NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9506 8.3549 109.7373 44.8813 0.0000 173.2401 2 I 3.7398 8.0928 120.0169 61.1048 37.3160 175.6833 3 G 4.2814 8.3461 110.1028 43.7976 0.0000 171.9878 4 D 4.7888 7.6461 118.6029 50.2119 43.6853 174.3832 5 P 4.2789 0.0000 0.0000 65.6164 31.3564 179.3322 6 V 3.6057 7.7943 116.8042 66.1818 31.6644 178.0098 7 T 3.8368 8.3069 115.5140 66.7091 68.1727 175.3765 8 C 4.1452 7.9498 119.8361 60.0687 44.8186 175.8446 9 L 4.1112 7.9984 120.1483 57.7942 41.0045 179.6742 10 K 3.9970 8.2557 118.1154 59.2403 32.0589 178.8099 11 S 4.3969 7.8181 112.1113 59.1722 63.3587 175.1553 12 G 3.8338 8.1575 110.9612 45.0239 0.0000 173.1851 13 A 4.5622 7.3162 121.6273 51.1858 20.5417 176.8317 14 I 4.5368 8.6586 119.3260 59.8783 40.1972 174.7324 15 C 5.1601 8.8333 124.2547 56.4571 42.2644 172.6565 16 H 5.0960 9.0704 121.7279 53.2379 30.9652 174.3290 17 P 4.2726 0.0000 0.0000 65.2133 31.8304 178.1435 18 V 4.2695 7.5224 113.6456 62.5980 34.9992 175.0537 19 F 4.9866 7.7285 115.4554 55.5255 42.7667 175.1090 20 C 4.3670 8.7748 121.7618 55.9828 37.8365 172.0339 21 P 4.3220 0.0000 0.0000 62.5788 31.6450 177.2763 22 R 3.8225 8.6716 121.9010 59.7971 29.7672 177.6478 23 R 4.3837 7.9691 112.3486 56.8745 30.7457 176.1031 24 Y 4.4091 7.9641 116.3422 57.3598 39.2327 174.8239 25 K 4.4293 8.6693 124.1520 55.2125 34.0299 175.3188 26 Q 4.7328 8.8053 129.5358 55.9102 29.6618 175.1567 27 I 4.3755 10.2476 119.4238 59.6688 39.0796 176.4163 28 G 4.0117 6.9899 109.7308 46.3831 0.0000 171.1921 29 T 5.1713 8.0299 111.4046 59.4337 71.6304 173.3874 30 C 4.6685 8.1921 116.7698 56.8331 40.6009 175.6410 31 G 4.2036 8.3627 113.4720 45.8840 0.0000 174.8164 32 L 4.0754 7.4504 120.4085 53.1216 42.3377 175.1198 33 P 4.3009 0.0000 0.0000 64.6407 31.6444 176.9450 34 G 3.9217 8.9722 111.0407 45.4499 0.0000 173.3840 35 T 4.5392 7.3669 109.7161 60.8195 70.6924 173.8849 36 K 4.7327 8.8769 121.3649 54.8545 36.3154 174.4807 37 C 5.0890 9.0333 125.4953 55.5710 45.5414 171.5228 38 C 5.6611 9.2407 124.0515 55.0748 44.4927 173.0995 39 K 4.9561 9.1670 125.1918 54.0956 35.0466 176.2859 40 K 3.3693 8.3269 123.6088 56.5428 31.9674 177.0137 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 G 8.35 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.09 3.74 1.88 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 1.24 0.72 1.01 0.00 0.00 3 G 8.35 4.28 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 0.00 4 D 7.65 4.79 0.00 2.82 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 5 P 0.00 4.28 0.00 2.18 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.35 0.00 6 V 7.79 3.61 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 1.16 0.00 0.00 0.93 0.00 0.00 7 T 8.31 3.84 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 1.22 0.00 0.00 8 C 7.95 4.15 0.00 3.00 3.30 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 0.00 9 L 8.00 4.11 0.00 1.75 1.71 0.92 0.82 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 10 K 8.26 4.00 0.00 1.92 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 11 S 7.82 4.40 0.00 4.07 3.99 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 12 G 8.16 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 13 A 7.32 4.56 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 14 I 8.66 4.54 2.00 0.00 0.00 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 1.30 0.83 0.89 0.00 0.00 15 C 8.83 5.16 0.00 2.84 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 16 H 9.07 5.10 0.00 3.04 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.27 0.00 2.19 2.28 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 18 V 7.52 4.27 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 0.24 0.00 0.00 0.83 0.00 0.00 19 F 7.73 4.99 0.00 2.95 2.79 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 20 C 8.77 4.37 0.00 3.01 3.05 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 21 P 0.00 4.32 0.00 1.67 1.71 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.71 0.00 22 R 8.67 3.82 0.00 1.74 2.01 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 23 R 7.97 4.38 0.00 2.01 2.02 0.00 3.28 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 24 Y 7.96 4.41 0.00 2.92 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 25 K 8.67 4.43 0.00 1.84 1.65 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.38 7.81 26 Q 8.81 4.73 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 27 I 10.25 4.38 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.92 0.00 0.00 28 G 6.99 4.01 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 0.00 0.00 0.00 29 T 8.03 5.17 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 1.24 0.00 0.00 30 C 8.19 4.67 0.00 2.99 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 31 G 8.36 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.45 4.08 0.00 1.70 1.59 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.30 0.00 2.01 2.00 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 34 G 8.97 3.92 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 0.00 0.00 0.00 35 T 7.37 4.54 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 1.23 0.00 0.00 36 K 8.88 4.73 0.00 1.67 1.72 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 37 C 9.03 5.09 0.00 3.18 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 38 C 9.24 5.66 0.00 3.03 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 39 K 9.17 4.96 0.00 1.78 1.62 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.36 7.81 40 K 8.33 3.37 0.00 1.60 1.43 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 0.84 7.81