NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.4810 8.1776 115.4128 57.8645 64.6162 175.8026 30 K 3.8846 8.3120 122.7744 58.7188 32.7890 176.1347 31 Q 4.2682 8.7492 118.2951 57.7946 30.8036 179.1900 32 K 4.0002 8.0028 118.4572 58.8440 32.0279 179.4274 33 V 3.6087 7.4346 118.6788 64.9578 31.2308 178.2357 34 Q 3.8651 8.0619 118.7331 58.9671 28.5055 179.0912 35 M 3.9874 7.6672 119.4112 58.2425 31.8826 179.1201 36 S 3.7211 7.8548 114.9944 61.5880 62.9804 176.5452 37 I 3.8362 7.6776 122.4397 64.8275 36.7373 178.1103 38 H 4.1972 8.0917 116.8311 59.0315 28.7241 177.6333 39 Q 3.8220 8.1007 121.3530 59.1663 28.8556 178.3233 40 F 4.2405 8.3856 119.1047 60.7423 38.9552 177.6677 41 T 3.9075 8.1940 115.5504 66.7626 68.1720 175.9364 42 N 4.2951 8.3176 118.8815 56.8190 38.4057 176.9710 43 I 3.7275 7.6389 120.6383 64.7974 37.2178 177.9317 44 C 4.4095 8.7512 117.7742 59.6609 40.6238 175.7638 45 F 4.0853 8.8548 122.7708 61.3570 38.7337 177.0652 46 K 3.8603 7.5199 116.0059 59.8496 32.0336 179.1856 47 K 4.1432 7.5769 115.8948 58.7277 32.0681 177.9260 48 C 4.7595 8.2799 115.2237 56.3361 42.3786 174.5414 49 V 3.8629 6.9745 121.1598 60.2408 29.7041 174.3672 50 E 4.0598 8.3458 124.9484 58.1639 29.8126 177.1507 51 S 4.4991 7.5261 109.4303 56.7824 65.7645 173.7071 52 V 4.1933 8.2547 122.3875 61.5490 31.2083 174.6048 53 N 5.0130 8.5305 122.2620 51.9985 38.2699 173.1435 54 D 4.6254 7.6974 117.0120 53.1605 42.1539 174.3895 55 S 4.5233 8.4062 111.9838 59.0287 63.2266 173.8692 56 N 4.6099 7.9115 117.2533 52.6596 39.0641 174.4145 57 L 4.3597 8.3488 122.8075 53.9153 42.2806 177.2836 58 S 4.4065 9.4947 119.8457 57.6117 63.9592 175.1218 59 S 4.1992 8.6543 115.2099 62.3073 62.4120 175.6535 60 Q 3.8027 8.2703 122.7797 59.2596 28.5568 178.4991 61 E 4.0550 8.3499 118.6309 58.7569 29.3424 178.6743 62 E 3.9896 8.1284 121.0991 59.0739 29.6604 178.1529 63 Q 3.9761 8.2439 119.7550 58.8875 29.1274 176.8801 64 C 4.1608 8.1647 119.1541 59.7124 39.8528 175.1178 65 L 3.9213 7.7071 121.8896 58.1848 41.7207 179.0991 66 S 4.1680 7.8283 113.7021 61.1578 63.3141 175.8154 67 N 4.2100 8.2469 120.4326 56.3247 38.3384 175.9958 68 C 4.0762 8.4691 119.8739 60.0036 44.3894 175.8073 69 V 3.2602 7.4095 119.3490 66.0280 30.9691 177.7323 70 N 4.2421 7.9627 115.7176 56.4569 38.4854 177.3305 71 R 3.8726 8.4532 120.3986 59.3966 30.0652 178.3316 72 F 3.6887 8.3212 120.4685 61.1518 39.5869 177.1507 73 L 4.1006 8.0288 118.6386 57.8894 41.4097 179.1194 74 D 4.3757 8.4393 119.1991 57.6891 40.6752 179.0403 75 T 3.7581 7.7232 115.9205 66.6822 68.3692 176.0656 76 N 4.2764 8.0506 118.2495 56.6352 38.6485 177.4512 77 I 3.6815 7.6058 120.2865 64.3634 37.1939 178.2780 78 R 3.8718 7.9948 119.4649 59.6185 29.8510 178.5511 79 I 3.6902 8.0142 119.8445 64.3729 36.9208 178.9010 80 V 3.6509 7.8631 118.9514 64.7414 31.5937 177.7247 81 N 4.5389 8.6893 117.8263 56.2112 38.3522 177.5123 82 G 3.7511 8.2461 106.8412 47.9276 0.0000 175.4373 83 L 4.1561 7.8494 119.8696 56.5238 41.6155 177.8097 84 Q 4.6073 7.6832 116.4861 55.4659 29.1079 175.3681 85 N 4.5916 7.6754 121.9510 53.4480 38.9217 174.5079 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 29 S 8.18 4.48 0.00 4.02 4.15 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 0.00 0.00 0.00 0.00 30 K 8.31 3.88 0.00 1.96 1.99 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.48 7.81 31 Q 8.75 4.27 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 K 8.00 4.00 0.00 1.81 1.88 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.48 7.81 33 V 7.43 3.61 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 0.81 0.00 0.00 0.94 0.00 0.00 34 Q 8.06 3.87 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 35 M 7.67 3.99 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 36 S 7.85 3.72 0.00 3.93 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 3.84 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.88 0.94 0.00 0.00 38 H 8.09 4.20 0.00 3.29 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.10 3.82 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 1.88 2.19 0.00 40 F 8.39 4.24 0.00 3.02 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 41 T 8.19 3.91 4.44 0.00 0.00 0.00 0.00 0.00 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 42 N 8.32 4.30 0.00 2.87 2.97 0.00 0.00 7.31 8.07 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 43 I 7.64 3.73 1.81 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.97 0.00 0.00 44 C 8.75 4.41 0.00 3.07 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 4.09 0.00 3.15 3.11 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 46 K 7.52 3.86 0.00 2.11 1.91 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.81 7.81 47 K 7.58 4.14 0.00 1.78 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.65 7.81 48 C 8.28 4.76 0.00 2.96 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 49 V 6.97 3.86 1.11 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 0.44 0.00 0.00 0.63 0.00 0.00 50 E 8.35 4.06 0.00 1.91 1.93 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 2.26 2.24 0.00 51 S 7.53 4.50 0.00 3.94 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 52 V 8.25 4.19 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 0.91 0.00 0.00 0.99 0.00 0.00 53 N 8.53 5.01 0.00 2.79 2.83 0.00 0.00 6.07 8.06 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 54 D 7.70 4.63 0.00 2.76 2.67 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 55 S 8.41 4.52 0.00 3.85 3.93 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 56 N 7.91 4.61 0.00 2.91 2.74 0.00 0.00 6.96 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 57 L 8.35 4.36 0.00 1.65 1.63 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.49 4.41 0.00 3.93 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 59 S 8.65 4.20 0.00 4.07 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 60 Q 8.27 3.80 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 61 E 8.35 4.05 0.00 2.26 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 0.00 2.49 2.31 0.00 62 E 8.13 3.99 0.00 2.39 2.02 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 2.31 2.32 0.00 63 Q 8.24 3.98 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 64 C 8.16 4.16 0.00 3.02 3.22 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 65 L 7.71 3.92 0.00 2.05 1.73 0.97 1.48 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 66 S 7.83 4.17 0.00 4.08 4.09 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 0.00 0.00 0.00 0.00 67 N 8.25 4.21 0.00 2.97 2.93 0.00 0.00 6.64 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.47 4.08 0.00 3.09 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 3.26 1.95 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 0.53 0.00 0.00 0.91 0.00 0.00 70 N 7.96 4.24 0.00 2.93 2.82 0.00 0.00 6.70 7.46 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 71 R 8.45 3.87 0.00 2.12 1.96 0.00 3.13 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 72 F 8.32 3.69 0.00 3.33 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.03 4.10 0.00 1.88 1.71 0.81 0.93 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 74 D 8.44 4.38 0.00 2.80 2.70 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 0.00 0.00 0.00 75 T 7.72 3.76 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 1.00 0.00 0.00 76 N 8.05 4.28 0.00 3.00 2.96 0.00 0.00 7.11 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.61 3.68 1.87 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 1.42 0.83 0.92 0.00 0.00 78 R 7.99 3.87 0.00 2.08 2.00 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 79 I 8.01 3.69 2.07 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 1.54 0.49 0.91 0.00 0.00 80 V 7.86 3.65 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 0.86 0.00 0.00 0.94 0.00 0.00 81 N 8.69 4.54 0.00 2.92 2.91 0.00 0.00 6.91 7.57 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 82 G 8.25 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 0.00 0.00 0.00 83 L 7.85 4.16 0.00 1.81 1.75 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.68 4.61 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 85 N 7.68 4.59 0.00 2.77 2.68 0.00 0.00 6.70 7.46 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