NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4263 8.3044 120.3510 54.8851 34.3586 175.4228 2 L 4.4009 7.5923 118.6895 55.5660 43.3641 176.4956 3 T 3.9971 7.7960 115.4455 66.5031 69.5141 175.9927 4 R 3.8975 8.0046 116.8741 58.6203 29.5607 177.2063 5 F 3.3005 7.9684 115.2430 56.9185 39.1646 174.8961 6 L 4.5625 7.2281 123.7958 53.5514 43.0228 175.6378 7 G 4.1586 8.5145 114.7307 43.4469 0.0000 171.1919 8 P 4.2643 0.0000 0.0000 66.1560 30.6849 178.5360 9 R 3.7385 7.8368 117.5522 59.4973 30.0053 178.0513 10 Y 4.4108 7.6169 115.9239 60.7005 37.8741 178.3834 11 R 3.9655 8.0876 119.6051 59.6273 30.2472 178.4722 12 Q 4.0450 8.1384 117.9154 58.8513 28.4924 178.3975 13 L 4.0933 8.4840 120.6559 57.8525 42.2545 178.7551 14 A 4.3004 8.4544 121.0825 55.3603 18.1281 179.7748 15 R 3.9423 7.9275 116.1465 59.6067 29.8885 179.1001 16 N 4.3629 8.3498 115.4689 55.3995 38.8610 176.4920 17 W 4.5938 7.9197 118.2211 56.8132 29.5560 178.4193 18 V 3.7761 7.6074 118.7521 65.3880 31.0927 175.7629 19 P 4.2341 0.0000 0.0000 66.1112 31.0825 178.6129 20 T 3.8142 7.9228 113.3963 66.7871 68.1170 176.5953 21 A 4.4282 8.5476 122.7182 55.0501 18.3302 180.0361 22 G 3.6021 8.5407 104.8207 48.1069 0.0000 176.1564 23 L 4.0312 7.9768 121.6202 56.9980 41.4719 179.6122 24 W 4.5231 8.4659 119.3515 59.3734 28.8428 178.8631 25 G 3.6410 8.0005 104.8965 47.6557 0.0000 175.6877 26 A 4.0373 8.1248 123.2984 54.7827 18.3132 179.8608 27 V 3.6569 7.9844 116.8986 66.2583 31.7037 178.5780 28 G 3.6840 8.4902 105.3515 47.7005 0.0000 175.4392 29 A 3.9622 8.4479 123.5031 54.9243 18.5029 179.6128 30 V 3.6959 8.0589 116.4435 66.2167 31.4595 178.4091 31 G 3.8630 8.5489 105.6337 47.9459 0.0000 175.4118 32 L 3.8806 8.4993 123.3387 57.5791 42.2121 178.9286 33 V 3.5406 8.3722 118.5897 65.9196 31.4498 177.7964 34 W 4.2441 8.9788 127.9956 60.5467 30.3464 177.8301 35 A 3.2149 7.6896 119.6942 54.4959 17.9097 178.8905 36 T 4.0199 7.5252 105.6736 61.0813 70.3611 173.9681 37 D 4.4058 7.4722 119.6305 55.8300 38.5575 176.9559 38 W 4.9220 8.0531 120.3004 55.7836 25.6493 176.7347 39 R 4.2269 8.2312 119.3075 59.1776 28.7033 178.5036 40 L 3.7923 7.6930 119.8975 58.2708 41.8161 178.5392 41 I 4.0528 7.6342 118.9822 64.3687 37.4566 178.2325 42 L 4.2962 8.6882 119.7576 57.3810 41.1983 179.0340 43 D 4.4605 8.1741 118.6890 57.1892 40.8758 177.1154 44 W 4.7401 8.0168 125.2390 57.3569 30.2576 175.3087 45 V 4.2343 7.6672 118.2565 60.6983 31.5380 174.9201 46 P 4.3819 0.0000 0.0000 64.4829 31.4552 176.2521 47 Y 4.2815 7.6488 116.8806 58.4719 40.7438 175.4928 48 I 4.1609 7.8018 120.2629 61.1220 36.4438 175.4778 49 N 5.1524 8.1664 126.2202 51.9215 39.1585 176.3851 50 G 4.0969 8.0769 106.3955 48.0106 0.0000 173.3245 51 K 4.3058 8.1055 118.4642 56.5230 31.7043 176.6331 52 F 4.4112 7.6205 115.9156 56.9205 36.2263 175.2307 53 K 4.0856 8.3455 128.2495 57.1928 32.0035 176.5822 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 M 8.30 4.43 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 2 L 7.59 4.40 0.00 1.79 1.60 0.79 0.51 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 3 T 7.80 4.00 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 4 R 8.00 3.90 0.00 1.83 2.06 0.00 2.99 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.46 0.00 5 F 7.97 3.30 0.00 3.00 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 6 L 7.23 4.56 0.00 1.60 1.60 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.51 4.16 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 0.00 0.00 0.00 8 P 0.00 4.26 0.00 2.27 2.36 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 9 R 7.84 3.74 0.00 1.62 1.33 0.00 3.04 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 10 Y 7.62 4.41 0.00 3.30 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 11 R 8.09 3.97 0.00 1.95 2.10 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 12 Q 8.14 4.04 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 13 L 8.48 4.09 0.00 1.80 1.89 1.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.45 4.30 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.94 0.00 2.07 2.02 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 16 N 8.35 4.36 0.00 2.92 2.68 0.00 0.00 7.01 7.28 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 17 W 7.92 4.59 0.00 3.60 3.31 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 0.00 18 V 7.61 3.78 2.32 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 1.17 0.00 0.00 1.03 0.00 0.00 19 P 0.00 4.23 0.00 2.15 2.08 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 20 T 7.92 3.81 4.77 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 0.00 0.00 0.00 1.49 0.00 0.00 21 A 8.55 4.43 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.98 4.03 0.00 1.63 1.43 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.47 4.52 0.00 3.44 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 25 G 8.00 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 26 A 8.12 4.04 1.37 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 27 V 7.98 3.66 2.46 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 1.29 0.00 0.00 0.82 0.00 0.00 28 G 8.49 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 29 A 8.45 3.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.70 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 1.02 0.00 0.00 0.99 0.00 0.00 31 G 8.55 3.86 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 0.00 0.00 0.00 32 L 8.50 3.88 0.00 1.73 1.83 0.63 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.37 3.54 2.41 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 1.12 0.00 0.00 1.12 0.00 0.00 34 W 8.98 4.24 0.00 3.40 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 35 A 7.69 3.21 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 4.02 4.16 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 1.03 0.00 0.00 37 D 7.47 4.41 0.00 3.00 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 38 W 8.05 4.92 0.00 3.41 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 39 R 8.23 4.23 0.00 2.21 2.29 0.00 3.17 0.00 0.00 3.54 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 40 L 7.69 3.79 0.00 1.19 1.20 0.60 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.63 4.05 2.16 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.96 1.09 0.00 0.00 42 L 8.69 4.30 0.00 1.78 1.85 1.08 1.20 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 43 D 8.17 4.46 0.00 2.89 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 44 W 8.02 4.74 0.00 3.24 3.08 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 0.00 0.00 0.00 0.00 45 V 7.67 4.23 2.32 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 1.01 0.00 0.00 1.05 0.00 0.00 46 P 0.00 4.38 0.00 2.09 2.04 0.00 3.68 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 1.94 0.00 47 Y 7.65 4.28 0.00 2.87 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 48 I 7.80 4.16 2.00 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 1.57 0.69 1.05 0.00 0.00 49 N 8.17 5.15 0.00 2.70 2.73 0.00 0.00 6.92 8.02 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 50 G 8.08 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 51 K 8.11 4.31 0.00 1.83 1.88 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 52 F 7.62 4.41 0.00 3.13 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 53 K 8.35 4.09 0.00 1.75 1.76 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81