NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2644 8.5445 121.4192 55.6328 31.6561 176.5137 3 E 4.3377 7.6681 114.3612 54.5739 30.7638 177.7147 4 Y 4.9462 8.4647 119.4760 55.2684 43.2432 174.7220 5 V 3.9562 8.6257 122.3983 63.2029 32.8423 174.8112 6 V 4.2916 8.4208 127.5184 62.0260 32.2004 174.8598 7 E 4.3815 9.3702 131.4835 58.8622 31.0246 176.5160 8 K 4.6166 7.5121 120.2617 53.8995 36.4319 176.3142 9 V 4.2116 8.2009 122.3798 61.7851 31.8722 175.3167 10 L 4.5391 8.5199 128.1029 56.2027 43.4187 175.8750 11 D 4.6498 6.9861 115.8105 53.4008 44.7928 173.9680 12 R 5.2297 8.5865 121.0599 54.7351 33.4601 173.8643 13 R 4.7069 9.1259 120.5663 54.6701 33.7434 173.6737 14 V 4.7330 8.1482 119.1139 61.1194 33.8655 175.0166 15 V 4.2322 8.4184 127.2814 62.2093 34.3054 175.0936 16 K 3.8940 9.7452 126.3863 57.6459 29.4495 176.2197 17 G 3.9705 8.7084 104.3372 45.3667 0.0000 173.8444 18 Q 4.5569 7.8874 117.1297 53.7572 31.6141 174.5029 19 V 4.2046 8.1606 120.3566 62.8557 32.9008 174.5067 20 E 5.2544 9.1505 126.4015 54.8400 34.0725 174.2261 21 Y 5.0516 9.0332 118.9236 56.1370 42.4857 174.3112 22 L 3.9295 8.3097 126.0052 53.7993 43.3729 175.0715 23 L 4.6449 8.1904 126.5998 52.6010 44.5508 175.4312 24 K 4.6138 8.2284 125.0143 54.7107 33.6587 175.3618 25 W 4.7759 8.5697 128.0767 55.6506 30.6554 176.0616 26 K 4.4824 8.5411 126.0731 57.2629 31.9913 177.4815 27 G 3.9622 9.0702 114.0854 45.5058 0.0000 172.9435 28 F 4.6009 8.0592 120.5050 55.9554 41.0471 176.6502 29 S 4.4849 8.4182 120.0297 57.7946 63.0825 175.3258 30 E 4.5756 8.6031 116.6867 59.3930 29.4459 178.7641 31 E 4.1612 8.2130 117.7121 58.5270 29.6849 176.8144 32 H 4.7030 8.1585 115.1455 55.4474 29.1675 175.0352 33 N 5.0900 8.1122 118.3663 53.5651 39.5659 174.1381 34 T 4.8314 8.2700 110.6112 59.7883 72.8146 172.8750 35 W 4.7908 8.8546 122.8727 56.8653 30.1873 175.6399 36 E 5.0281 9.3430 122.4451 53.9434 33.7069 173.7759 37 P 4.9186 0.0000 0.0000 62.1982 32.5944 176.8137 38 E 4.1453 9.1393 120.8421 59.2677 29.5998 179.2517 39 K 4.1483 8.1022 116.4315 59.1484 32.6563 177.1556 40 N 4.6702 8.1976 116.0010 53.8781 39.0428 175.0110 41 L 4.4412 7.6741 119.2515 53.8849 43.0327 176.4081 42 D 4.9470 8.3855 121.8282 53.4322 42.2524 176.1327 43 C 4.8195 7.4264 112.6268 55.5063 30.1263 173.3655 44 P 4.2167 0.0000 0.0000 66.6180 31.3621 178.3778 45 E 3.9976 8.0590 117.8834 58.9381 29.4550 178.9948 46 L 3.9685 7.7720 118.8676 57.6161 41.7576 179.2319 47 I 3.5974 7.4997 119.4609 64.4493 37.1170 178.5133 48 S 4.2061 8.3187 118.3960 62.3233 62.4602 177.2479 49 E 3.9897 8.1252 119.6900 61.0402 29.5075 180.3641 50 F 4.5142 8.0993 120.6592 61.5899 39.6193 177.0917 51 M 4.0412 8.4357 116.5466 57.5277 31.7397 177.1675 52 K 4.2295 7.7391 122.8445 56.5621 32.4199 176.5122 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 2 E 8.54 4.26 0.00 1.90 2.01 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 2.23 2.34 0.00 3 E 7.67 4.34 0.00 2.11 1.71 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 0.00 2.19 1.96 0.00 4 Y 8.46 4.95 0.00 2.76 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 5 V 8.63 3.96 2.26 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 1.11 0.00 0.00 1.03 0.00 0.00 6 V 8.42 4.29 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 0.52 0.00 0.00 0.68 0.00 0.00 7 E 9.37 4.38 0.00 2.16 2.04 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 2.24 2.26 0.00 8 K 7.51 4.62 0.00 1.44 1.58 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.35 1.00 7.81 9 V 8.20 4.21 2.08 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 0.43 0.00 0.00 0.66 0.00 0.00 10 L 8.52 4.54 0.00 1.33 1.57 0.76 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 D 6.99 4.65 0.00 2.55 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 12 R 8.59 5.23 0.00 1.66 1.89 0.00 3.61 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.00 13 R 9.13 4.71 0.00 1.55 1.60 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.14 0.00 14 V 8.15 4.73 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 0.81 0.00 0.00 0.88 0.00 0.00 15 V 8.42 4.23 1.92 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 0.83 0.00 0.00 0.69 0.00 0.00 16 K 9.75 3.89 0.00 1.88 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.36 7.81 17 G 8.71 3.97 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 0.00 0.00 0.00 18 Q 7.89 4.56 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 19 V 8.16 4.20 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 0.75 0.00 0.00 0.92 0.00 0.00 20 E 9.15 5.25 0.00 1.82 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 2.23 2.18 0.00 21 Y 9.03 5.05 0.00 2.78 2.58 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 22 L 8.31 3.93 0.00 0.27 0.73 0.09 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.19 4.64 0.00 0.57 0.38 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.23 4.61 0.00 1.76 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.43 7.81 25 W 8.57 4.78 0.00 3.04 2.86 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 26 K 8.54 4.48 0.00 1.80 1.89 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.42 7.81 27 G 9.07 3.96 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 0.00 0.00 0.00 28 F 8.06 4.60 0.00 3.21 2.89 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 0.00 0.00 0.00 29 S 8.42 4.48 0.00 3.65 3.75 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 30 E 8.60 4.58 0.00 2.15 2.27 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 2.39 2.31 0.00 31 E 8.21 4.16 0.00 1.99 2.04 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 2.34 2.29 0.00 32 H 8.16 4.70 0.00 3.33 3.21 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.11 5.09 0.00 2.63 2.59 0.00 0.00 6.62 6.57 0.00 0.00 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 T 8.27 4.83 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 1.32 0.00 0.00 35 W 8.85 4.79 0.00 3.19 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 36 E 9.34 5.03 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 37 P 0.00 4.92 0.00 2.27 2.22 0.00 3.95 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 38 E 9.14 4.15 0.00 2.27 2.12 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 2.41 2.44 0.00 39 K 8.10 4.15 0.00 1.94 1.98 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 40 N 8.20 4.67 0.00 3.01 3.02 0.00 0.00 6.96 8.70 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 41 L 7.67 4.44 0.00 1.78 1.48 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.39 4.95 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.43 4.82 0.00 2.98 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 44 P 0.00 4.22 0.00 2.26 2.32 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 45 E 8.06 4.00 0.00 2.06 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 2.39 2.44 0.00 46 L 7.77 3.97 0.00 1.68 1.62 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.50 3.60 1.89 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.38 0.82 0.00 0.00 48 S 8.32 4.21 0.00 4.02 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 49 E 8.13 3.99 0.00 2.06 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 0.00 2.26 2.19 0.00 50 F 8.10 4.51 0.00 3.08 3.32 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 51 M 8.44 4.04 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.10 0.00 52 K 7.74 4.23 0.00 1.82 1.68 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.66 7.81