NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2461 8.1593 110.8489 61.6546 70.9698 174.0546 2 T 4.3123 6.7540 108.8617 61.2841 72.8030 174.2901 3 Y 4.1057 7.1803 119.4868 58.2827 39.1259 176.9436 4 K 4.4641 6.3269 116.0284 54.8583 34.7929 175.2468 5 L 4.2739 7.6484 115.2214 54.5515 44.0806 173.2038 6 I 4.0907 8.6113 128.6161 60.8696 37.6256 175.6823 7 L 4.4896 8.2624 125.0681 55.7190 42.1506 176.2832 8 N 4.3815 7.5236 116.3296 52.2370 41.7647 174.5149 9 L 4.2958 8.1759 125.9826 57.3237 42.1960 178.6283 10 K 3.5314 8.1899 119.1085 59.9694 31.7834 178.1973 11 Q 3.9306 8.1010 118.8116 58.9134 28.9164 177.7635 12 A 2.5800 7.2418 121.2190 54.3216 18.6559 179.5363 13 K 3.9100 8.6126 118.2833 60.3702 32.9415 178.9904 14 E 3.8481 8.2582 120.8595 59.2103 29.2722 179.4980 15 E 3.8742 7.8303 117.7031 58.9050 29.5024 179.0084 16 A 3.7896 7.8441 121.3581 55.1852 18.3544 179.8534 17 I 3.5973 7.4946 117.5454 64.3156 37.3066 178.1615 18 K 3.8062 7.7502 120.0975 59.7390 31.9180 178.3870 19 E 3.8782 8.7171 119.3069 59.5274 29.3251 179.2719 20 L 3.8570 7.7564 119.9014 58.0095 41.8534 179.1888 21 V 3.5915 8.0574 118.0945 65.6990 31.5396 177.2522 22 D 4.5266 8.6979 118.1027 55.8643 40.9320 177.6807 23 A 4.4523 8.6021 120.6965 53.1783 21.2490 176.7554 24 G 3.5927 8.3310 103.6174 46.1915 0.0000 171.2453 25 T 4.6380 7.1179 113.0755 59.9154 71.1035 172.0516 26 A 4.1028 8.5788 124.1333 52.6671 17.6498 177.9638 27 E 4.0304 8.8392 122.4560 60.2273 29.6251 179.2216 28 K 3.7654 8.2565 118.1460 60.0720 31.9983 178.4605 29 Y 4.0433 8.1490 116.7009 60.9602 37.7055 177.9720 30 I 3.7219 8.0734 119.8485 63.9492 37.7793 177.8663 31 K 3.9621 7.5107 118.9927 59.1520 32.2028 178.3148 32 L 4.1049 7.9907 121.1513 57.8148 41.9751 178.8927 33 I 3.9049 7.6930 112.5927 63.5599 37.5332 177.6066 34 A 4.1422 7.4413 122.1159 54.7874 18.1467 178.1948 35 N 4.5421 7.6172 111.6120 53.0786 39.7121 175.1095 36 A 3.9708 7.6670 122.9879 53.3171 18.8509 176.9904 37 K 4.3543 8.7215 122.7231 57.1455 34.0663 176.9663 38 T 4.5691 7.5519 109.3183 60.2117 71.4812 175.8212 39 V 3.8514 8.4525 117.6079 64.8203 31.5917 178.4949 40 E 4.1405 8.2984 118.5984 59.2826 29.5250 178.8527 41 G 3.6833 7.8074 105.4420 47.5645 0.0000 175.8930 42 V 3.6372 7.8076 119.8544 65.8220 31.8767 178.1961 43 W 4.0293 8.3979 118.6308 60.0303 28.7129 178.7577 44 T 4.0034 8.4611 116.1311 66.3506 67.7007 176.7787 45 L 4.3768 7.7527 121.3135 56.9863 41.9927 179.4282 46 K 3.9933 7.7582 118.0839 60.2751 32.4645 178.7014 47 D 4.3330 7.9497 119.4898 56.5855 40.9434 177.8569 48 E 3.8883 8.7091 120.1060 59.4286 29.1315 179.3651 49 I 3.4516 6.9478 118.5647 63.8321 37.2426 178.0869 50 K 4.0698 7.5420 118.4046 59.4563 30.6239 178.6243 51 T 4.2797 7.8774 114.4554 62.9387 68.7017 175.5724 52 F 3.4744 7.8675 120.6254 58.2355 38.4308 176.0106 53 T 3.2766 7.1282 109.0810 62.0871 69.2871 172.1553 54 V 4.1471 8.0939 113.3608 62.0186 33.0744 172.0695 55 T 3.3619 8.5499 123.3545 63.3002 64.9027 172.2253 56 E 4.2263 8.0957 124.1792 56.3754 29.5807 174.6703 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 4.25 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 1.13 0.00 0.00 2 T 6.75 4.31 4.18 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 0.00 0.00 0.00 1.13 0.00 0.00 3 Y 7.18 4.11 0.00 3.02 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 4 K 6.33 4.46 0.00 2.02 2.14 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.06 1.19 7.81 5 L 7.65 4.27 0.00 1.56 1.55 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.61 4.09 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.95 0.00 0.00 7 L 8.26 4.49 0.00 1.74 1.76 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.52 4.38 0.00 2.79 2.79 0.00 0.00 7.27 6.70 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 9 L 8.18 4.30 0.00 1.72 1.71 1.04 0.89 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 10 K 8.19 3.53 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.54 7.81 11 Q 8.10 3.93 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.80 2.83 0.00 12 A 7.24 2.58 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 13 K 8.61 3.91 0.00 1.92 2.02 0.00 1.26 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.68 7.81 14 E 8.26 3.85 0.00 1.97 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 2.28 2.60 0.00 15 E 7.83 3.87 0.00 1.58 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 2.35 2.30 0.00 16 A 7.84 3.79 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.60 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.56 0.89 0.00 0.00 18 K 7.75 3.81 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.52 7.81 19 E 8.72 3.88 0.00 1.92 1.95 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 2.37 2.33 0.00 20 L 7.76 3.86 0.00 2.05 1.70 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.06 3.59 2.22 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 0.84 0.00 0.00 0.94 0.00 0.00 22 D 8.70 4.53 0.00 2.74 2.70 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 23 A 8.60 4.45 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.33 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.12 4.64 4.31 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 1.23 0.00 0.00 26 A 8.58 4.10 1.35 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 0.00 0.00 27 E 8.84 4.03 0.00 2.03 2.03 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 2.41 2.63 0.00 28 K 8.26 3.77 0.00 1.71 1.78 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.60 7.81 29 Y 8.15 4.04 0.00 3.19 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 30 I 8.07 3.72 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.60 0.91 0.00 0.00 31 K 7.51 3.96 0.00 1.89 2.00 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 32 L 7.99 4.10 0.00 1.85 1.76 0.79 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.69 3.90 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 1.00 0.00 0.00 34 A 7.44 4.14 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 35 N 7.62 4.54 0.00 2.77 2.84 0.00 0.00 7.12 7.84 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 36 A 7.67 3.97 1.34 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 0.00 0.00 37 K 8.72 4.35 0.00 1.73 1.85 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.41 7.81 38 T 7.55 4.57 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 39 V 8.45 3.85 2.25 0.00 0.00 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 0.96 0.00 0.00 40 E 8.30 4.14 0.00 2.07 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 0.00 2.40 2.41 0.00 41 G 7.81 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 42 V 7.81 3.64 2.09 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 1.10 0.00 0.00 1.06 0.00 0.00 43 W 8.40 4.03 0.00 3.67 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 44 T 8.46 4.00 4.29 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 1.28 0.00 0.00 45 L 7.75 4.38 0.00 1.72 1.78 0.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.76 3.99 0.00 1.92 1.95 0.00 1.03 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.38 7.81 47 D 7.95 4.33 0.00 3.03 2.72 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 48 E 8.71 3.89 0.00 1.93 1.61 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 2.25 2.43 0.00 49 I 6.95 3.45 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.14 0.81 0.00 0.00 50 K 7.54 4.07 0.00 1.84 1.90 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.63 7.81 51 T 7.88 4.28 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 52 F 7.87 3.47 0.00 3.20 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 53 T 7.13 3.28 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 1.16 0.00 0.00 54 V 8.09 4.15 2.11 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 0.70 0.00 0.00 0.95 0.00 0.00 55 T 8.55 3.36 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 1.23 0.00 0.00 56 E 8.10 4.23 0.00 1.88 1.77 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 2.22 2.39 0.00