NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Y 5.0829 7.9876 118.9488 57.4445 39.4317 175.0088 8 T 3.8251 7.8598 106.4083 62.9003 69.4075 173.3987 9 S 4.7151 9.2737 116.7201 59.1824 64.5472 175.0571 10 F 4.7478 8.3314 118.3622 56.2945 40.5536 175.5686 11 N 4.6750 8.8224 120.6757 55.4938 39.4242 174.9227 12 T 4.8725 7.7465 105.8618 59.5739 71.5344 173.8745 13 V 3.7301 8.7365 120.0303 66.3725 30.9055 177.1529 14 D 4.4359 8.2987 117.4118 57.4228 40.9167 177.8410 15 E 4.1772 8.5689 118.5004 58.6601 29.7899 178.9017 16 W 4.9192 8.5202 128.2679 60.8067 30.9900 178.1074 17 L 3.1574 8.3036 119.0599 57.3218 40.9357 179.1067 18 D 4.2487 7.9430 118.1637 57.0938 40.9084 178.0482 19 A 4.1938 8.0165 120.8608 53.9587 18.3662 178.5292 20 I 4.1984 6.8429 110.0044 59.3243 39.3435 175.9006 21 K 3.7752 7.4522 119.6823 57.9457 29.5956 175.1535 22 M 4.8537 7.2160 124.2977 54.2176 33.3971 177.8825 23 S 4.1624 8.5192 116.7632 61.6694 63.4512 176.2404 24 Q 4.4359 7.8673 116.0620 56.9096 28.9494 175.3719 25 Y 4.6235 7.6653 112.3326 58.1575 39.3077 177.6966 26 K 4.0721 7.4866 121.0185 58.2342 31.3607 177.9310 27 E 4.0590 8.3717 123.7191 59.5746 30.1982 179.2759 28 S 4.2289 8.0861 115.0132 61.7444 62.9957 176.1990 29 F 4.3784 8.7227 119.8038 59.8696 37.9940 177.7168 30 A 4.1339 7.8092 120.1649 54.7257 17.8436 179.7216 31 S 3.9200 7.4731 109.7529 61.6357 62.6483 175.9891 32 A 3.8321 7.4418 121.6479 54.1695 17.9894 177.8429 33 G 4.0009 6.3486 102.2145 45.9223 0.0000 174.1932 34 F 5.1419 7.7677 118.0576 57.6735 38.9741 176.5358 35 T 4.6812 7.9283 107.1265 61.3593 69.0981 173.6862 36 T 4.6168 7.4616 110.9040 61.7858 71.3492 174.2186 37 F 4.1273 8.4615 120.9156 54.7374 36.8599 174.1156 38 D 4.2552 7.1126 130.4643 54.5425 46.6100 178.6023 39 I 3.7483 7.5963 120.0697 64.8886 37.6297 179.0414 40 V 3.2384 7.9804 117.4895 63.7654 31.3084 175.9640 41 S 4.5524 7.8009 116.1890 57.8080 63.3911 174.9334 42 Q 4.6073 7.2829 114.2016 55.1172 30.6138 173.7676 43 M 4.6905 7.5253 115.5165 55.2935 33.9768 172.8356 44 T 4.2308 7.8780 113.4363 61.0324 69.5023 176.0290 45 V 3.7705 8.4902 116.5875 64.7832 31.3867 178.1375 46 E 3.9733 8.0996 118.2901 59.1960 29.5932 178.1343 47 D 4.5449 7.8524 117.0433 57.0783 41.4443 178.2667 48 I 3.7617 7.7272 120.0376 64.3456 36.9396 177.8762 49 L 4.1256 7.5999 119.9682 57.3877 41.7617 178.6911 50 R 4.0840 7.9462 119.1131 59.3530 29.9952 178.3377 51 V 3.7875 7.8471 116.1721 64.3701 31.3484 176.1576 52 G 4.2647 7.4281 106.2285 45.9140 0.0000 174.0864 53 V 4.4587 8.0002 118.5521 62.4459 31.4373 178.0514 54 T 3.9012 7.9625 110.5695 63.9559 69.2627 174.2874 55 L 3.8560 7.6366 124.2506 55.0723 42.2793 176.5052 56 A 4.2959 8.5191 128.7822 53.3087 19.0190 175.8639 57 G 4.1964 8.6870 111.2512 47.2845 0.0000 175.9393 58 H 4.1475 8.1153 117.2949 58.2844 28.4877 177.7739 59 Q 4.0033 7.7951 118.1020 59.2215 28.3102 178.2802 60 K 4.0946 7.9050 120.6291 58.1222 32.4343 178.5983 61 K 3.9075 8.1399 120.7339 59.7858 32.1488 178.9081 62 I 3.7858 7.3886 119.7396 63.4081 36.6571 177.9411 63 L 3.8823 7.0891 120.0956 58.5323 42.1973 178.4136 64 N 4.4699 8.0769 115.5182 55.9640 38.9710 176.6832 65 S 4.1949 7.6090 113.7582 61.4762 62.6997 175.8644 66 I 3.7983 8.2095 122.7440 64.4707 36.6927 178.0069 67 Q 4.1209 7.8333 117.8920 58.1308 28.3783 178.4497 68 V 3.2468 7.8570 113.1986 63.8375 31.6017 177.9566 69 M 4.7699 7.0074 118.5691 57.4227 32.0738 178.8426 70 R 3.9927 7.8095 115.5811 58.4724 30.2278 178.5146 71 A 4.1351 7.8939 121.0110 55.1694 18.5423 179.1152 72 Q 4.2598 8.0045 112.9988 58.0439 29.4178 175.5467 73 M 4.2322 7.8696 124.9227 55.5878 32.0155 175.8859 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 7 Y 7.99 5.08 0.00 2.98 3.28 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 8 T 7.86 3.83 4.05 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 0.85 0.00 0.00 9 S 9.27 4.72 0.00 3.82 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 4.75 0.00 2.94 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.67 0.00 2.78 2.95 0.00 0.00 6.80 7.55 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 12 T 7.75 4.87 4.43 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 1.36 0.00 0.00 13 V 8.74 3.73 2.24 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 1.24 0.00 0.00 1.01 0.00 0.00 14 D 8.30 4.44 0.00 2.92 2.75 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 15 E 8.57 4.18 0.00 2.48 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 0.00 2.45 2.58 0.00 16 W 8.52 4.92 0.00 3.58 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 3.16 0.00 1.45 1.16 0.38 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.94 4.25 0.00 2.84 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 19 A 8.02 4.19 1.58 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 0.00 0.00 20 I 6.84 4.20 1.60 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.38 0.75 0.00 0.00 21 K 7.45 3.78 0.00 1.91 1.92 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.38 7.81 22 M 7.22 4.85 0.00 1.72 1.70 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.67 0.00 23 S 8.52 4.16 0.00 3.89 3.94 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 24 Q 7.87 4.44 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.36 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 25 Y 7.67 4.62 0.00 2.89 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 4.07 0.00 1.84 1.68 0.00 1.52 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.55 7.81 27 E 8.37 4.06 0.00 2.08 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 2.39 2.49 0.00 28 S 8.09 4.23 0.00 3.92 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.72 4.38 0.00 3.46 3.54 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 0.00 30 A 7.81 4.13 1.39 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 0.00 0.00 0.00 31 S 7.47 3.92 0.00 3.91 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 32 A 7.44 3.83 0.17 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 0.00 0.00 33 G 6.35 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 34 F 7.77 5.14 0.00 2.95 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 35 T 7.93 4.68 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 36 T 7.46 4.62 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 37 F 8.46 4.13 0.00 3.06 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 38 D 7.11 4.26 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 3.75 2.15 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 1.51 1.20 1.06 0.00 0.00 40 V 7.98 3.24 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 0.53 0.00 0.00 0.94 0.00 0.00 41 S 7.80 4.55 0.00 3.83 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 42 Q 7.28 4.61 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 43 M 7.53 4.69 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.95 0.00 44 T 7.88 4.23 4.21 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 1.21 0.00 0.00 45 V 8.49 3.77 2.07 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 1.02 0.00 0.00 0.94 0.00 0.00 46 E 8.10 3.97 0.00 1.96 2.07 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 2.32 2.31 0.00 47 D 7.85 4.54 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.76 2.06 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 1.50 1.16 1.04 0.00 0.00 49 L 7.60 4.13 0.00 1.62 1.73 0.94 0.98 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 50 R 7.95 4.08 0.00 2.00 1.94 0.00 3.16 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 51 V 7.85 3.79 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.97 0.00 0.00 52 G 7.43 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 0.00 0.00 0.00 0.00 53 V 8.00 4.46 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.39 0.00 0.00 54 T 7.96 3.90 4.27 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 1.24 0.00 0.00 55 L 7.64 3.86 0.00 2.00 1.80 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.52 4.30 1.26 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 0.00 0.00 57 G 8.69 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 58 H 8.12 4.15 0.00 3.24 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.80 4.00 0.00 2.24 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.10 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 60 K 7.90 4.09 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.48 7.81 61 K 8.14 3.91 0.00 1.92 1.72 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.55 7.81 62 I 7.39 3.79 1.82 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.34 0.96 0.00 0.00 63 L 7.09 3.88 0.00 1.71 1.68 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.08 4.47 0.00 2.79 2.78 0.00 0.00 6.74 7.18 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 65 S 7.61 4.19 0.00 4.17 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 66 I 8.21 3.80 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.85 0.89 0.00 0.00 67 Q 7.83 4.12 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 68 V 7.86 3.25 1.18 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 0.60 0.00 0.00 0.29 0.00 0.00 69 M 7.01 4.77 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 70 R 7.81 3.99 0.00 1.71 1.96 0.00 3.28 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 71 A 7.89 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.00 4.26 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 73 M 7.87 4.23 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00