NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5592 8.3044 120.3494 54.8340 34.7020 174.3393 2 K 4.1658 7.3716 122.1141 52.9908 33.6716 176.1702 3 S 4.2406 8.7458 113.3661 58.4842 64.0538 173.6470 4 T 4.1617 8.6419 114.7294 61.4315 69.6530 175.0533 5 G 3.8169 8.0520 108.5647 46.5280 0.0000 172.8460 6 I 4.3484 7.8003 120.0998 59.2256 38.6588 176.0513 7 V 4.2258 8.1643 118.7974 60.4342 32.8434 175.6528 8 R 4.7309 7.9809 120.3795 54.2867 34.1832 175.3081 9 K 4.2449 8.3380 119.2060 56.4858 32.8507 177.6067 10 V 4.1812 8.2528 120.2781 62.3322 32.1447 176.3278 11 D 4.4998 7.9836 116.3994 54.7541 39.8644 173.2956 12 E 4.5259 8.7390 110.3619 57.7465 31.5076 177.4415 13 L 4.0300 8.2919 117.5546 55.6193 41.7785 177.8285 14 G 4.0044 7.7644 107.3482 44.9009 0.0000 173.1862 15 R 4.4633 7.5903 116.3031 53.8683 30.6221 176.1035 16 V 4.2561 8.1389 122.7168 60.1614 32.3648 177.2794 17 V 3.8183 8.0837 124.6152 61.8784 29.5464 173.2515 18 I 3.8193 7.7857 123.5274 59.3371 38.7371 174.5483 19 P 4.3767 0.0000 0.0000 62.7550 33.1255 177.3811 20 I 3.7633 8.3981 115.0311 64.1564 37.1232 178.4987 21 E 3.9602 8.0172 119.2770 59.2730 29.6147 178.7706 22 L 4.2558 8.0586 120.0972 57.1630 41.9250 179.2565 23 R 4.0624 7.9737 114.8120 58.1156 29.3007 178.3813 24 R 4.0181 8.0496 120.2189 59.3144 30.2488 178.2894 25 T 3.9057 8.0715 116.0982 66.3296 68.2967 176.1180 26 L 4.4398 7.9308 117.9651 54.4548 42.0648 177.4339 27 G 3.9423 7.4220 106.8389 46.2347 0.0000 174.5189 28 I 4.2103 7.5140 115.2151 60.6121 39.5575 173.1180 29 A 4.4898 7.8973 121.1609 52.1548 21.6247 176.6411 30 E 4.0867 8.6762 115.1206 59.0447 29.9764 177.9172 31 K 4.1287 7.9007 116.2979 57.0277 32.4042 176.1434 32 D 4.6673 7.4548 119.0880 53.2681 42.6356 174.4607 33 A 4.8506 8.2979 121.0270 49.8933 22.2548 174.9536 34 L 4.8619 8.4305 120.5769 52.8785 44.6754 176.1896 35 E 4.1722 9.4597 126.1621 55.2239 29.8661 174.5955 36 I 4.5598 7.7689 127.5095 60.6175 38.6788 174.7563 37 Y 5.0274 9.0260 123.3595 56.5205 42.5799 174.1463 38 V 4.9587 8.3767 118.2747 62.1749 35.0082 173.7238 39 D 4.7563 9.4034 127.6301 53.3059 41.8557 174.1089 40 D 4.7082 8.4411 125.2313 54.6188 39.8517 173.7652 41 E 4.7824 7.9397 115.7999 55.8970 31.5340 175.2443 42 K 4.7657 8.2240 117.7441 55.7858 36.3862 175.0098 43 I 4.6974 8.3433 122.1054 60.5654 38.8582 175.5337 44 I 4.4653 9.2693 127.0690 59.7124 40.0981 174.7431 45 L 4.6840 8.6134 128.2990 53.2316 42.5448 176.1183 46 K 4.7767 8.6766 126.3309 53.7122 34.9554 175.4361 47 K 4.3198 8.9633 126.2674 57.5775 32.7915 175.9317 48 Y 4.2850 8.9283 124.3128 57.4455 40.0177 175.8264 49 K 3.7731 7.5919 126.1855 55.9301 32.2013 174.9381 50 P 4.3903 0.0000 0.0000 63.0129 31.0994 176.3908 51 N 4.5722 7.5597 118.9626 53.6224 37.3940 173.7432 52 M 4.8697 7.8998 120.9234 53.4098 34.4262 175.4130 53 T 4.0763 8.4789 110.1547 62.1144 69.0995 174.2451 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 M 8.30 4.56 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 7.37 4.17 0.00 1.78 1.20 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.49 7.81 3 S 8.75 4.24 0.00 4.02 3.88 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 4 T 8.64 4.16 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 1.27 0.00 0.00 5 G 8.05 3.82 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 0.00 0.00 0.00 6 I 7.80 4.35 1.87 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 1.42 0.54 0.91 0.00 0.00 7 V 8.16 4.23 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 0.71 0.00 0.00 0.93 0.00 0.00 8 R 7.98 4.73 0.00 1.73 1.76 0.00 3.43 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 9 K 8.34 4.24 0.00 1.78 1.71 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.36 7.81 10 V 8.25 4.18 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 0.92 0.00 0.00 0.93 0.00 0.00 11 D 7.98 4.50 0.00 2.98 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 12 E 8.74 4.53 0.00 2.06 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 2.15 2.22 0.00 13 L 8.29 4.03 0.00 1.65 1.76 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.46 0.00 1.90 1.93 0.00 3.02 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 16 V 8.14 4.26 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 1.11 0.00 0.00 0.95 0.00 0.00 17 V 8.08 3.82 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 0.86 0.00 0.00 0.93 0.00 0.00 18 I 7.79 3.82 1.87 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 1.42 0.93 0.96 0.00 0.00 19 P 0.00 4.38 0.00 2.20 1.97 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 20 I 8.40 3.76 1.87 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 1.64 0.69 0.91 0.00 0.00 21 E 8.02 3.96 0.00 1.96 2.06 0.00 0.00 0.00 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 2.40 0.00 22 L 8.06 4.26 0.00 1.87 1.72 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.97 4.06 0.00 2.12 2.19 0.00 2.91 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 24 R 8.05 4.02 0.00 2.05 2.15 0.00 3.39 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 25 T 8.07 3.91 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 26 L 7.93 4.44 0.00 1.62 1.73 0.94 0.96 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 27 G 7.42 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 0.00 0.00 0.00 0.00 28 I 7.51 4.21 2.00 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 1.35 0.67 0.97 0.00 0.00 29 A 7.90 4.49 1.26 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 0.00 0.00 30 E 8.68 4.09 0.00 2.09 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 0.00 2.27 2.27 0.00 31 K 7.90 4.13 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.37 7.81 32 D 7.45 4.67 0.00 2.78 2.63 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 0.00 0.00 0.00 33 A 8.30 4.85 1.10 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 0.00 0.00 34 L 8.43 4.86 0.00 1.48 1.54 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.46 4.17 0.00 2.07 1.84 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 0.00 1.90 2.24 0.00 36 I 7.77 4.56 1.75 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 1.29 0.46 0.87 0.00 0.00 37 Y 9.03 5.03 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.96 2.13 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 0.85 0.00 0.00 1.00 0.00 0.00 39 D 9.40 4.76 0.00 2.67 2.55 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 40 D 8.44 4.71 0.00 2.83 2.63 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 0.00 0.00 0.00 41 E 7.94 4.78 0.00 2.01 1.94 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 2.17 2.28 0.00 42 K 8.22 4.77 0.00 1.81 1.90 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.42 7.81 43 I 8.34 4.70 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 1.36 0.59 0.92 0.00 0.00 44 I 9.27 4.47 2.21 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.34 0.99 0.00 0.00 45 L 8.61 4.68 0.00 1.52 1.63 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.68 4.78 0.00 2.01 1.99 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 47 K 8.96 4.32 0.00 1.82 1.86 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.55 7.81 48 Y 8.93 4.29 0.00 2.89 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 49 K 7.59 3.77 0.00 1.58 1.15 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.31 7.81 50 P 0.00 4.39 0.00 2.20 2.10 0.00 3.70 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 1.93 1.91 0.00 51 N 7.56 4.57 0.00 2.68 2.71 0.00 0.00 6.81 7.33 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 52 M 7.90 4.87 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.74 0.00 53 T 8.48 4.08 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 1.22 0.00 0.00