NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3584 8.1744 110.9445 61.4278 70.2395 173.6804 6 N 4.7399 8.1279 117.0768 53.1036 40.2558 172.4104 7 S 4.4789 8.7877 114.4659 58.8909 64.8268 172.6769 8 D 4.8254 8.5820 120.8140 54.9484 41.7385 175.6653 9 F 5.3338 7.8829 114.2804 55.3450 41.6806 173.7016 10 V 4.4975 8.7910 118.6646 61.0720 34.8699 174.0809 11 V 4.8373 8.8404 126.9155 61.3510 33.8734 174.3740 12 I 4.9227 8.9302 128.3104 59.4031 40.6515 174.0649 13 K 4.9627 9.2103 129.0284 54.1913 34.5375 174.9963 14 A 4.4316 8.8085 130.2787 52.4467 18.8754 177.5104 15 L 4.6343 9.0941 123.1113 55.1053 42.5495 176.1905 16 E 4.7006 7.7406 115.4665 54.4805 32.6589 174.4182 17 D 4.3962 8.3770 119.0656 55.6555 41.2964 176.7364 18 G 3.8545 8.5548 109.6314 46.1438 0.0000 173.9485 19 V 3.9148 7.6682 119.8932 62.6676 32.8966 174.4876 20 N 5.3355 9.1701 125.0137 51.4374 41.4669 173.6158 21 V 4.6084 8.7494 124.1983 61.3415 33.7307 174.1757 22 I 4.6746 8.8199 129.9127 59.3188 39.6739 175.1946 23 G 4.0196 8.7940 115.2770 45.6155 0.0000 172.4119 24 L 5.5821 8.7615 125.1375 52.9913 44.3035 176.1709 25 T 4.5857 8.7279 113.9986 61.6569 69.4925 174.3163 26 R 4.4751 7.7174 125.4756 56.4671 30.9496 175.2991 27 G 3.7942 8.8504 110.3049 43.7023 0.0000 173.0220 28 A 4.0519 8.5144 121.7912 54.6660 18.5444 177.8071 29 D 4.6685 7.8839 114.8000 53.6263 42.2063 175.2357 30 T 4.8339 8.1457 122.6557 61.8758 71.0447 173.3208 31 R 4.5124 8.5276 120.9992 55.1086 33.4445 173.9634 32 F 5.2131 8.6597 119.4983 58.0374 38.9286 175.1512 33 H 5.0115 9.0098 118.3281 56.1219 30.5889 173.8535 34 H 4.8388 7.6972 117.7878 54.8895 33.4298 171.9974 35 S 4.7325 8.1259 118.7903 56.4798 64.8559 172.3962 36 E 4.4654 9.0684 129.8380 54.7477 30.9039 174.8792 37 K 4.8038 8.6153 127.0071 55.8414 33.5579 176.1775 38 L 4.9027 8.9619 125.0796 53.1050 44.6861 176.2799 39 D 5.0153 8.9636 123.6457 52.4789 43.2165 175.8932 40 K 3.9932 8.7319 121.5693 58.5226 32.3064 176.6895 41 G 4.0513 9.2390 115.3979 45.3088 0.0000 173.6708 42 E 4.2425 8.0173 119.2822 56.3234 30.7444 176.1780 43 V 4.9683 8.2765 121.7673 61.0027 34.5872 174.2417 44 L 4.7803 8.9064 129.0384 53.2441 44.9669 174.8065 45 I 5.0382 8.4930 126.2722 59.5261 39.5133 174.7736 46 A 4.6684 8.9699 128.8299 50.1685 21.9277 175.4654 47 Q 4.7603 8.7110 121.4049 55.1937 30.2516 175.9049 48 F 4.7209 8.5537 120.5996 57.9868 38.5950 175.1360 49 T 4.7408 9.0726 111.8337 59.8197 72.0399 173.9323 50 E 4.1510 8.9589 121.2013 59.2650 29.6011 177.1241 51 H 4.6783 7.8446 113.6111 55.8258 30.0544 173.9388 52 T 5.4889 8.5032 116.5593 60.8797 71.5681 174.2688 53 S 4.9990 9.0373 119.9897 58.0565 64.8680 173.2411 54 A 5.2558 7.8966 121.3252 51.2022 22.7144 175.2102 55 I 4.9663 8.4274 119.5597 59.4791 41.2009 174.5815 56 K 4.5646 8.9550 128.1604 54.5144 34.6223 174.6653 57 V 4.7829 8.3596 126.6144 61.0548 33.7552 174.4052 58 R 4.4752 9.0681 127.8731 55.6053 32.9156 175.1447 59 G 4.0950 9.0803 111.6122 44.1078 0.0000 172.4071 60 K 4.5180 9.2058 120.6798 56.0805 33.0351 175.5934 61 A 5.1229 8.7772 127.8137 50.8852 23.4657 173.7736 62 Y 4.8871 9.2238 122.3420 56.2237 40.6860 174.5031 63 I 5.0628 8.4931 127.5482 59.5366 40.8643 174.4244 64 Q 5.0343 9.0117 125.2046 54.3603 31.9241 174.8668 65 T 4.6225 8.5502 113.0641 59.3609 72.3544 174.4874 66 R 3.6818 8.5511 120.5812 59.7088 29.7775 176.4989 67 H 4.6300 7.9018 112.4357 55.2316 29.3910 173.6182 68 G 3.7403 7.5166 105.9689 43.9149 0.0000 172.6479 69 V 4.3345 8.0698 119.2486 62.0978 32.6416 176.4883 70 I 4.6765 8.5072 126.3072 59.4005 42.1004 173.1600 71 E 5.2058 8.6070 125.4376 54.4916 32.2345 175.9649 72 S 4.6411 8.7536 119.0365 57.7454 65.2200 172.8349 73 E 4.9017 8.5421 120.2537 54.2577 32.5062 176.3813 74 G 3.7176 8.6465 110.9349 45.9400 0.0000 173.3905 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 5 T 8.17 4.36 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 1.23 0.00 0.00 6 N 8.13 4.74 0.00 2.76 2.82 0.00 0.00 7.20 6.75 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 7 S 8.79 4.48 0.00 4.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.83 0.00 2.80 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 9 F 7.88 5.33 0.00 3.07 2.99 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 10 V 8.79 4.50 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 0.96 0.00 0.00 0.76 0.00 0.00 11 V 8.84 4.84 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 1.11 0.00 0.00 1.16 0.00 0.00 12 I 8.93 4.92 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.42 0.92 0.00 0.00 13 K 9.21 4.96 0.00 1.84 1.77 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.81 4.43 1.34 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 0.00 0.00 15 L 9.09 4.63 0.00 1.65 1.73 1.01 0.75 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 16 E 7.74 4.70 0.00 2.01 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 2.18 2.33 0.00 17 D 8.38 4.40 0.00 2.69 2.64 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 18 G 8.55 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 19 V 7.67 3.91 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 1.02 0.00 0.00 1.03 0.00 0.00 20 N 9.17 5.34 0.00 2.57 2.58 0.00 0.00 6.29 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 21 V 8.75 4.61 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 0.96 0.00 0.00 0.90 0.00 0.00 22 I 8.82 4.67 1.38 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 0.85 0.36 -0.04 0.00 0.00 23 G 8.79 4.02 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 0.00 0.00 0.00 24 L 8.76 5.58 0.00 1.90 1.71 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.73 4.59 4.30 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 1.32 0.00 0.00 26 R 7.72 4.48 0.00 1.91 2.00 0.00 3.19 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.05 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 29 D 7.88 4.67 0.00 2.64 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 30 T 8.15 4.83 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 1.27 0.00 0.00 31 R 8.53 4.51 0.00 1.84 1.96 0.00 3.15 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 32 F 8.66 5.21 0.00 2.88 2.89 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 33 H 9.01 5.01 0.00 3.15 3.48 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.70 4.84 0.00 3.29 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.13 4.73 0.00 3.74 3.59 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 36 E 9.07 4.47 0.00 2.19 1.80 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 2.25 2.32 0.00 37 K 8.62 4.80 0.00 1.66 1.71 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.67 1.43 7.81 38 L 8.96 4.90 0.00 1.52 1.53 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.96 5.02 0.00 2.61 2.68 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 0.00 40 K 8.73 3.99 0.00 1.82 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 41 G 9.24 4.05 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 0.00 0.00 0.00 42 E 8.02 4.24 0.00 2.09 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 2.32 2.25 0.00 43 V 8.28 4.97 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 0.85 0.00 0.00 0.94 0.00 0.00 44 L 8.91 4.78 0.00 1.76 1.45 0.91 0.75 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 45 I 8.49 5.04 1.77 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 1.27 0.79 0.71 0.00 0.00 46 A 8.97 4.67 1.12 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 0.00 0.00 47 Q 8.71 4.76 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 48 F 8.55 4.72 0.00 3.01 2.96 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 49 T 9.07 4.74 4.31 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 1.30 0.00 0.00 50 E 8.96 4.15 0.00 1.93 1.98 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 2.09 2.29 0.00 51 H 7.84 4.68 0.00 3.39 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.50 5.49 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 53 S 9.04 5.00 0.00 3.85 4.08 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 54 A 7.90 5.26 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 55 I 8.43 4.97 1.83 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.83 0.00 0.00 56 K 8.95 4.56 0.00 1.72 1.40 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.34 7.81 57 V 8.36 4.78 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 9.07 4.48 0.00 1.83 1.68 0.00 3.10 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.08 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 0.00 0.00 0.00 60 K 9.21 4.52 0.00 1.86 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.78 5.12 1.27 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 0.00 0.00 0.00 62 Y 9.22 4.89 0.00 2.98 2.83 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 63 I 8.49 5.06 1.91 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 0.62 0.86 0.00 0.00 64 Q 9.01 5.03 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 65 T 8.55 4.62 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 66 R 8.55 3.68 0.00 1.58 1.74 0.00 3.15 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 H 7.90 4.63 0.00 3.17 3.26 0.00 5.69 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 68 G 7.52 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 69 V 8.07 4.33 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 0.18 0.00 0.00 0.84 0.00 0.00 70 I 8.51 4.68 1.81 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 1.19 1.46 0.85 0.00 0.00 71 E 8.61 5.21 0.00 1.84 1.84 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 2.40 2.19 0.00 72 S 8.75 4.64 0.00 3.97 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 73 E 8.54 4.90 0.00 1.83 1.86 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 2.20 2.28 0.00 74 G 8.65 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