NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1983 8.2549 119.6913 54.9099 31.7637 175.0832 2 P 3.9922 0.0000 0.0000 61.5517 31.9718 175.7984 3 D 4.3401 8.6190 121.4610 57.5480 42.0132 178.4061 4 F 4.4420 7.7137 114.0278 59.4136 37.8024 177.6485 5 C 4.6948 7.6694 116.3132 58.8273 40.0229 174.5396 6 L 4.4621 7.6105 119.0920 53.7737 41.9827 176.2480 7 E 4.4208 7.3794 119.2236 54.5380 30.5267 174.7895 8 P 4.3843 0.0000 0.0000 61.5330 32.1646 174.4756 9 P 3.6443 0.0000 0.0000 62.6419 31.4458 175.4465 10 Y 4.6055 7.7231 121.6530 56.0290 39.6141 175.3116 11 T 4.1848 8.2891 125.7209 64.8123 68.8522 176.1745 12 G 3.6355 6.8316 107.7568 43.7537 0.0000 171.0817 13 P 4.3344 0.0000 0.0000 63.9354 31.5105 177.0797 14 G 3.6420 7.6677 108.5939 45.7167 0.0000 173.9648 15 K 4.3119 8.2229 117.9048 55.8275 32.8832 176.5437 16 A 4.2163 7.6672 122.5357 51.7319 20.0527 177.4693 17 R 4.7200 8.1194 117.0663 54.1484 30.7385 173.1971 18 I 4.2985 8.6544 122.3731 59.0265 40.3726 174.1651 19 I 4.3772 8.3075 130.6785 61.1337 37.6135 175.3233 20 R 4.6535 8.3162 125.5514 54.4946 34.1966 174.1353 21 Y 5.5590 9.2836 117.8291 56.6380 40.7875 175.3543 22 F 5.8049 9.5488 116.8519 55.3898 42.2309 172.8697 23 Y 4.4122 9.8588 122.4256 57.1470 40.0890 173.8515 24 N 4.9325 8.3160 126.7224 52.0468 38.8872 175.3140 25 A 3.8270 8.5756 130.6212 54.6523 19.0441 178.7402 26 K 4.0173 8.2250 114.1901 59.8995 32.6151 178.0606 27 A 4.0552 8.2791 121.0511 51.9932 18.8049 177.6517 28 G 3.9126 8.0554 103.7511 45.6776 0.0000 172.9399 29 L 4.7937 6.9037 117.9601 53.7545 44.5763 174.2035 30 A 4.7947 8.3815 120.6883 51.4954 19.8834 176.6060 31 Q 4.7316 8.6335 119.6260 54.4864 33.8212 174.2096 32 T 5.2089 8.4811 110.3902 60.7928 71.2229 173.5086 33 F 5.0377 8.9974 116.9267 55.8385 42.1079 173.0531 34 V 4.2633 8.4514 119.7997 62.1700 32.1329 174.1679 35 Y 4.7872 8.8185 130.1653 55.9381 40.8872 175.9359 36 G 3.8225 8.1459 112.6170 45.2405 0.0000 175.1680 37 G 3.6755 6.6204 108.0187 44.9910 0.0000 173.8677 38 V 4.4524 6.2963 110.7533 60.7636 35.8244 174.7127 39 R 3.8600 8.8888 119.7148 56.8054 27.3934 176.6602 40 A 4.2801 8.2177 118.6525 52.6825 19.1432 178.1483 41 K 4.3209 8.3624 119.9680 55.2642 33.7800 177.1626 42 R 3.6670 7.9829 117.3494 57.8682 30.5781 177.3876 43 N 4.7994 7.7500 118.3743 51.0834 37.3768 173.8996 44 N 5.0004 6.4702 115.7189 52.9806 41.4141 173.1648 45 F 5.0292 9.6168 127.2666 56.2486 42.7242 177.0421 46 K 4.5057 8.8911 123.7075 56.2991 32.4343 178.2555 47 S 4.4720 7.7826 110.5913 56.1814 67.4462 174.6799 48 A 3.5039 7.3252 126.1616 55.6540 18.0514 180.3985 49 E 3.8297 7.7992 116.3747 61.2982 29.7581 180.8093 50 D 4.3870 8.1234 118.7072 56.9359 41.3258 178.1657 51 A 2.0000 7.4004 120.9519 54.4646 18.2391 179.6829 52 L 3.9001 7.8756 119.8898 58.4798 41.4686 180.4873 53 R 3.8640 7.6840 119.6061 61.7057 29.3438 180.6232 54 T 4.3165 7.4858 115.3960 65.8116 68.7642 175.6048 55 C 4.6156 7.7032 114.7383 56.4390 41.9435 175.2273 56 G 3.1862 7.8385 109.1881 46.7958 0.0000 174.1685 57 G 3.6411 7.6824 113.1514 45.7816 0.0000 173.3977 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 R 8.25 4.20 0.00 1.70 1.73 0.00 3.20 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.68 0.00 2 P 0.00 3.99 0.00 0.89 1.56 0.00 3.29 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 3 D 8.62 4.34 0.00 2.76 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 4 F 7.71 4.44 0.00 3.30 3.29 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 5 C 7.67 4.69 0.00 2.96 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 6 L 7.61 4.46 0.00 1.77 1.73 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.38 4.42 0.00 2.18 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 2.39 2.42 0.00 8 P 0.00 4.38 0.00 2.07 1.98 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 9 P 0.00 3.64 0.00 0.62 0.49 0.00 3.25 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 10 Y 7.72 4.61 0.00 2.78 2.93 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 11 T 8.29 4.18 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 1.22 0.00 0.00 12 G 6.83 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 13 P 0.00 4.33 0.00 2.17 2.19 0.00 3.96 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 1.98 2.00 0.00 14 G 7.67 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 15 K 8.22 4.31 0.00 1.68 1.78 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.35 7.81 16 A 7.67 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.12 4.72 0.00 1.60 1.77 0.00 3.15 0.00 0.00 3.11 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 18 I 8.65 4.30 1.85 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 1.33 0.99 1.04 0.00 0.00 19 I 8.31 4.38 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.86 0.69 0.00 0.00 20 R 8.32 4.65 0.00 0.80 1.92 0.00 3.43 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 21 Y 9.28 5.56 0.00 3.17 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 22 F 9.55 5.80 0.00 3.28 3.01 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 23 Y 9.86 4.41 0.00 3.03 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 24 N 8.32 4.93 0.00 2.47 2.51 0.00 0.00 6.66 8.32 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 25 A 8.58 3.83 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 26 K 8.22 4.02 0.00 1.87 1.96 0.00 1.58 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.44 7.81 27 A 8.28 4.06 1.20 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 28 G 8.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.90 4.79 0.00 1.65 1.69 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.38 4.79 1.24 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 0.00 0.00 0.00 31 Q 8.63 4.73 0.00 1.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 32 T 8.48 5.21 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 0.74 0.00 0.00 33 F 9.00 5.04 0.00 3.10 3.12 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 34 V 8.45 4.26 2.10 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 0.72 0.00 0.00 0.92 0.00 0.00 35 Y 8.82 4.79 0.00 2.44 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.62 3.68 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 0.00 0.00 0.00 38 V 6.30 4.45 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 0.70 0.00 0.00 0.88 0.00 0.00 39 R 8.89 3.86 0.00 2.12 2.12 0.00 3.44 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 40 A 8.22 4.28 1.07 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 0.00 0.00 0.00 41 K 8.36 4.32 0.00 1.73 1.67 0.00 1.43 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.13 1.06 7.81 42 R 7.98 3.67 0.00 0.80 0.66 0.00 2.52 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.00 43 N 7.75 4.80 0.00 3.18 2.87 0.00 0.00 6.73 7.79 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 44 N 6.47 5.00 0.00 2.72 2.63 0.00 0.00 7.08 7.02 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 45 F 9.62 5.03 0.00 3.32 2.95 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 46 K 8.89 4.51 0.00 1.77 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 0.99 7.81 47 S 7.78 4.47 0.00 3.80 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 48 A 7.33 3.50 0.93 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 0.00 0.00 49 E 7.80 3.83 0.00 1.99 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 2.32 1.94 0.00 50 D 8.12 4.39 0.00 2.81 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 51 A 7.40 2.00 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.88 3.90 0.00 1.61 1.65 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.68 3.86 0.00 1.91 1.85 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 54 T 7.49 4.32 4.18 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 1.60 0.00 0.00 55 C 7.70 4.62 0.00 2.45 1.99 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 56 G 7.84 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.68 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