NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2974 8.0427 122.7470 55.4481 44.5716 175.2052 2 Q 4.7009 7.9620 121.7008 53.3895 32.0271 171.2964 3 I 4.5985 9.2295 121.1680 59.0449 41.6124 174.4864 4 F 5.1437 9.2390 123.2679 56.7711 41.8645 175.6268 5 V 5.0898 8.3699 119.6195 60.9067 34.3962 173.8961 6 K 4.4072 8.9285 130.8058 56.3760 33.3141 176.7660 7 T 4.5977 8.9888 120.0807 60.7276 70.5027 175.0864 8 L 4.2819 8.4447 120.0378 56.6357 41.5522 177.6885 9 T 4.3430 7.6890 107.3090 61.0059 69.6133 174.8955 10 G 4.0418 8.1095 110.5287 45.3942 0.0000 174.3198 11 K 3.8745 7.8181 119.8882 57.1150 32.8529 175.3031 12 T 5.5104 8.4921 120.1481 60.6867 71.5634 173.0213 13 I 4.2431 8.2734 120.9613 60.5656 39.5460 175.1918 14 T 4.5567 8.6030 122.3956 63.4140 69.3957 173.7328 15 L 4.6162 8.9490 127.1186 52.8530 44.1716 175.1798 16 E 4.6611 8.7125 125.4412 55.6383 30.1633 175.5489 17 V 4.6139 8.3877 119.4225 59.7263 36.1864 174.5668 18 E 4.8437 8.6417 120.4914 53.9440 31.7714 176.1128 19 P 4.3267 0.0000 0.0000 64.8599 31.6388 177.5383 20 S 4.5454 7.7514 114.5636 58.2648 63.7421 173.5801 21 D 4.5324 8.0874 121.4940 54.1959 41.3991 176.7117 22 T 4.7060 8.1925 113.7253 61.1139 71.3717 175.9133 23 I 3.6440 8.4068 122.9240 64.5690 36.9451 178.2656 24 E 3.9442 8.3118 120.0663 59.5645 29.2924 178.7390 25 N 4.3339 8.3397 116.5481 56.1896 38.5848 177.6121 26 V 3.5533 7.6806 119.6548 65.9318 31.6761 178.1830 27 K 4.7041 8.3704 119.3528 59.0336 31.3946 179.0540 28 A 4.1282 7.8506 120.5815 54.2458 18.3577 179.9864 29 K 3.9079 7.7290 117.3252 59.8409 32.1733 179.2529 30 I 3.6878 7.7349 120.0039 64.7632 37.1352 178.2321 31 Q 3.9354 8.2208 120.1109 59.2769 28.6401 178.0525 32 D 4.3811 7.6160 118.4736 57.1749 40.9011 178.2600 33 K 4.0812 7.8400 119.4597 59.1873 32.4320 178.2702 34 E 4.2827 8.9456 119.3767 56.7309 29.9399 177.8971 35 G 4.2220 8.1510 105.2219 45.8747 0.0000 172.8716 36 I 4.0829 7.3595 120.6440 59.2622 37.5874 173.9913 37 P 4.2838 0.0000 0.0000 62.3249 32.0463 175.2704 38 P 4.2149 0.0000 0.0000 65.9334 31.2462 178.1625 39 D 4.4526 7.9764 114.1487 55.2394 39.7420 176.6974 40 Q 4.2523 8.1013 118.8458 56.7878 29.4360 175.0190 41 Q 5.0035 8.0823 118.5155 54.3549 31.3452 174.6110 42 R 4.9505 9.2898 122.3485 54.5132 33.7906 173.7758 43 L 5.1510 8.5162 125.0236 52.9942 44.4126 175.1149 44 I 4.9652 8.5404 124.1278 59.4094 40.6134 174.3945 45 F 5.0724 8.7615 128.0992 56.3122 42.0987 174.7085 46 A 3.7532 9.3253 131.1564 53.1699 15.8265 176.3338 47 G 4.2986 8.1854 111.9428 45.9013 0.0000 174.5123 48 K 4.1800 7.6653 119.4922 55.7599 32.6501 175.9385 49 Q 4.4854 8.5524 125.5849 55.9709 29.6660 175.2932 50 L 3.9011 8.3978 126.6237 54.1729 42.9986 175.9538 51 E 4.6688 9.0667 122.2766 54.7010 31.9809 176.6180 52 D 4.3933 9.1956 124.9606 57.7148 41.0457 179.7468 53 G 3.6369 8.0347 105.2961 47.7359 0.0000 173.8863 54 R 4.3577 8.0633 119.8415 55.6082 31.4341 175.1511 55 T 5.1276 8.4076 108.8009 59.6767 71.6009 175.5248 56 L 4.0117 8.3413 121.7704 58.0718 41.4520 179.6173 57 S 4.0972 7.9781 112.9283 61.9416 62.0478 176.1024 58 D 4.3291 7.6965 119.1401 56.8428 40.5294 177.5528 59 Y 4.4670 7.6771 113.7677 56.3468 39.6533 174.5626 60 N 4.1374 8.3467 117.6765 55.0734 37.3077 176.2049 61 I 4.1209 7.4811 119.1744 59.5999 37.2021 176.5713 62 Q 4.3558 7.9778 123.4200 54.4598 30.7879 176.4605 63 K 4.1401 8.3138 116.0021 58.0811 33.2182 177.2134 64 E 3.6146 8.9916 118.1628 56.9622 28.0938 175.0406 65 S 4.6419 7.3843 115.2900 59.1710 64.4616 173.4289 66 T 5.2048 8.5446 116.8993 62.2617 72.3007 173.3956 67 L 4.9988 8.8973 126.7661 53.1495 44.4587 175.5111 68 H 4.6396 8.7057 121.2865 55.4878 29.8366 174.2799 69 L 4.8283 8.4277 126.5430 54.2519 42.9878 175.8645 70 V 4.4966 9.1207 126.4591 60.8235 34.5659 174.0883 71 L 4.6127 8.4459 128.8965 54.8954 42.5902 175.9532 72 R 4.5436 8.9573 127.3072 55.4063 31.6814 176.1891 73 L 4.2339 8.0937 123.0152 55.2408 42.8008 175.9557 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 L 8.04 4.30 0.00 1.75 1.71 0.91 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 7.96 4.70 0.00 2.26 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.66 0.00 0.00 0.00 0.00 0.00 1.95 2.37 0.00 3 I 9.23 4.60 1.83 0.00 0.00 0.73 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 0.66 0.78 0.00 0.00 4 F 9.24 5.14 0.00 3.03 2.94 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 5 V 8.37 5.09 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 1.11 0.00 0.00 0.92 0.00 0.00 6 K 8.93 4.41 0.00 1.72 1.52 0.00 1.85 0.00 0.00 1.86 0.00 0.00 2.71 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.48 1.24 7.81 7 T 8.99 4.60 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 1.35 0.00 0.00 8 L 8.44 4.28 0.00 1.66 1.76 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.69 4.34 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 8.11 4.04 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 0.00 0.00 0.00 11 K 7.82 3.87 0.00 1.80 1.70 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.48 7.81 12 T 8.49 5.51 4.20 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 0.00 0.00 0.00 1.23 0.00 0.00 13 I 8.27 4.24 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 1.50 0.65 0.96 0.00 0.00 14 T 8.60 4.56 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 15 L 8.95 4.62 0.00 1.66 1.49 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.66 0.00 1.91 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 8.39 4.61 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 0.68 0.00 0.00 0.84 0.00 0.00 18 E 8.64 4.84 0.00 2.01 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 2.21 2.32 0.00 19 P 0.00 4.33 0.00 2.20 2.28 0.00 3.63 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 2.06 1.97 0.00 20 S 7.75 4.55 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 8.09 4.53 0.00 2.96 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.19 4.71 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 1.22 0.00 0.00 23 I 8.41 3.64 2.13 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 1.77 1.21 0.84 0.00 0.00 24 E 8.31 3.94 0.00 2.26 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 2.31 2.41 0.00 25 N 8.34 4.33 0.00 3.12 2.84 0.00 0.00 6.65 7.84 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 26 V 7.68 3.55 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 0.98 0.00 0.00 0.93 0.00 0.00 27 K 8.37 4.70 0.00 1.99 1.84 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.45 7.81 28 A 7.85 4.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.91 0.00 1.95 1.84 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.69 7.81 30 I 7.73 3.69 2.16 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 1.40 0.96 0.91 0.00 0.00 31 Q 8.22 3.94 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 32 D 7.62 4.38 0.00 2.82 2.71 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 0.00 0.00 0.00 33 K 7.84 4.08 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 34 E 8.95 4.28 0.00 2.05 1.98 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 2.31 2.46 0.00 35 G 8.15 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 0.00 0.00 0.00 0.00 36 I 7.36 4.08 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 1.41 0.60 0.97 0.00 0.00 37 P 0.00 4.28 0.00 2.17 1.99 0.00 3.85 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 38 P 0.00 4.21 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 39 D 7.98 4.45 0.00 2.78 2.80 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 40 Q 8.10 4.25 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 41 Q 8.08 5.00 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 42 R 9.29 4.95 0.00 1.79 1.83 0.00 3.04 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 43 L 8.52 5.15 0.00 1.54 1.48 0.88 0.83 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 44 I 8.54 4.97 1.92 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 1.13 1.53 0.92 0.00 0.00 45 F 8.76 5.07 0.00 2.95 2.84 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 0.00 0.00 0.00 46 A 9.33 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.19 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 0.00 0.00 0.00 0.00 48 K 7.67 4.18 0.00 2.10 1.90 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.45 7.81 49 Q 8.55 4.49 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 50 L 8.40 3.90 0.00 1.36 1.02 0.71 0.02 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 51 E 9.07 4.67 0.00 1.98 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 2.49 2.52 0.00 52 D 9.20 4.39 0.00 2.75 2.92 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 53 G 8.03 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.36 0.00 2.16 1.98 0.00 3.10 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.71 0.00 55 T 8.41 5.13 4.26 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 1.22 0.00 0.00 56 L 8.34 4.01 0.00 1.87 1.73 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.98 4.10 0.00 3.90 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 58 D 7.70 4.33 0.00 2.65 2.32 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 59 Y 7.68 4.47 0.00 2.95 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 60 N 8.35 4.14 0.00 2.92 2.98 0.00 0.00 6.96 7.49 0.00 0.00 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 7.48 4.12 1.63 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.81 0.11 0.00 0.00 62 Q 7.98 4.36 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 63 K 8.31 4.14 0.00 1.89 1.93 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.46 7.81 64 E 8.99 3.61 0.00 2.19 2.37 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 2.36 2.33 0.00 65 S 7.38 4.64 0.00 3.78 3.63 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 66 T 8.54 5.20 4.40 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 1.33 0.00 0.00 67 L 8.90 5.00 0.00 1.57 1.58 0.81 0.86 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 68 H 8.71 4.64 0.00 3.14 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.43 4.83 0.00 1.67 1.74 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.12 4.50 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 0.89 0.00 0.00 0.95 0.00 0.00 71 L 8.45 4.61 0.00 1.68 1.56 0.98 0.90 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 72 R 8.96 4.54 0.00 1.92 1.90 0.00 3.29 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 73 L 8.09 4.23 0.00 1.61 1.47 0.92 0.83 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