NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4745 8.3344 116.7940 58.4578 64.3127 172.6477 9 K 4.4368 8.1024 123.5968 53.7260 35.1860 173.3260 10 P 4.6093 0.0000 0.0000 62.2626 32.9824 176.3978 11 L 4.1103 9.5617 123.4107 57.5798 41.8062 178.2735 12 L 4.4240 7.8565 118.0696 54.3211 42.4058 177.5763 13 T 4.2516 8.9780 114.0521 60.6750 71.0718 175.7216 14 K 3.8113 8.5853 121.6842 60.1541 31.9349 178.7993 15 R 3.9256 7.9053 117.4367 59.0860 29.9322 178.6412 16 E 4.0209 8.0535 118.3013 59.4971 29.4633 179.4309 17 R 3.9553 8.1823 118.6395 59.4027 30.3104 178.3199 18 E 3.9696 8.2124 118.4525 59.3810 29.4614 179.5135 19 V 3.6290 8.0135 118.2220 66.2457 31.6048 178.2139 20 F 3.7849 8.6148 117.4302 60.2884 38.4451 177.4170 21 E 4.0564 8.3437 117.4310 58.6400 29.4910 178.6408 22 L 4.2372 7.3927 118.2848 56.9992 41.9188 178.5991 23 L 3.8725 7.9120 120.6428 58.1613 41.7866 179.3725 24 V 3.7646 7.9789 117.3528 63.8476 31.2396 177.0928 25 Q 4.4429 7.6821 117.8923 55.2878 28.8072 175.1546 26 D 4.5118 7.9760 118.0323 55.1714 38.8299 174.3155 27 K 4.4211 7.8574 117.8414 56.1823 33.0464 177.5782 28 T 4.3215 8.7524 113.3856 60.9312 71.2646 176.1034 29 T 3.7938 8.3381 117.7113 66.8391 68.3975 176.4049 30 K 3.8626 8.0276 120.6252 59.6230 32.1408 178.4316 31 E 3.9437 8.1984 118.6109 59.4399 29.4248 179.2563 32 I 3.6421 7.8862 119.6306 64.3386 37.3150 178.0609 33 A 3.9956 8.1428 121.5778 55.4867 17.9778 179.7322 34 S 4.1404 7.7977 111.8677 62.0743 63.0560 176.7961 35 E 4.1442 8.3443 119.6836 58.4414 29.2560 178.3223 36 L 4.5262 7.8049 116.3017 53.1485 42.8150 175.7769 37 F 4.0101 8.3007 119.8520 59.2583 38.0555 174.0400 38 I 4.6376 7.4837 110.0956 57.7354 41.0783 175.1760 39 S 4.3978 8.1590 115.5923 57.8759 65.0577 174.9792 40 E 3.9283 8.5661 122.3312 59.4997 29.2261 179.4909 41 K 3.8847 7.9920 119.1483 59.8638 32.2610 178.8056 42 T 3.8069 7.9821 116.0663 66.3660 68.3373 176.7822 43 V 3.5876 7.9217 120.1773 66.2914 31.5672 178.2686 44 R 3.9549 8.1926 117.8408 59.2441 29.7446 178.8805 45 N 4.3042 8.3042 116.2779 56.7841 38.6305 177.1518 46 H 4.2856 8.1366 117.5022 58.8615 28.6835 178.0346 47 I 3.9786 7.9331 121.5750 64.6517 37.0138 178.6854 48 S 4.1548 8.4767 116.3824 61.5936 62.6591 176.2725 49 N 4.3150 8.5138 119.6989 56.6272 38.7723 176.8600 50 A 3.9466 8.2627 122.1306 55.4300 18.5722 179.3382 51 M 4.0229 8.3622 117.4222 58.8621 32.0198 179.0977 52 Q 4.0143 8.2383 117.9860 58.8400 28.6450 178.6967 53 K 3.8908 7.7057 118.6008 59.5100 32.2241 178.6682 54 L 4.2893 7.6602 116.3613 54.5498 41.7904 177.6740 55 G 3.8804 7.6852 106.4262 46.2580 0.0000 173.7085 56 V 4.3587 7.6577 114.5089 60.0243 33.9904 176.4140 57 K 4.4668 8.7472 121.2897 54.6126 33.5234 176.7215 58 G 4.3640 7.7866 102.8134 42.7910 0.0000 174.1596 59 R 4.0396 8.4041 121.2580 59.4632 30.2956 179.7834 60 S 4.1927 8.0515 114.3719 61.5930 62.9746 176.4264 61 Q 4.0034 8.1065 121.7296 58.9247 28.8467 177.9247 62 A 3.9756 8.2349 122.0259 54.9436 18.4383 179.4873 63 V 3.6737 8.0732 116.9027 66.4661 31.4975 178.3782 64 V 3.5975 7.8246 117.6810 66.1116 31.3519 177.6151 65 E 3.9321 8.1651 118.6918 59.1095 29.3810 178.7626 66 L 3.9795 8.1102 119.3083 57.3753 41.7184 179.4086 67 L 3.9539 8.0714 119.1431 57.8484 41.3973 179.4196 68 R 3.9032 8.0092 117.5267 59.7645 30.1029 178.0592 69 M 4.2692 7.9467 116.7542 56.2551 32.0842 177.5211 70 G 3.9348 7.7352 106.6374 45.5132 0.0000 174.0644 71 E 4.2245 8.1107 118.2184 57.0176 29.8898 176.4325 72 L 4.9094 7.4890 119.5511 53.0651 45.3974 174.6250 73 E 4.7827 8.6809 121.5355 53.9291 32.1129 176.1192 74 L 4.1658 8.4144 118.6027 55.3387 41.6300 177.2599 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 8 S 8.33 4.47 0.00 3.87 3.86 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 9 K 8.10 4.44 0.00 1.73 1.60 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.52 7.81 10 P 0.00 4.61 0.00 2.07 1.94 0.00 3.72 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 2.01 2.09 0.00 11 L 9.56 4.11 0.00 1.68 1.67 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.86 4.42 0.00 1.62 1.56 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.98 4.25 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 14 K 8.59 3.81 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.56 7.81 15 R 7.91 3.93 0.00 1.77 1.67 0.00 3.40 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 16 E 8.05 4.02 0.00 2.32 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 2.62 2.40 0.00 17 R 8.18 3.96 0.00 1.90 2.07 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 18 E 8.21 3.97 0.00 2.23 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 2.34 2.58 0.00 19 V 8.01 3.63 2.24 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 0.83 0.00 0.00 0.93 0.00 0.00 20 F 8.61 3.78 0.00 3.29 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 4.06 0.00 2.12 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 2.55 2.52 0.00 22 L 7.39 4.24 0.00 1.90 1.67 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.91 3.87 0.00 1.62 1.63 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.98 3.76 2.24 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 0.92 0.00 0.00 0.97 0.00 0.00 25 Q 7.68 4.44 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 26 D 7.98 4.51 0.00 2.82 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 27 K 7.86 4.42 0.00 1.78 1.71 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.38 7.81 28 T 8.75 4.32 4.22 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 0.00 0.00 0.00 1.24 0.00 0.00 29 T 8.34 3.79 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 30 K 8.03 3.86 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.65 7.81 31 E 8.20 3.94 0.00 2.19 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 2.33 2.34 0.00 32 I 7.89 3.64 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.88 0.00 0.00 33 A 8.14 4.00 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 34 S 7.80 4.14 0.00 4.05 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 35 E 8.34 4.14 0.00 1.94 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 2.35 2.50 0.00 36 L 7.80 4.53 0.00 1.73 1.74 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.30 4.01 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 4.64 1.87 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 1.51 0.86 0.94 0.00 0.00 39 S 8.16 4.40 0.00 4.03 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 40 E 8.57 3.93 0.00 2.01 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 2.35 0.00 41 K 7.99 3.88 0.00 1.80 1.78 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 42 T 7.98 3.81 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 1.19 0.00 0.00 43 V 7.92 3.59 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.99 0.00 0.00 44 R 8.19 3.95 0.00 1.87 1.97 0.00 3.17 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 45 N 8.30 4.30 0.00 2.82 2.80 0.00 0.00 6.97 7.67 0.00 0.00 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 H 8.14 4.29 0.00 3.39 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.93 3.98 2.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.91 0.00 0.00 48 S 8.48 4.15 0.00 3.93 3.93 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 49 N 8.51 4.31 0.00 2.99 3.12 0.00 0.00 7.14 8.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.26 3.95 1.37 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 0.00 0.00 0.00 51 M 8.36 4.02 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.74 0.00 52 Q 8.24 4.01 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 53 K 7.71 3.89 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.70 7.81 54 L 7.66 4.29 0.00 1.73 1.68 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.69 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 0.00 0.00 0.00 56 V 7.66 4.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.00 0.00 0.00 57 K 8.75 4.47 0.00 1.77 1.69 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.22 7.81 58 G 7.79 4.36 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 0.00 59 R 8.40 4.04 0.00 1.88 1.99 0.00 3.09 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 60 S 8.05 4.19 0.00 3.88 3.93 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 61 Q 8.11 4.00 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 62 A 8.23 3.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.07 3.67 2.33 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 1.06 0.00 0.00 1.16 0.00 0.00 64 V 7.82 3.60 2.10 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 1.04 0.00 0.00 1.00 0.00 0.00 65 E 8.17 3.93 0.00 2.15 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 2.27 2.35 0.00 66 L 8.11 3.98 0.00 1.78 1.60 0.27 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.07 3.95 0.00 1.87 1.72 0.94 0.72 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 68 R 8.01 3.90 0.00 1.90 2.13 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 69 M 7.95 4.27 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 70 G 7.74 3.93 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 0.00 0.00 0.00 71 E 8.11 4.22 0.00 1.90 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 2.33 0.00 72 L 7.49 4.91 0.00 1.52 1.48 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.68 4.78 0.00 2.10 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 2.21 2.25 0.00 74 L 8.41 4.17 0.00 1.67 1.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00