NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3106 8.1631 117.3743 62.9455 69.8551 173.4645 2 G 3.4770 8.4392 115.3813 45.1730 0.0000 172.6664 3 A 4.1721 8.1740 125.6641 53.1193 21.0221 176.3922 4 G 4.3766 7.0895 110.7752 44.8379 0.0000 176.0547 5 T 3.8701 9.0094 121.7818 66.2626 67.8680 173.3517 6 P 4.5035 0.0000 0.0000 65.7607 30.9111 177.4479 7 S 4.4937 8.1538 113.0772 59.1069 62.6197 175.5629 8 Q 4.3140 8.5662 122.2712 57.7082 28.3954 178.1929 9 G 3.6179 8.0121 108.2799 48.1040 0.0000 174.4041 10 K 4.3299 7.9446 116.8451 56.6753 32.4124 178.0992 11 K 4.3906 7.4001 120.8478 55.1486 30.1753 176.2207 12 N 5.0470 7.9017 117.1208 52.4992 38.3554 175.0217 13 T 4.4651 7.8815 114.9145 63.1701 70.0737 174.3355 14 T 4.3998 8.3425 123.0300 62.7417 69.1988 172.8242 15 T 4.3095 7.5324 114.5187 63.0809 71.0083 172.7576 16 H 4.8748 8.0777 120.1892 55.0672 29.8714 174.6305 17 T 4.8065 10.1383 113.2837 58.8897 72.7996 173.0890 18 K 4.1628 8.8113 122.8950 57.5699 32.7292 175.3405 19 C 4.2386 9.4321 128.8936 58.7097 32.1673 174.1459 20 R 3.7036 8.4892 126.7672 59.4531 29.9439 177.5140 21 R 3.7082 7.2916 116.5423 58.4092 30.1432 176.4347 22 C 4.4880 7.9945 108.9767 57.3630 31.0819 174.6871 23 G 3.9293 8.2006 108.6755 45.1352 0.0000 173.4709 24 E 4.2374 7.6756 119.2133 55.0970 31.0260 176.6825 25 K 4.6844 8.1508 124.7786 56.1315 29.8275 176.6199 26 S 4.7790 7.8164 113.7592 58.0322 65.9612 174.4100 27 Y 4.6763 9.0723 123.9722 57.2904 39.4698 174.3471 28 H 4.5030 8.9807 129.0182 55.9071 29.7406 175.5762 29 T 3.4445 9.0089 122.1261 64.0543 67.0165 175.2540 30 K 4.2216 8.1355 119.4914 58.6691 32.7502 177.7935 31 K 4.0896 7.9876 115.8450 55.9103 33.1364 176.4025 32 K 3.1965 8.6630 119.1203 56.7210 30.1293 175.1906 33 V 4.5445 6.6968 115.9923 61.2875 35.0669 172.7996 34 C 5.0273 9.2689 128.1034 58.4729 32.1340 174.3529 35 S 4.4440 8.8238 121.7594 60.0320 63.3477 175.0508 36 S 4.5203 8.2912 115.2839 59.9950 62.9601 174.2014 37 C 4.5396 8.2261 112.4549 57.4908 30.8119 175.0773 38 G 4.0509 8.4203 109.5788 44.9275 0.0000 173.1738 39 F 4.4223 8.1396 122.2956 60.1693 39.6178 175.3081 40 G 3.7755 8.6538 115.0357 45.9293 0.0000 173.6709 41 K 4.3291 8.3944 118.8812 57.0003 33.8785 176.0644 42 S 4.7272 7.7263 110.3018 56.1085 65.2943 173.4098 43 A 4.1986 8.6869 129.5130 55.0388 18.5553 178.7044 44 K 4.2411 7.3982 113.3265 56.2902 32.7330 176.8733 45 R 4.4407 8.1510 120.1849 55.5262 31.0453 176.5923 46 R 3.8684 8.5091 124.5633 56.8134 30.5897 175.2980 47 D 4.4218 7.4175 121.9477 53.9669 43.9828 174.2819 48 Y 4.4899 8.3168 121.4571 55.9894 41.7735 176.4306 49 E 4.0205 8.5578 121.4605 58.5464 29.8512 178.5088 50 W 4.7198 7.5149 113.8340 57.1570 28.5429 176.7997 51 Q 4.3827 7.4698 118.0052 57.2608 28.3440 175.5780 52 S 4.7389 7.5156 110.3610 56.0657 66.5079 174.0216 53 K 4.0432 8.5633 120.0785 56.3915 32.4566 177.8891 54 A 4.0361 8.9238 125.7544 55.3164 18.2070 178.8076 55 G 4.1524 7.7842 102.4426 44.9925 0.0000 173.2259 56 E 4.2101 8.1843 126.5247 56.3155 29.8962 174.3491 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 T 8.16 4.31 4.24 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 1.21 0.00 0.00 2 G 8.44 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.17 1.29 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 0.00 0.00 4 G 7.09 4.38 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 0.00 5 T 9.01 3.87 4.24 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 1.21 0.00 0.00 6 P 0.00 4.50 0.00 2.22 2.20 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 7 S 8.15 4.49 0.00 4.15 3.92 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 8 Q 8.57 4.31 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 9 G 8.01 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.33 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 K 7.40 4.39 0.00 1.88 1.78 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.37 7.81 12 N 7.90 5.05 0.00 2.77 2.83 0.00 0.00 6.30 7.71 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 13 T 7.88 4.47 4.23 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 1.20 0.00 0.00 14 T 8.34 4.40 4.24 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 1.21 0.00 0.00 15 T 7.53 4.31 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 1.12 0.00 0.00 16 H 8.08 4.87 0.00 3.08 3.50 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 10.14 4.81 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 1.33 0.00 0.00 18 K 8.81 4.16 0.00 1.79 1.82 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.52 7.81 19 C 9.43 4.24 0.00 3.16 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 20 R 8.49 3.70 0.00 1.53 1.46 0.00 3.11 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 21 R 7.29 3.71 0.00 0.67 1.45 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.00 22 C 7.99 4.49 0.00 3.07 2.98 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 0.00 0.00 0.00 23 G 8.20 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 24 E 7.68 4.24 0.00 1.95 1.91 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 2.40 2.27 0.00 25 K 8.15 4.68 0.00 1.80 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.52 7.81 26 S 7.82 4.78 0.00 3.86 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 27 Y 9.07 4.68 0.00 3.10 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 28 H 8.98 4.50 0.00 3.20 3.09 0.00 5.84 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.01 3.44 4.28 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 1.19 0.00 0.00 30 K 8.14 4.22 0.00 1.86 1.85 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.42 7.81 31 K 7.99 4.09 0.00 1.54 1.71 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.53 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 0.81 7.81 32 K 8.66 3.20 0.00 1.72 1.87 0.00 1.78 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.50 7.81 33 V 6.70 4.54 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 1.08 0.00 0.00 0.94 0.00 0.00 34 C 9.27 5.03 0.00 3.42 3.13 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 35 S 8.82 4.44 0.00 4.11 4.08 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 36 S 8.29 4.52 0.00 3.91 3.98 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 0.00 0.00 0.00 37 C 8.23 4.54 0.00 3.16 3.17 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 38 G 8.42 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 0.00 0.00 0.00 0.00 39 F 8.14 4.42 0.00 3.10 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 40 G 8.65 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.33 0.00 1.64 2.01 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.34 7.81 42 S 7.73 4.73 0.00 3.83 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 43 A 8.69 4.20 1.31 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 0.00 0.00 44 K 7.40 4.24 0.00 1.74 1.72 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 45 R 8.15 4.44 0.00 1.65 1.82 0.00 3.37 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 46 R 8.51 3.87 0.00 1.89 1.97 0.00 3.45 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 47 D 7.42 4.42 0.00 2.49 2.21 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 48 Y 8.32 4.49 0.00 1.43 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 49 E 8.56 4.02 0.00 2.05 2.02 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 2.37 2.25 0.00 50 W 7.51 4.72 0.00 3.47 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 51 Q 7.47 4.38 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.09 1.51 0.00 52 S 7.52 4.74 0.00 3.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.04 0.00 1.83 1.80 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.92 4.04 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 55 G 7.78 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 0.00 0.00 0.00 0.00 56 E 8.18 4.21 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00