NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0051 8.3393 109.7385 45.4649 0.0000 173.1157 2 S 4.5462 8.2519 116.4526 55.5696 65.9522 172.0367 3 H 4.4374 9.6168 120.9494 56.7212 30.1876 175.8183 4 M 4.9953 8.0526 117.6661 54.4322 32.8231 175.4681 5 E 4.8271 8.0774 116.9053 57.8500 37.4300 176.2754 6 E 4.1109 8.0016 116.4709 56.4409 30.9288 175.0833 7 D 4.1688 8.6500 116.2276 54.7562 38.3485 172.3517 8 P 4.3736 0.0000 0.0000 64.6283 32.0720 178.5392 9 C 4.8367 7.3862 117.3364 59.1069 29.6588 173.6204 10 E 4.5567 8.4593 113.8341 55.8205 26.9194 176.8649 11 C 3.9557 8.3052 116.7533 62.4363 28.6294 175.3639 12 K 4.6074 7.8837 115.1464 55.6522 34.0454 177.9388 13 S 4.3066 7.8677 115.3826 61.0756 62.9845 176.1321 14 I 3.9367 7.9066 122.6910 63.8581 36.9290 178.1034 15 V 3.8900 7.7364 117.9850 64.7339 31.3001 177.8506 16 K 3.9902 7.7624 119.1596 59.5255 32.5151 178.2603 17 F 4.2837 8.3046 120.4781 60.9350 39.2668 177.1677 18 Q 3.7678 7.9937 117.5676 59.3543 28.6563 178.9763 19 T 4.1119 7.5417 117.5135 66.0114 68.3906 176.8086 20 K 3.9270 7.6535 120.0565 59.1205 32.0148 179.2866 21 V 3.5774 7.3005 118.0159 64.8933 30.9008 178.1073 22 E 3.8881 7.6791 118.2975 59.6199 29.5214 178.7462 23 E 4.0044 8.0024 118.3896 58.8964 29.6099 179.1024 24 L 3.8853 7.8417 120.5266 58.1503 42.2181 178.7988 25 I 3.6310 7.6817 118.6008 64.0910 38.0065 177.2172 26 N 4.2766 7.9238 117.7894 57.1585 38.7964 176.9850 27 T 3.9197 7.9828 116.9842 66.4165 68.5584 176.7489 28 L 3.9881 7.7530 121.0374 57.8043 41.7666 179.0736 29 Q 4.1325 8.1459 118.5749 58.1127 29.0194 178.1141 30 Q 3.9605 7.7761 119.0460 59.2922 29.0581 178.3417 31 K 4.1174 8.0900 118.7914 58.5004 31.9538 179.3036 32 L 3.9427 7.6443 120.9450 58.0163 42.0601 178.2881 33 E 4.0474 8.2978 118.3291 58.3469 29.4863 178.1343 34 A 4.0921 7.8281 120.2793 54.5782 19.1208 179.4844 35 V 3.5325 7.7363 116.7188 66.1434 31.6259 178.1891 36 A 4.0458 8.0734 120.4800 54.8631 17.7538 179.7133 37 K 4.3058 7.5005 118.0602 58.7613 32.2133 179.6424 38 R 4.0547 7.9350 118.6072 58.7234 30.0922 178.9229 39 I 3.7281 7.9094 120.0831 64.3451 36.6267 178.2554 40 E 3.9737 8.1989 118.1269 59.3246 29.0399 178.9160 41 A 4.6526 7.2939 121.7978 54.6163 18.7114 179.2893 42 L 4.1371 7.8126 116.7687 57.5160 41.7937 179.1520 43 E 4.1124 8.2345 118.0817 58.5943 29.4250 178.6857 44 N 4.4660 8.0641 116.4488 55.0033 38.4073 176.3387 45 K 4.5106 7.8670 116.7783 56.2790 33.8599 177.1145 46 I 4.2224 7.5735 118.6108 61.5560 37.9506 175.3316 47 I 3.8204 7.5840 124.4080 61.3504 37.7762 175.1259 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 G 8.34 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 2 S 8.25 4.55 0.00 4.02 3.80 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 3 H 9.62 4.44 0.00 3.13 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.05 5.00 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 5 E 8.08 4.83 0.00 1.92 1.93 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 2.22 2.32 0.00 6 E 8.00 4.11 0.00 1.99 1.93 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 2.33 2.33 0.00 7 D 8.65 4.17 0.00 2.86 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 8 P 0.00 4.37 0.00 2.22 2.11 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 9 C 7.39 4.84 0.00 2.93 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 10 E 8.46 4.56 0.00 2.17 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 2.30 2.73 0.00 11 C 8.31 3.96 0.00 2.96 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.61 0.00 1.77 1.78 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.42 7.81 13 S 7.87 4.31 0.00 3.87 3.91 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 14 I 7.91 3.94 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 0.95 0.00 0.00 15 V 7.74 3.89 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 1.01 0.00 0.00 1.00 0.00 0.00 16 K 7.76 3.99 0.00 1.91 1.97 0.00 2.18 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 17 F 8.30 4.28 0.00 3.19 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 18 Q 7.99 3.77 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.85 0.00 19 T 7.54 4.11 4.39 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 1.17 0.00 0.00 20 K 7.65 3.93 0.00 1.63 1.69 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.56 7.81 21 V 7.30 3.58 1.87 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 0.90 0.00 0.00 0.26 0.00 0.00 22 E 7.68 3.89 0.00 2.11 1.93 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 2.35 2.48 0.00 23 E 8.00 4.00 0.00 2.00 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 2.29 2.48 0.00 24 L 7.84 3.89 0.00 1.92 1.59 0.90 0.91 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 25 I 7.68 3.63 2.08 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 1.39 1.17 0.96 0.00 0.00 26 N 7.92 4.28 0.00 2.91 2.89 0.00 0.00 7.22 8.04 0.00 0.00 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 T 7.98 3.92 4.45 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 1.20 0.00 0.00 28 L 7.75 3.99 0.00 1.94 1.70 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.15 4.13 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 30 Q 7.78 3.96 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 31 K 8.09 4.12 0.00 1.81 1.86 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 32 L 7.64 3.94 0.00 2.00 1.78 0.92 0.58 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 33 E 8.30 4.05 0.00 2.13 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 2.30 2.32 0.00 34 A 7.83 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.53 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 1.09 0.00 0.00 0.97 0.00 0.00 36 A 8.07 4.05 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 37 K 7.50 4.31 0.00 2.08 1.86 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.33 7.81 38 R 7.94 4.05 0.00 1.99 1.96 0.00 3.13 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 39 I 7.91 3.73 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.07 0.91 0.00 0.00 40 E 8.20 3.97 0.00 2.22 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 2.45 2.34 0.00 41 A 7.29 4.65 1.43 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 0.00 0.00 0.00 42 L 7.81 4.14 0.00 1.90 1.72 0.92 0.72 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 43 E 8.23 4.11 0.00 2.12 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 2.30 2.44 0.00 44 N 8.06 4.47 0.00 3.06 2.86 0.00 0.00 6.66 6.95 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 45 K 7.87 4.51 0.00 1.67 1.82 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.54 7.81 46 I 7.57 4.22 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 0.91 0.00 0.00 47 I 7.58 3.82 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.95 0.00 0.00