NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.4861 8.1444 121.6893 57.2880 40.1898 174.0014 2 N 4.3830 7.6492 125.5859 52.0972 39.7605 174.4064 3 R 4.0878 9.4669 126.2728 59.0856 31.2960 178.0358 4 L 4.3881 8.4516 117.1603 56.9439 41.7324 177.5699 5 C 4.7076 8.5771 116.5689 58.6109 40.4591 173.0559 6 I 4.6691 7.6473 121.0682 58.8208 38.0693 175.4561 7 K 2.4800 8.1200 127.1345 54.6288 32.5964 174.6765 8 P 3.7964 0.0000 0.0000 62.4811 31.5451 177.7562 9 R 3.7929 8.1594 121.3353 59.1059 30.1483 177.5517 10 D 4.4993 7.6716 115.3576 55.0697 41.3104 176.2450 11 W 4.6562 7.6206 120.3745 56.6035 29.0310 175.0535 12 I 4.4611 8.6526 122.8508 62.9300 38.6644 176.3038 13 D 4.6890 8.0143 118.1352 53.9207 41.6009 175.4155 14 E 4.6849 8.3268 120.7867 54.7717 32.9507 175.9314 15 C 5.1355 8.5369 117.9485 55.1344 44.3140 173.9489 16 D 4.4269 8.9131 122.9041 53.7306 41.5275 177.7868 17 S 4.4035 8.2759 114.8864 60.8138 62.9985 175.8527 18 N 4.6105 7.9519 116.2963 53.9332 37.2993 174.8464 19 E 4.5339 8.2398 117.8707 56.1208 29.8808 177.0505 20 G 3.9531 8.2444 107.0149 45.9219 0.0000 174.8541 21 G 4.4943 7.7263 107.0504 45.2139 0.0000 172.5787 22 E 5.1299 8.7395 121.4419 54.0914 33.2117 174.9736 23 R 3.6340 7.9916 124.7640 55.6289 30.6980 175.1478 24 A 4.9290 8.5894 127.0552 50.2619 23.1640 173.9519 25 Y 4.9315 8.4253 116.2066 56.2118 40.8991 175.5740 26 F 5.3175 8.9514 121.5303 55.1213 43.4097 174.8670 27 R 4.6835 9.1187 118.3958 56.6700 29.7446 176.3489 28 N 4.8032 9.0364 116.8701 52.2282 38.1931 175.6745 29 G 4.0128 8.4948 106.6206 46.0360 0.0000 173.7088 30 K 4.5679 8.6678 118.4212 56.0768 33.1707 177.4949 31 G 4.0571 9.6103 105.8030 45.5127 0.0000 174.1596 32 G 4.3703 7.7013 105.7831 45.5514 0.0000 172.2740 33 C 5.8406 9.0583 116.0289 55.4285 43.7082 173.3563 34 D 5.4707 9.1698 119.7321 52.5764 44.9495 175.5023 35 S 4.2955 8.7319 115.5261 58.1798 64.5581 173.2876 36 F 4.8514 8.7267 123.4795 56.7510 43.2465 173.1918 37 W 4.7092 8.9281 127.0044 55.2841 30.1426 175.5587 38 I 4.2243 8.6378 127.7562 60.8309 37.9346 175.6207 39 C 4.6879 8.5339 124.5824 55.9567 39.9913 172.6554 40 P 4.2059 0.0000 0.0000 66.0225 31.0031 178.2798 41 E 4.1778 8.0557 114.7865 58.1238 29.6981 177.1488 42 D 4.6194 7.6379 117.6537 55.2985 41.7271 176.7499 43 H 4.3040 7.5555 118.2871 56.5798 30.1873 175.0130 44 T 4.4048 9.2003 114.8497 61.8279 69.5792 175.7331 45 G 3.9011 8.8796 110.0840 45.0758 0.0000 173.4996 46 A 4.0565 7.5522 121.8263 52.1273 18.9181 178.1145 47 D 4.5984 7.7480 120.8531 52.6926 39.5181 176.4213 48 Y 4.0608 7.4898 119.8805 57.2803 39.1630 175.8234 49 Y 4.1690 8.1688 119.7941 58.6368 38.2402 177.0296 50 S 4.9134 8.8240 118.2776 58.1303 64.0785 174.2466 51 S 4.5076 7.4796 115.4184 55.9830 67.1357 173.9997 52 Y 3.0975 7.5445 123.5678 60.4974 38.5027 178.1801 53 R 3.9188 7.9650 119.1230 59.7829 30.2244 178.0261 54 D 4.2300 7.8902 118.3291 57.3686 40.7204 178.0125 55 C 3.4778 7.6860 118.4685 59.2999 42.9748 175.3497 56 F 3.6941 8.1109 122.6396 61.3713 38.7379 176.9136 57 N 4.3551 8.3247 114.8458 55.4375 38.3614 176.4254 58 A 4.2955 7.3033 120.1227 52.7647 19.8638 177.4130 59 C 4.8186 7.9623 112.4312 56.6981 41.7613 174.0970 60 I 3.9728 6.9664 124.9148 61.2112 37.0465 175.2069 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 Y 8.14 4.49 0.00 2.93 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 2 N 7.65 4.38 0.00 2.75 2.59 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 9.47 4.09 0.00 1.91 1.99 0.00 3.18 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 4 L 8.45 4.39 0.00 1.50 1.66 0.60 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.58 4.71 0.00 3.15 3.27 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 6 I 7.65 4.67 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.83 0.00 0.00 7 K 8.12 2.48 0.00 0.81 1.19 0.00 0.74 0.00 0.00 1.32 0.00 0.00 2.72 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.61 0.21 7.81 8 P 0.00 3.80 0.00 0.49 1.05 0.00 2.20 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.28 0.00 9 R 8.16 3.79 0.00 1.67 1.91 0.00 3.11 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 10 D 7.67 4.50 0.00 2.71 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 11 W 7.62 4.66 0.00 2.97 2.91 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 12 I 8.65 4.46 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.98 0.00 0.00 13 D 8.01 4.69 0.00 2.68 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 14 E 8.33 4.68 0.00 1.62 1.64 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 1.47 1.82 0.00 15 C 8.54 5.14 0.00 2.82 2.88 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 0.00 0.00 0.00 16 D 8.91 4.43 0.00 2.59 2.28 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 17 S 8.28 4.40 0.00 4.07 4.11 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 18 N 7.95 4.61 0.00 2.78 2.91 0.00 0.00 5.80 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 19 E 8.24 4.53 0.00 2.01 1.97 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 2.35 2.16 0.00 20 G 8.24 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 21 G 7.73 4.49 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 0.00 22 E 8.74 5.13 0.00 1.99 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 2.36 2.51 0.00 23 R 7.99 3.63 0.00 0.67 1.09 0.00 2.85 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 24 A 8.59 4.93 0.90 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 25 Y 8.43 4.93 0.00 2.74 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 26 F 8.95 5.32 0.00 3.07 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 27 R 9.12 4.68 0.00 1.86 2.04 0.00 3.09 0.00 0.00 3.47 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 28 N 9.04 4.80 0.00 2.90 3.13 0.00 0.00 6.98 6.60 0.00 0.00 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 G 8.49 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 30 K 8.67 4.57 0.00 1.86 1.81 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.39 7.81 31 G 9.61 4.06 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 0.00 0.00 0.00 32 G 7.70 4.37 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 0.00 0.00 0.00 33 C 9.06 5.84 0.00 2.47 3.10 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 34 D 9.17 5.47 0.00 2.72 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 35 S 8.73 4.30 0.00 3.31 3.21 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 0.00 0.00 0.00 0.00 36 F 8.73 4.85 0.00 3.34 3.14 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 0.00 37 W 8.93 4.71 0.00 3.18 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 38 I 8.64 4.22 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.20 0.00 0.00 39 C 8.53 4.69 0.00 2.84 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 40 P 0.00 4.21 0.00 2.17 2.13 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 41 E 8.06 4.18 0.00 1.94 2.01 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 2.32 2.32 0.00 42 D 7.64 4.62 0.00 2.24 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.56 4.30 0.00 3.27 3.25 0.00 5.76 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 44 T 9.20 4.40 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 45 G 8.88 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 46 A 7.55 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.75 4.60 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.49 4.06 0.00 2.96 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 49 Y 8.17 4.17 0.00 3.18 2.84 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 0.00 0.00 0.00 50 S 8.82 4.91 0.00 4.01 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 51 S 7.48 4.51 0.00 3.91 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 52 Y 7.54 3.10 0.00 2.62 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 53 R 7.97 3.92 0.00 1.92 1.89 0.00 3.24 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 54 D 7.89 4.23 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.69 3.48 0.00 2.90 2.94 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 56 F 8.11 3.69 0.00 2.69 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 57 N 8.32 4.36 0.00 2.68 2.81 0.00 0.00 6.96 8.19 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 58 A 7.30 4.30 0.95 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 59 C 7.96 4.82 0.00 2.87 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.97 3.97 1.19 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.60 0.74 0.00 0.00