NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4789 8.3349 115.3032 57.7422 63.6372 173.4698 8 D 4.6591 8.5961 127.5519 53.2287 41.9553 174.5018 9 F 5.4110 8.8223 115.7089 55.6711 41.7642 173.5072 10 V 4.5797 8.8420 112.8337 59.6338 35.3717 174.7375 11 V 4.7845 8.5260 123.7927 61.5441 33.7584 174.6636 12 I 4.9029 8.9692 128.0247 59.5616 40.7304 173.9676 13 K 4.9501 9.1002 129.1541 54.5531 34.4509 174.9325 14 A 4.6283 8.8049 129.9523 51.5294 19.0890 177.6277 15 L 4.4521 8.9502 122.8564 55.9993 42.2632 176.7984 16 E 4.6981 7.7787 115.3642 54.5187 32.4084 174.4981 17 D 4.4034 8.4100 119.5767 55.9868 41.2815 176.8686 18 G 3.8347 8.7814 109.8963 46.1054 0.0000 174.1024 19 V 3.9503 7.8189 119.5445 62.6309 33.1799 174.7266 20 N 5.1911 8.9185 123.0812 52.0123 42.0005 173.2107 21 V 4.5128 8.9418 128.1791 61.5481 33.3409 174.3645 22 I 4.7050 9.2020 130.7164 59.5339 39.3976 175.0943 23 G 4.1545 9.1759 115.6315 45.2817 0.0000 172.4160 24 L 5.3394 9.0479 125.9348 53.0997 43.9411 176.3276 25 T 4.5544 8.4713 114.1083 62.0429 69.1862 174.0931 26 R 4.3276 7.9729 126.0442 56.4186 31.0466 175.1871 27 G 3.7365 8.6821 109.4202 44.0864 0.0000 173.2101 28 A 4.1108 8.5784 121.4792 54.0801 18.6954 177.6140 29 D 4.9125 7.8742 114.9625 52.8821 42.8743 175.7476 30 T 4.6709 8.3139 119.2096 62.1145 70.5543 173.7477 31 R 4.8853 8.6326 124.4989 54.4009 35.2538 174.6491 32 F 5.1365 8.9028 117.8034 57.3428 38.2970 174.6585 33 H 4.7966 9.0445 116.6932 56.0061 30.6322 173.5877 34 H 4.9711 7.9977 117.9268 55.0160 33.4486 172.1157 35 S 4.8910 8.2841 118.9518 56.5851 64.7937 172.3812 36 E 4.5054 9.0072 130.0675 54.6708 30.8365 174.9962 37 K 4.8773 8.6023 126.6437 55.6783 33.7085 176.2185 38 L 4.9842 8.9483 123.3892 53.1753 45.3333 176.0418 39 D 5.0421 9.2337 123.0320 52.2698 43.5071 175.7227 40 K 3.9549 8.7246 121.3843 59.1621 32.0861 176.7089 41 G 4.0318 9.4433 116.5235 45.0830 0.0000 173.3026 42 E 4.2444 8.3391 119.9862 56.3209 30.6567 176.1376 43 V 4.9366 8.3072 121.9668 61.0398 34.6470 174.3144 44 L 4.8134 9.0118 128.1577 53.2623 45.4383 175.0399 45 I 5.0136 8.5376 125.9899 59.6814 39.2318 174.5529 46 A 4.7651 8.9868 129.6009 50.1083 21.5850 175.4265 47 Q 4.9013 8.6129 120.8830 54.8867 30.6064 175.6295 48 F 4.6813 8.6242 120.3840 57.7951 39.9768 175.1828 49 T 4.7144 8.7868 111.3725 60.0259 72.0132 173.1321 50 E 3.9929 8.9641 121.5384 59.4439 29.5138 177.2879 51 H 4.5832 8.1813 113.7487 56.2104 30.0430 174.0339 52 T 5.7259 8.3837 116.9451 61.1297 70.3702 174.6234 53 S 5.0911 8.8736 119.7445 57.9336 65.0184 173.2160 54 A 5.0161 7.8581 120.9736 51.3415 22.4486 175.3193 55 I 5.0274 8.5786 121.1447 59.3073 40.6798 174.7328 56 K 4.5917 9.1163 127.9954 54.4943 34.8696 174.5778 57 V 4.8237 8.4446 126.7670 61.1859 33.6877 174.5816 58 R 4.5364 9.1619 126.9262 55.6014 33.0342 176.2537 59 G 3.9003 8.9589 108.6816 44.1326 0.0000 172.6024 60 K 4.5298 8.7651 119.8987 56.1339 32.6462 175.5730 61 A 5.1557 8.8349 128.7116 50.5142 23.4143 173.4891 62 Y 4.7406 8.9988 121.1663 56.1439 41.0692 174.6373 63 I 5.0038 8.0097 126.5052 59.6161 41.3014 174.1333 64 Q 5.1344 8.7715 125.9111 54.2940 31.5923 174.9418 65 T 4.6791 8.5592 112.9901 59.2860 72.4708 174.6653 66 R 3.7900 8.5593 121.2881 59.9198 29.7860 176.3918 67 H 4.6049 7.7513 111.6623 55.3624 29.1372 173.5813 68 G 3.7126 7.7117 106.6042 44.0717 0.0000 173.1235 69 V 4.5999 7.9829 111.9812 60.1694 33.4183 175.7840 70 I 4.6050 8.6308 123.2198 59.3476 41.9636 173.3973 71 E 5.1988 8.6247 126.8966 54.5177 31.5939 175.9433 72 S 4.5809 8.4991 119.5187 57.9657 65.0511 173.0087 73 E 4.8989 8.5930 120.2221 54.7089 32.7628 176.0271 74 G 3.9639 8.6104 112.6477 43.7408 0.0000 173.8327 75 K 4.1186 8.4108 117.4154 56.6867 32.0102 177.3785 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 7 S 8.33 4.48 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.66 0.00 2.83 2.78 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 9 F 8.82 5.41 0.00 3.06 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 10 V 8.84 4.58 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 0.55 0.00 0.00 0.87 0.00 0.00 11 V 8.53 4.78 2.26 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 1.05 0.00 0.00 1.14 0.00 0.00 12 I 8.97 4.90 1.88 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 1.10 0.57 0.92 0.00 0.00 13 K 9.10 4.95 0.00 1.90 1.78 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.80 4.63 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.45 0.00 1.71 1.74 1.00 1.15 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 7.78 4.70 0.00 2.02 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 2.18 2.33 0.00 17 D 8.41 4.40 0.00 2.68 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 8.78 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 0.00 0.00 0.00 19 V 7.82 3.95 2.18 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 0.80 0.00 0.00 0.96 0.00 0.00 20 N 8.92 5.19 0.00 2.71 2.54 0.00 0.00 6.98 7.21 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 21 V 8.94 4.51 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 0.97 0.00 0.00 0.91 0.00 0.00 22 I 9.20 4.70 1.90 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.58 0.87 0.00 0.00 23 G 9.18 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 0.00 0.00 0.00 24 L 9.05 5.34 0.00 1.87 1.66 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.47 4.55 4.29 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 1.34 0.00 0.00 26 R 7.97 4.33 0.00 1.89 1.98 0.00 3.16 0.00 0.00 3.08 7.05 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 8.68 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 28 A 8.58 4.11 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 7.87 4.91 0.00 2.67 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 30 T 8.31 4.67 4.27 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 1.25 0.00 0.00 31 R 8.63 4.89 0.00 1.75 1.68 0.00 3.05 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 32 F 8.90 5.14 0.00 2.98 3.06 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 0.00 0.00 0.00 0.00 33 H 9.04 4.80 0.00 3.09 3.43 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 8.00 4.97 0.00 3.37 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.28 4.89 0.00 3.64 3.61 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 36 E 9.01 4.51 0.00 2.21 1.82 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 2.26 2.33 0.00 37 K 8.60 4.88 0.00 1.66 1.69 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.43 7.81 38 L 8.95 4.98 0.00 1.49 1.51 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.23 5.04 0.00 2.58 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 40 K 8.72 3.95 0.00 1.83 1.77 0.00 1.99 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 G 9.44 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.34 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 2.33 2.26 0.00 43 V 8.31 4.94 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 0.81 0.00 0.00 0.95 0.00 0.00 44 L 9.01 4.81 0.00 1.74 1.44 0.92 0.97 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 45 I 8.54 5.01 1.76 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 1.25 0.68 0.74 0.00 0.00 46 A 8.99 4.77 1.15 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 0.00 0.00 47 Q 8.61 4.90 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.93 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 48 F 8.62 4.68 0.00 3.03 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 8.79 4.71 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 1.32 0.00 0.00 50 E 8.96 3.99 0.00 1.92 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 0.00 2.05 2.28 0.00 51 H 8.18 4.58 0.00 3.26 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.38 5.73 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 1.29 0.00 0.00 53 S 8.87 5.09 0.00 3.86 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 54 A 7.86 5.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 5.03 1.82 0.00 0.00 0.35 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 0.52 0.85 0.00 0.00 56 K 9.12 4.59 0.00 1.79 1.59 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 57 V 8.44 4.82 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 0.86 0.00 0.00 0.91 0.00 0.00 58 R 9.16 4.54 0.00 1.70 1.73 0.00 3.06 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 59 G 8.96 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 60 K 8.77 4.53 0.00 1.90 1.73 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.83 5.16 1.23 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 0.00 0.00 0.00 62 Y 9.00 4.74 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 63 I 8.01 5.00 1.90 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 1.20 0.46 0.86 0.00 0.00 64 Q 8.77 5.13 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 65 T 8.56 4.68 4.14 0.00 0.00 0.00 0.00 0.00 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 8.56 3.79 0.00 1.58 1.76 0.00 3.16 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 67 H 7.75 4.60 0.00 3.21 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 7.71 3.71 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 0.00 0.00 0.00 69 V 7.98 4.60 1.46 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 0.69 0.00 0.00 0.75 0.00 0.00 70 I 8.63 4.61 1.81 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 1.19 1.30 0.84 0.00 0.00 71 E 8.62 5.20 0.00 1.85 1.85 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 2.24 2.20 0.00 72 S 8.50 4.58 0.00 3.85 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 8.59 4.90 0.00 1.82 1.85 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 2.21 2.28 0.00 74 G 8.61 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 75 K 8.41 4.12 0.00 1.73 1.74 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.49 7.81