NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.2845 8.3493 120.2952 53.2790 41.0266 174.7686 2 F 5.1402 7.7070 113.4142 56.0819 38.0640 173.6239 3 C 4.8261 8.2889 120.2877 58.8397 46.6281 175.2989 4 L 4.6092 7.2875 115.2468 55.3673 40.4166 175.8536 5 E 4.4666 7.9272 118.8733 55.0792 30.6004 174.5276 6 P 4.5024 0.0000 0.0000 61.0284 32.3105 174.5875 7 P 3.9421 0.0000 0.0000 63.1649 31.7036 175.8952 8 Y 4.9116 8.0589 120.3172 57.1279 38.8691 176.7946 9 T 3.9081 8.1939 118.5284 66.1049 69.5816 175.1862 10 G 3.9276 7.6295 109.2094 45.9895 0.0000 171.9108 11 P 4.6015 0.0000 0.0000 62.5767 31.5700 176.2263 12 C 4.5724 7.4211 118.0224 55.3941 45.9202 173.2685 13 K 4.1939 8.0662 122.9428 55.8383 34.5280 174.2071 14 A 4.5232 7.9560 135.0000 52.6788 17.8737 178.6772 15 R 4.6025 8.3868 107.1779 57.5688 29.2407 178.6242 16 I 4.4969 7.5037 120.2970 60.3799 39.3399 175.5293 17 I 4.2581 8.0918 126.6914 61.2761 38.2341 175.5641 18 R 4.7684 10.5775 124.8887 55.4053 33.7421 172.9807 19 Y 5.7436 9.5812 113.9362 56.7539 42.5181 174.7277 20 F 5.5448 9.3187 116.5498 55.5543 41.9024 172.7313 21 Y 4.2928 8.8390 123.1513 57.1766 39.5410 174.8515 22 N 4.6766 8.1667 125.3605 51.3426 37.7568 175.5840 23 A 4.3195 8.7322 126.8688 54.3286 18.7107 178.4351 24 K 4.2732 7.9472 113.2269 57.5547 33.2803 177.9094 25 A 4.0474 7.9892 121.7211 55.0954 18.7039 178.3631 26 G 4.0146 8.2151 100.6120 45.0737 0.0000 172.4982 27 L 4.3331 6.9795 118.6696 54.2925 44.8607 175.8853 28 C 5.3250 8.3612 116.2911 55.1001 41.5930 173.7645 29 Q 4.3204 7.9582 126.3284 55.5144 30.2799 174.9456 30 T 4.5257 8.1829 115.8056 61.4766 69.3889 173.6998 31 F 5.1067 9.3779 121.2314 54.7951 41.8499 174.4784 32 V 4.0721 8.4179 119.9688 62.9707 31.8157 174.1402 33 Y 4.7808 9.2938 125.4516 55.6005 40.5853 174.7443 34 G 4.0941 7.6555 112.8317 43.6621 0.0000 173.8988 35 G 3.6615 8.2955 108.8055 46.1677 0.0000 175.7297 36 C 4.3734 8.0067 116.5282 58.7592 40.2529 174.1003 37 R 3.9522 7.2626 116.6927 54.1751 30.8708 174.6053 38 A 3.3279 7.4826 121.8931 52.8671 17.9861 176.1854 39 K 4.8596 7.9829 118.2599 55.0765 36.2074 176.5614 40 R 4.0472 8.7732 117.4693 59.9998 30.2500 178.2307 41 N 4.9325 7.9844 116.5733 52.7770 36.4946 172.3784 42 N 5.3728 7.5461 116.1682 51.8018 43.4245 174.1923 43 F 4.7293 9.4505 121.4545 55.5182 42.5211 176.0968 44 K 4.0557 8.8799 126.0933 58.4412 32.6982 177.5822 45 S 4.3963 7.6999 113.8888 56.1855 66.2695 175.0210 46 A 3.9070 7.5676 127.1102 55.0052 18.1640 179.9442 47 E 3.8527 7.8876 116.7794 59.9349 29.7320 179.2223 48 D 4.4505 7.9859 118.0246 56.9347 40.9305 179.3267 49 C 2.9738 8.1248 119.5203 59.7677 44.8905 175.5784 50 M 3.9008 8.1302 120.2206 58.0493 31.3103 178.8346 51 R 3.8797 7.8806 118.4893 59.4199 30.3384 178.1244 52 T 4.2528 7.8039 114.5381 65.7487 68.8053 175.9730 53 C 4.5631 7.9271 119.6804 56.9845 44.2043 174.1070 54 G 3.2334 8.1772 107.1132 45.0741 0.0000 173.2554 55 G 3.7037 10.8117 110.6926 45.9030 0.0000 174.2152 56 A 4.0104 7.9111 127.1098 52.0646 18.6229 177.0753 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 D 8.35 4.28 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.71 5.14 0.00 3.29 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 3 C 8.29 4.83 0.00 2.89 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.29 4.61 0.00 1.85 1.79 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.93 4.47 0.00 2.38 1.96 0.00 0.00 0.00 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 2.50 0.00 6 P 0.00 4.50 0.00 1.98 1.95 0.00 3.69 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 2.03 2.09 0.00 7 P 0.00 3.94 0.00 1.64 0.49 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.00 8 Y 8.06 4.91 0.00 2.81 2.97 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 0.00 0.00 0.00 9 T 8.19 3.91 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 10 G 7.63 3.93 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 0.00 11 P 0.00 4.60 0.00 2.12 2.10 0.00 3.31 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 12 C 7.42 4.57 0.00 2.78 2.82 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 13 K 8.07 4.19 0.00 1.63 1.62 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.38 7.81 14 A 7.96 4.52 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 15 R 8.39 4.60 0.00 1.80 1.99 0.00 3.14 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 16 I 7.50 4.50 1.92 0.00 0.00 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 1.36 1.03 0.93 0.00 0.00 17 I 8.09 4.26 1.82 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 1.20 0.30 0.86 0.00 0.00 18 R 10.58 4.77 0.00 1.52 1.42 0.00 2.58 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 19 Y 9.58 5.74 0.00 3.15 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 20 F 9.32 5.54 0.00 2.98 2.82 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 21 Y 8.84 4.29 0.00 2.92 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 N 8.17 4.68 0.00 2.64 2.70 0.00 0.00 6.45 6.75 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 23 A 8.73 4.32 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 24 K 7.95 4.27 0.00 1.77 1.88 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.39 7.81 25 A 7.99 4.05 1.12 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 0.00 0.00 26 G 8.22 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 27 L 6.98 4.33 0.00 1.48 1.60 0.79 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.36 5.33 0.00 2.97 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 29 Q 7.96 4.32 0.00 1.90 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 30 T 8.18 4.53 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 0.25 0.00 0.00 31 F 9.38 5.11 0.00 3.08 3.35 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 0.00 32 V 8.42 4.07 2.05 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 0.83 0.00 0.00 0.91 0.00 0.00 33 Y 9.29 4.78 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.66 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 0.00 0.00 0.00 0.00 35 G 8.30 3.66 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 0.00 0.00 0.00 36 C 8.01 4.37 0.00 2.90 3.09 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 0.00 37 R 7.26 3.95 0.00 1.57 1.66 0.00 3.03 0.00 0.00 3.15 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.15 0.00 38 A 7.48 3.33 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.86 0.00 1.91 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 40 R 8.77 4.05 0.00 1.97 2.15 0.00 3.37 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 41 N 7.98 4.93 0.00 2.92 2.91 0.00 0.00 7.10 8.13 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 42 N 7.55 5.37 0.00 2.72 2.80 0.00 0.00 7.66 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 43 F 9.45 4.73 0.00 3.39 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.88 4.06 0.00 1.61 1.79 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.38 1.51 7.81 45 S 7.70 4.40 0.00 3.94 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 3.91 1.16 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 47 E 7.89 3.85 0.00 2.02 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 2.37 2.43 0.00 48 D 7.99 4.45 0.00 2.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.12 2.97 0.00 3.14 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 50 M 8.13 3.90 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.00 0.00 51 R 7.88 3.88 0.00 2.03 1.95 0.00 3.43 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 52 T 7.80 4.25 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 53 C 7.93 4.56 0.00 3.11 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 54 G 8.18 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.81 3.70 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 0.00 0.00 0.00 56 A 7.91 4.01 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