6864 7.9189 121.8060 51.4557 18.6722 177.1384 57 C 4.7230 7.6629 124.6984 53.6594 42.5101 171.5001 58 H 4.8284 7.3261 117.5577 53.7069 31.1763 173.7119 59 N 4.6250 8.7140 117.7517 55.4254 38.5722 175.8032 60 G 4.0431 9.5161 111.2027 45.3849 0.0000 173.7081 61 G 3.9640 7.5427 107.3891 45.1309 0.0000 173.8456 62 G 4.0676 8.3809 109.0893 45.6695 0.0000 172.7029 63 F 5.1499 7.4378 114.6373 55.3374 40.9680 174.3592 64 S 4.4721 8.6603 110.9035 57.7242 64.7332 173.2699 65 E 4.8537 8.2070 120.3651 54.9798 33.2207 174.6785 66 V 4.7737 8.3726 122.3034 61.4138 35.0980 173.5896 67 I 4.5005 8.5383 127.6611 59.4953 39.8406 174.3349 68 F 5.0364 8.9431 125.1310 55.7893 40.9951 175.9423 69 R 4.3400 9.0401 122.0419 56.3700 30.9461 175.3079 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 T 8.16 4.48 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 1.22 0.00 0.00 2 P 0.00 4.44 0.00 2.25 2.15 0.00 3.42 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 3 D 8.81 4.55 0.00 2.54 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.04 4.89 0.00 3.04 3.12 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 5 V 7.30 4.64 1.99 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 0.58 0.00 0.00 0.89 0.00 0.00 6 T 8.71 4.93 4.19 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 0.00 0.00 1.20 0.00 0.00 7 G 8.06 3.90 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 0.00 8 K 8.41 4.80 0.00 1.64 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.42 7.81 9 V 8.18 3.82 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 0.75 0.00 0.00 0.93 0.00 0.00 10 E 8.87 4.29 0.00 1.92 1.74 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 2.44 2.29 0.00 11 Y 7.03 4.93 0.00 2.99 3.02 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 12 T 8.53 5.08 3.68 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 0.00 0.00 0.00 1.29 0.00 0.00 13 K 7.60 4.40 0.00 1.88 1.55 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.42 7.81 14 Y 8.77 4.81 0.00 3.00 3.02 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 15 N 9.17 4.77 0.00 2.99 2.71 0.00 0.00 6.19 8.67 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 16 D 8.70 4.38 0.00 2.63 2.71 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 0.00 0.00 0.00 0.00 17 D 8.06 4.65 0.00 2.78 2.71 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 0.00 0.00 0.00 0.00 18 D 7.90 4.54 0.00 2.95 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 19 T 7.95 4.74 4.62 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 1.33 0.00 0.00 20 F 8.87 5.13 0.00 3.09 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 21 T 8.51 5.17 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 1.29 0.00 0.00 22 V 8.85 4.67 1.99 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 0.78 0.00 0.00 0.92 0.00 0.00 23 K 7.90 4.65 0.00 0.85 0.74 0.00 1.39 0.00 0.00 1.42 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.11 1.12 7.81 24 V 7.98 4.50 1.89 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 0.82 0.00 0.00 0.75 0.00 0.00 25 G 8.86 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 0.00 0.00 0.00 26 D 8.75 4.83 0.00 2.77 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 27 K 7.83 4.78 0.00 1.71 1.65 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.45 7.81 28 E 9.43 4.83 0.00 1.94 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 2.29 0.00 29 L 8.93 5.51 0.00 1.51 1.77 0.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.23 5.61 0.00 3.07 3.07 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 31 T 9.02 4.31 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 1.06 0.00 0.00 32 N 8.38 4.57 0.00 2.58 2.84 0.00 0.00 6.10 7.66 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 33 R 7.38 3.95 0.00 1.74 1.83 0.00 3.21 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 34 W 8.21 4.19 0.00 3.30 3.24 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 0.00 35 N 8.49 4.42 0.00 2.80 2.93 0.00 0.00 7.14 6.74 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 36 L 7.96 4.25 0.00 1.89 1.77 0.96 1.16 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 37 Q 7.88 3.30 0.00 1.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 1.16 2.18 0.00 38 S 7.91 4.18 0.00 4.04 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 39 L 7.43 3.93 0.00 2.02 1.43 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.28 4.32 0.00 2.12 1.98 1.33 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.24 4.13 0.00 1.90 1.81 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.19 4.12 0.00 4.01 3.90 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 43 A 8.33 4.10 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 3.92 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 45 I 8.00 3.78 1.92 0.00 0.00 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 1.61 0.83 1.02 0.00 0.00 46 T 7.67 4.45 4.26 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 1.26 0.00 0.00 47 G 7.81 3.85 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 0.00 48 M 8.01 4.43 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 49 T 8.27 4.62 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 1.18 0.00 0.00 50 V 8.69 4.81 1.72 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 0.70 0.00 0.00 0.81 0.00 0.00 51 T 8.47 4.82 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 1.12 0.00 0.00 52 I 8.66 4.39 1.52 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.58 0.08 0.00 0.00 53 K 7.97 4.84 0.00 1.70 1.67 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.27 7.81 54 T 8.26 4.32 4.26 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 1.14 0.00 0.00 55 N 8.90 4.74 0.00 2.85 2.87 0.00 0.00 5.84 7.26 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 56 A 7.92 4.69 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 57 C 7.66 4.72 0.00 2.90 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.33 4.83 0.00 3.37 3.37 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.71 4.63 0.00 2.78 2.87 0.00 0.00 7.02 7.65 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 60 G 9.52 4.04 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 0.00 0.00 0.00 61 G 7.54 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 62 G 8.38 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 63 F 7.44 5.15 0.00 3.04 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 64 S 8.66 4.47 0.00 3.84 3.76 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 0.00 0.00 0.00 65 E 8.21 4.85 0.00 1.90 1.83 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 2.29 2.28 0.00 66 V 8.37 4.77 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 67 I 8.54 4.50 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.91 0.00 0.00 68 F 8.94 5.04 0.00 2.87 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 69 R 9.04 4.34 0.00 1.71 1.76 0.00 3.14 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00