NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2763 8.2649 123.5796 50.8521 18.7729 175.9780 7 P 4.1448 0.0000 0.0000 62.3768 31.5846 175.0476 8 D 4.7261 8.9965 123.0568 51.6732 42.3256 176.8008 9 F 3.7949 8.8364 120.9271 62.2366 38.9938 177.0867 10 H 4.5172 8.2184 114.9869 58.8075 28.3990 177.2490 11 D 4.3307 8.4693 120.7826 57.0391 40.7142 178.6646 12 K 3.8942 7.1165 117.4930 59.7748 33.1739 178.2097 13 Y 4.6387 7.2972 117.4374 59.0162 38.1615 178.3627 14 G 4.0995 8.1253 107.5957 48.0674 0.0000 175.6725 15 N 4.3827 8.2203 119.1795 55.4303 38.5599 177.1910 16 A 3.9853 7.9998 121.7378 55.2137 18.6060 179.3869 17 V 3.5392 8.0717 116.5665 66.1509 31.5915 177.5541 18 L 3.9111 8.1127 119.6898 58.5877 41.7581 178.7729 19 A 4.0168 8.2227 120.5143 55.1459 18.3286 179.5370 20 S 4.2039 8.6099 112.6257 61.5272 62.9536 177.0329 21 G 3.6430 8.7451 109.3277 47.6478 0.0000 175.5240 22 A 4.1109 8.4653 124.2622 54.9091 18.2794 180.0148 23 T 3.9114 8.2154 114.5532 66.7268 68.6460 176.6135 24 F 4.3093 8.5138 122.8668 61.9941 39.3722 176.1703 25 C 3.7772 8.2532 118.0390 62.8979 31.1791 175.9618 26 V 3.6996 7.8060 119.5743 64.7496 30.9353 178.1075 27 A 3.9762 8.0556 121.5921 55.1555 18.3523 179.6779 28 V 3.4973 7.9008 116.4148 65.8532 31.5620 178.4788 29 W 4.0010 8.3904 118.7667 59.6497 28.7587 178.6435 30 V 3.7647 7.8509 118.0943 66.2134 30.8107 177.2742 31 Y 4.0609 8.0486 118.8680 60.8279 38.5050 177.3074 32 M 3.9374 8.2621 118.2893 58.9675 32.4380 178.0785 33 A 4.6701 8.6876 119.5857 54.4258 18.6692 178.0159 34 T 4.4247 7.5677 105.5798 63.4795 70.8065 175.8750 35 Q 4.0659 8.4655 118.6146 56.0893 28.4739 175.1289 36 I 4.6129 6.8753 110.4825 59.0532 40.3444 174.8359 37 G 4.0010 8.2560 106.9777 45.9637 0.0000 174.1909 38 I 3.4577 7.6412 120.9754 60.8062 37.5183 176.2405 39 E 4.3407 8.1174 125.4495 54.6608 28.6628 175.8688 40 W 4.1667 8.5576 124.7237 57.4333 30.1415 176.3575 41 N 4.1259 8.0940 115.8870 53.8300 36.8925 171.2049 42 P 4.5168 0.0000 0.0000 62.1311 32.1580 176.6912 43 S 4.1836 8.5029 113.8999 57.8102 62.7654 173.4380 44 P 4.3597 0.0000 0.0000 65.0512 31.4751 176.4018 45 V 3.7099 6.8712 115.9355 63.7992 31.0880 175.6103 46 G 4.0999 9.2209 114.0852 44.6957 0.0000 173.6302 47 R 4.3849 7.6430 113.8069 56.2042 31.2598 176.3210 48 V 4.2237 7.9206 117.8294 61.1404 33.0135 174.9356 49 T 4.4228 8.2352 123.5762 60.8978 68.9563 172.9126 50 P 4.3295 0.0000 0.0000 62.8749 31.6924 175.8628 51 K 4.5906 8.3598 122.1048 54.0691 34.0588 175.8873 52 E 4.0847 8.7191 123.5160 56.3262 29.9904 176.5379 53 W 4.5989 8.3831 120.9615 55.8136 29.1474 175.7023 54 R 3.8488 7.0450 123.5966 56.6113 31.0577 175.2731 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 6 A 8.26 4.28 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.04 1.96 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 8 D 9.00 4.73 0.00 2.88 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 8.84 3.79 0.00 3.17 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 10 H 8.22 4.52 0.00 3.41 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.47 4.33 0.00 2.64 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 K 7.12 3.89 0.00 1.15 1.53 0.00 1.00 0.00 0.00 0.84 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.05 0.21 7.81 13 Y 7.30 4.64 0.00 2.51 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 14 G 8.13 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.22 4.38 0.00 2.84 2.89 0.00 0.00 6.88 7.08 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 16 A 8.00 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.54 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.13 0.00 0.00 18 L 8.11 3.91 0.00 1.95 1.86 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.22 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.61 4.20 0.00 4.06 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 21 G 8.75 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 0.00 0.00 0.00 22 A 8.47 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 3.91 4.54 0.00 0.00 0.00 0.00 0.00 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 24 F 8.51 4.31 0.00 3.04 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.25 3.78 0.00 3.10 3.15 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 26 V 7.81 3.70 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 0.87 0.00 0.00 0.95 0.00 0.00 27 A 8.06 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.90 3.50 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 0.82 0.00 0.00 0.57 0.00 0.00 29 W 8.39 4.00 0.00 3.37 3.25 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 0.00 30 V 7.85 3.76 2.40 0.00 0.00 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 0.98 0.00 0.00 31 Y 8.05 4.06 0.00 3.11 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 32 M 8.26 3.94 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 33 A 8.69 4.67 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.57 4.42 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 1.25 0.00 0.00 35 Q 8.47 4.07 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 36 I 6.88 4.61 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 1.24 0.58 0.85 0.00 0.00 37 G 8.26 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 0.00 0.00 0.00 38 I 7.64 3.46 1.60 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.42 -0.46 0.00 0.00 39 E 8.12 4.34 0.00 1.83 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 2.20 2.22 0.00 40 W 8.56 4.17 0.00 3.30 3.26 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 0.00 41 N 8.09 4.13 0.00 2.80 2.82 0.00 0.00 7.21 8.75 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 42 P 0.00 4.52 0.00 2.24 2.09 0.00 3.92 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.50 4.18 0.00 3.88 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 44 P 0.00 4.36 0.00 2.26 2.30 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 6.87 3.71 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 0.68 0.00 0.00 0.93 0.00 0.00 46 G 9.22 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.64 4.38 0.00 1.91 2.04 0.00 3.03 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 48 V 7.92 4.22 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 0.82 0.00 0.00 0.94 0.00 0.00 49 T 8.24 4.42 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 1.22 0.00 0.00 50 P 0.00 4.33 0.00 2.23 2.11 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 51 K 8.36 4.59 0.00 1.81 1.81 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 52 E 8.72 4.08 0.00 1.88 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 2.16 2.24 0.00 53 W 8.38 4.60 0.00 3.63 3.17 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 54 R 7.05 3.85 0.00 1.87 2.02 0.00 3.26 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00