NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4581 8.1633 118.3247 55.3201 33.6297 173.4974 2 Q 4.9020 8.2104 118.2467 52.5324 31.1823 173.3788 3 I 4.4795 9.1626 117.3925 59.0017 42.1023 173.6940 4 F 5.4673 8.9709 121.2085 55.8290 41.9960 175.0412 5 V 4.7767 8.5965 121.6033 60.9063 34.3907 174.3246 6 K 4.5997 9.2126 130.9377 56.2772 33.3560 176.9656 7 T 4.5680 8.8250 119.5615 60.3495 70.6985 175.2786 8 L 4.1637 8.3720 120.3185 57.2513 41.6469 178.2721 9 T 4.1666 7.5127 107.9636 61.8123 69.3809 175.8394 10 G 3.9844 7.7975 110.2277 45.0849 0.0000 174.0291 11 K 4.1659 7.8296 120.5927 56.6010 32.8410 175.1742 12 T 5.1991 8.2630 119.3849 61.7086 71.1601 173.5722 13 I 4.6183 8.7863 119.4204 59.5260 41.1989 174.2224 14 T 5.1712 8.4538 118.5731 61.7915 70.8920 173.7327 15 L 4.7440 8.9979 126.0760 52.7904 44.9376 175.0720 16 E 4.7065 8.6792 124.3000 55.5154 30.2869 175.5096 17 V 4.6924 8.7981 119.6994 59.8841 36.3387 174.5142 18 E 4.6527 9.4334 121.2426 54.1052 31.6559 176.0314 19 P 4.1552 0.0000 0.0000 65.4807 31.5703 178.0976 20 S 4.5692 7.8074 111.1055 58.0689 63.4822 173.9942 21 D 4.4339 7.9295 122.1815 54.9683 41.4562 176.5753 22 T 4.6958 8.1943 112.9219 61.2324 71.4264 175.9815 23 I 3.7475 8.6440 123.3472 64.4153 37.0527 178.4540 24 E 3.9510 8.2190 120.3448 59.3551 29.4464 178.5516 25 N 4.3252 8.1722 116.4859 56.4083 38.5168 177.5347 26 V 3.5866 7.7253 119.2214 65.9581 31.6003 178.2787 27 K 4.1938 8.4896 119.3892 58.7977 31.6146 179.2311 28 A 4.0091 7.9133 120.3912 54.9772 18.4549 179.4973 29 K 4.0609 8.0534 117.0448 59.7821 32.0869 179.6486 30 I 3.7441 8.1277 120.6213 64.2990 36.9830 178.4884 31 Q 4.1322 8.1585 118.6584 59.3051 28.1175 178.3405 32 D 4.3638 7.6416 120.2540 57.0545 40.9142 178.5934 33 K 4.1549 7.8891 117.1886 59.1375 32.5604 178.4208 34 E 4.3912 8.5173 117.1554 56.0842 30.0080 177.6194 35 G 3.8465 8.0801 105.6833 45.4229 0.0000 172.7806 36 I 4.2323 7.3576 120.2213 58.6593 37.9554 174.0297 37 P 4.3618 0.0000 0.0000 62.0997 32.0722 175.7312 38 P 4.2180 0.0000 0.0000 65.7289 31.5033 178.3115 39 D 4.3342 8.1126 116.3452 56.8826 41.4007 176.4885 40 Q 4.6391 8.2734 116.2426 55.0333 28.6752 174.2621 41 Q 4.8252 8.0110 119.0498 54.2191 31.0566 174.4864 42 R 4.7994 9.1025 124.6128 54.4172 33.2026 174.0828 43 L 5.2227 8.4855 125.2538 53.0304 44.8022 175.1442 44 I 5.0209 8.8028 124.2255 59.4143 40.4865 174.2697 45 F 5.1316 9.1530 128.8180 56.5627 42.3153 174.7545 46 A 3.3824 9.1168 129.4248 53.1192 15.7524 178.1076 47 G 3.9846 8.0850 108.2445 46.3363 0.0000 174.2749 48 K 4.3918 7.6575 119.7128 55.0166 33.4610 175.3293 49 Q 4.6479 8.4229 124.0692 55.8205 29.7117 174.9727 50 L 4.1846 8.7124 127.1560 53.6272 43.3258 175.6053 51 E 4.5973 9.3089 124.2798 54.7108 31.2080 176.8412 52 D 4.4373 8.9864 126.1419 57.2693 41.1693 178.4853 53 G 3.7825 8.0079 105.8689 46.8618 0.0000 173.6417 54 R 4.5489 7.9432 119.8959 55.5646 32.2814 175.5151 55 T 4.9406 8.7191 110.9337 59.9503 71.6557 175.4892 56 L 4.0213 8.8113 122.3427 58.2052 42.1067 180.4100 57 S 4.0982 8.3031 113.5020 61.2783 63.1441 175.9516 58 D 4.1948 7.7573 120.1116 56.9319 40.5354 177.0621 59 Y 4.6247 7.2935 113.0235 56.8027 38.2257 174.8126 60 N 4.1072 8.0020 117.2349 54.4102 37.9815 174.4497 61 I 3.5431 7.7601 117.8151 60.6399 37.3387 175.7036 62 Q 4.7022 8.1010 125.2119 53.1217 31.5830 175.1497 63 K 4.2277 8.2361 117.4734 58.7562 32.7749 177.0106 64 E 3.6790 9.0746 119.8198 56.5807 28.1351 175.0143 65 S 4.4931 7.8106 116.1786 59.2590 64.1408 173.2743 66 T 5.2293 8.7889 119.9284 62.1029 70.2297 173.8781 67 L 4.9958 9.3554 126.8222 53.7275 44.5205 175.0699 68 H 5.1306 9.3322 119.4900 54.0439 31.1190 173.3991 69 L 4.7776 8.7740 126.5205 54.2160 42.9802 175.9073 70 V 4.5324 8.9398 125.9815 60.7159 34.9544 174.1537 71 L 4.5362 8.5841 129.1253 55.0071 42.6344 175.8394 72 R 4.5979 9.3811 127.6676 54.6839 31.5834 174.4502 73 L 4.7095 8.4766 126.7986 53.9385 42.4452 176.0501 74 R 4.4927 8.2793 120.0613 54.9534 33.2424 176.3620 75 G 3.7230 8.8562 106.4001 46.0527 0.0000 174.1290 76 G 4.0684 8.7452 108.2424 45.9753 0.0000 173.3888 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 8.16 4.46 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 2 Q 8.21 4.90 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 3 I 9.16 4.48 1.87 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 1.10 0.80 0.79 0.00 0.00 4 F 8.97 5.47 0.00 2.96 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 5 V 8.60 4.78 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 1.04 0.00 0.00 0.94 0.00 0.00 6 K 9.21 4.60 0.00 1.72 1.57 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.37 7.81 7 T 8.83 4.57 4.33 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 1.34 0.00 0.00 8 L 8.37 4.16 0.00 1.66 1.78 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.51 4.17 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 10 G 7.80 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 0.00 0.00 0.00 11 K 7.83 4.17 0.00 1.84 1.69 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.41 7.81 12 T 8.26 5.20 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 1.16 0.00 0.00 13 I 8.79 4.62 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.98 0.00 0.00 14 T 8.45 5.17 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 1.12 0.00 0.00 15 L 9.00 4.74 0.00 1.45 1.49 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.71 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 17 V 8.80 4.69 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 0.69 0.00 0.00 0.92 0.00 0.00 18 E 9.43 4.65 0.00 1.83 1.81 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 2.22 2.24 0.00 19 P 0.00 4.16 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 20 S 7.81 4.57 0.00 3.84 3.87 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 0.00 0.00 0.00 21 D 7.93 4.43 0.00 2.85 2.59 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 22 T 8.19 4.70 4.46 0.00 0.00 0.00 0.00 0.00 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 23 I 8.64 3.75 2.08 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 1.80 1.34 0.98 0.00 0.00 24 E 8.22 3.95 0.00 2.19 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 2.31 2.40 0.00 25 N 8.17 4.33 0.00 3.07 2.85 0.00 0.00 6.68 6.96 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 26 V 7.73 3.59 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 1.10 0.00 0.00 0.97 0.00 0.00 27 K 8.49 4.19 0.00 2.03 1.84 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.43 7.81 28 A 7.91 4.01 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 29 K 8.05 4.06 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.64 7.81 30 I 8.13 3.74 2.13 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 1.58 0.79 0.95 0.00 0.00 31 Q 8.16 4.13 0.00 2.30 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 32 D 7.64 4.36 0.00 2.83 2.78 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 33 K 7.89 4.15 0.00 1.73 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.53 7.81 34 E 8.52 4.39 0.00 2.02 2.00 0.00 0.00 0.00 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 2.46 0.00 35 G 8.08 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.36 4.23 1.88 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 0.91 0.91 0.00 0.00 37 P 0.00 4.36 0.00 2.17 1.98 0.00 3.61 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 38 P 0.00 4.22 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.11 4.33 0.00 2.62 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 40 Q 8.27 4.64 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 41 Q 8.01 4.83 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 42 R 9.10 4.80 0.00 1.82 1.88 0.00 3.05 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.49 5.22 0.00 1.59 1.51 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.80 5.02 1.91 0.00 0.00 0.85 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 0.95 0.93 0.00 0.00 45 F 9.15 5.13 0.00 2.92 2.75 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 46 A 9.12 3.38 0.62 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 47 G 8.08 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 0.00 0.00 0.00 48 K 7.66 4.39 0.00 1.80 1.74 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.61 7.81 49 Q 8.42 4.65 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.71 4.18 0.00 1.39 1.24 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.31 4.60 0.00 2.14 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 2.29 2.33 0.00 52 D 8.99 4.44 0.00 2.77 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 53 G 8.01 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 54 R 7.94 4.55 0.00 1.93 1.78 0.00 3.28 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 55 T 8.72 4.94 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 1.25 0.00 0.00 56 L 8.81 4.02 0.00 1.81 1.70 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.30 4.10 0.00 4.00 4.10 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 58 D 7.76 4.19 0.00 2.55 2.30 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 0.00 59 Y 7.29 4.62 0.00 3.02 3.01 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 60 N 8.00 4.11 0.00 2.86 2.98 0.00 0.00 7.14 7.48 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 61 I 7.76 3.54 1.75 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.29 0.54 0.00 0.00 62 Q 8.10 4.70 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 63 K 8.24 4.23 0.00 1.79 1.76 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.46 7.81 64 E 9.07 3.68 0.00 2.19 2.38 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 2.42 2.27 0.00 65 S 7.81 4.49 0.00 3.70 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.79 5.23 4.37 0.00 0.00 0.00 0.00 0.00 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 67 L 9.36 5.00 0.00 1.62 1.60 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.33 5.13 0.00 3.01 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.77 4.78 0.00 1.63 1.77 0.93 1.01 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 70 V 8.94 4.53 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 0.95 0.00 0.00 0.94 0.00 0.00 71 L 8.58 4.54 0.00 1.68 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.38 4.60 0.00 1.87 1.79 0.00 3.12 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 73 L 8.48 4.71 0.00 1.75 1.62 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.28 4.49 0.00 1.79 1.89 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 75 G 8.86 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 0.00 0.00 0.00 76 G 8.75 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00