NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 K 4.2117 8.1733 120.1421 55.1538 33.5856 174.1792 17 P 4.6292 0.0000 0.0000 61.3503 30.5461 175.1339 18 F 3.9182 9.0531 126.6950 59.8855 40.8686 175.5549 19 L 3.7381 8.2139 124.4355 54.7428 39.2920 176.1568 20 K 3.9879 7.7356 120.5884 58.8120 32.1835 178.1401 21 G 3.8655 7.9182 105.2598 46.4757 0.0000 173.6543 22 L 4.4612 7.6654 118.2418 53.7230 43.1979 176.7728 23 V 3.9221 7.3541 118.9852 64.2920 31.8157 174.7952 24 N 4.2464 9.0209 121.1794 54.5175 36.8527 173.6574 25 H 5.0237 7.7910 113.1809 53.6410 33.1396 173.1737 26 R 4.6400 8.4803 120.9307 56.4339 30.8937 175.6470 27 V 4.8945 8.9020 119.1294 59.4225 36.6081 174.7370 28 G 4.6311 9.3827 108.4449 43.7510 0.0000 172.0514 29 V 4.4563 9.1234 126.9776 61.3101 33.3933 174.2903 30 K 4.4750 8.3180 130.2001 54.8021 33.5989 176.1044 31 L 4.5225 7.8307 127.3949 53.8689 42.5721 177.4117 32 K 4.1713 8.6661 120.5305 58.9491 32.3590 178.2103 33 F 4.8235 6.9949 113.1810 56.3881 40.4494 176.4458 34 N 4.6822 10.0922 117.7945 53.4344 35.5448 176.5419 35 S 4.6364 8.0799 111.0887 58.2912 62.6915 174.3180 36 T 4.7539 7.6202 116.5527 63.2749 71.0136 175.1000 37 E 4.7927 8.9790 125.6348 54.7132 33.6544 173.4828 38 Y 5.2615 9.2122 124.7929 56.7813 40.3178 174.8870 39 R 5.0774 9.7535 122.0660 54.1239 34.3838 176.1242 40 G 3.8640 7.4712 108.0124 46.4945 0.0000 170.6796 41 T 4.8900 8.6358 116.6790 61.8903 70.6705 174.3335 42 L 4.2087 8.8685 129.5552 54.9519 42.5022 177.2165 43 V 3.7818 8.8310 128.2549 65.2444 31.6270 175.9677 44 S 4.7506 7.6225 112.5357 57.6727 67.0437 171.2972 45 T 5.0391 8.0969 114.0026 61.6195 70.5871 171.3908 46 D 4.8621 8.6054 121.1140 51.4171 42.6902 175.9887 47 N 4.3520 8.9609 116.9773 56.4477 38.3600 176.2094 48 Y 4.2461 8.8551 115.0198 58.0711 38.1674 176.3722 49 F 4.0735 8.4343 118.2281 58.2298 37.1325 173.9044 50 N 5.1137 7.7257 118.5337 52.7181 40.0825 174.2543 51 L 4.6527 8.4202 120.6475 54.6828 44.6818 174.2729 52 Q 4.3063 8.9659 123.0675 54.6492 30.3447 173.8497 53 L 4.9300 8.4697 129.8037 53.4978 44.0941 174.5401 54 N 5.1412 9.2657 124.3117 51.9853 42.1193 173.8345 55 E 3.8988 8.8046 122.1380 57.2390 27.7619 175.1921 56 A 4.5867 7.7625 119.7301 52.4291 20.1837 177.6366 57 E 4.9179 9.6994 122.1258 54.4448 33.2831 174.0162 58 E 4.8044 9.1185 128.3585 55.6840 31.5817 174.9234 59 F 5.1261 9.2727 124.9048 55.6855 43.0992 173.8361 60 V 4.4917 8.7513 124.0904 61.2132 33.1867 175.2267 61 A 3.7980 9.8279 131.0396 53.1796 16.6166 177.1805 62 G 3.9272 8.6141 104.0110 47.5096 0.0000 173.9896 63 V 4.4044 7.8134 119.2581 60.1178 33.6200 174.9307 64 S 3.5079 8.6339 122.1474 58.7461 62.5163 173.3944 65 H 4.7567 8.6277 125.8152 55.9057 29.4160 173.9506 66 G 3.7748 8.4246 107.3473 44.3356 0.0000 172.7047 67 T 4.9498 8.1358 114.5429 61.7638 71.4885 173.2547 68 L 4.6142 8.1538 126.3120 53.5661 44.0998 176.7012 69 G 3.9368 8.9084 111.9163 47.1632 0.0000 175.3205 70 E 5.0108 9.4120 119.7512 55.1504 31.0668 175.5644 71 I 4.7573 8.4095 124.3375 59.4393 41.5412 174.7875 72 F 4.9581 8.8459 122.3813 55.9593 40.9472 174.6935 73 I 4.3315 8.6342 125.4069 60.4428 39.2954 175.2974 74 R 4.6500 8.5600 126.2922 55.4047 31.8877 177.4692 75 S 4.3116 10.7700 120.0125 61.4215 62.9071 175.7140 76 N 4.2027 7.8461 118.0432 56.3653 38.8514 176.1347 77 N 4.6738 8.3503 113.8212 54.3414 38.8888 174.6739 78 V 4.2929 8.3775 120.5157 61.6640 32.5949 174.8869 79 L 4.3720 8.6691 131.0095 56.9674 42.3175 175.8288 80 Y 5.0220 7.0029 113.9781 56.2610 41.7095 172.3489 81 I 5.4450 8.7382 119.7331 59.6020 40.5640 175.2658 82 R 4.7983 8.9497 122.2884 54.2760 33.3580 173.7083 83 E 4.8018 8.5360 120.4259 54.8060 30.7600 175.4663 84 L 4.3499 9.1204 127.9862 53.1985 43.0968 176.6451 85 P 4.5395 0.0000 0.0000 63.4743 30.9055 176.0825 86 N 4.2847 8.2626 122.2644 54.5248 40.1104 174.2679 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 16 K 8.17 4.21 0.00 1.84 1.84 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.49 7.81 17 P 0.00 4.63 0.00 2.27 2.06 0.00 3.91 0.00 0.00 3.71 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 18 F 9.05 3.92 0.00 3.01 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 19 L 8.21 3.74 0.00 1.87 1.73 0.64 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.74 3.99 0.00 1.83 1.77 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.38 7.81 21 G 7.92 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 0.00 0.00 0.00 22 L 7.67 4.46 0.00 1.81 1.61 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.35 3.92 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 0.81 0.00 0.00 0.95 0.00 0.00 24 N 9.02 4.25 0.00 2.82 2.80 0.00 0.00 6.75 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.79 5.02 0.00 3.27 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.48 4.64 0.00 2.04 1.82 0.00 3.12 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 27 V 8.90 4.89 2.23 0.00 0.00 0.00 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 1.01 0.00 0.00 28 G 9.38 4.63 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 0.00 0.00 0.00 29 V 9.12 4.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.00 0.00 0.00 30 K 8.32 4.47 0.00 1.31 0.77 0.00 1.33 0.00 0.00 1.40 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.75 1.09 7.81 31 L 7.83 4.52 0.00 1.06 1.01 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.67 4.17 0.00 1.74 1.89 0.00 1.93 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.58 7.81 33 F 6.99 4.82 0.00 3.17 3.06 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 0.00 0.00 0.00 34 N 10.09 4.68 0.00 2.89 2.89 0.00 0.00 6.76 7.57 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 35 S 8.08 4.64 0.00 3.80 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 36 T 7.62 4.75 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 0.74 0.00 0.00 37 E 8.98 4.79 0.00 1.79 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 38 Y 9.21 5.26 0.00 3.04 2.87 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 39 R 9.75 5.08 0.00 1.85 1.79 0.00 2.27 0.00 0.00 2.76 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 40 G 7.47 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 0.00 0.00 0.00 41 T 8.64 4.89 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 L 8.87 4.21 0.00 1.74 1.70 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.83 3.78 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 0.82 0.00 0.00 0.85 0.00 0.00 44 S 7.62 4.75 0.00 3.88 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 45 T 8.10 5.04 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 1.19 0.00 0.00 46 D 8.61 4.86 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.96 4.35 0.00 2.91 3.03 0.00 0.00 6.84 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 48 Y 8.86 4.25 0.00 3.50 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 49 F 8.43 4.07 0.00 3.30 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.73 5.11 0.00 2.96 2.77 0.00 0.00 6.55 6.62 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 51 L 8.42 4.65 0.00 1.71 1.69 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.97 4.31 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 53 L 8.47 4.93 0.00 1.70 1.38 0.91 0.35 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 54 N 9.27 5.14 0.00 2.66 2.64 0.00 0.00 7.15 5.56 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 55 E 8.80 3.90 0.00 2.14 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 2.26 2.24 0.00 56 A 7.76 4.59 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.70 4.92 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.28 0.00 58 E 9.12 4.80 0.00 2.30 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 2.20 2.24 0.00 59 F 9.27 5.13 0.00 3.02 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 60 V 8.75 4.49 1.78 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 0.86 0.00 0.00 0.56 0.00 0.00 61 A 9.83 3.80 1.33 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 0.00 0.00 0.00 62 G 8.61 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 63 V 7.81 4.40 2.22 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 1.08 0.00 0.00 0.98 0.00 0.00 64 S 8.63 3.51 0.00 3.30 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.63 4.76 0.00 3.03 3.23 0.00 5.69 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 66 G 8.42 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.14 4.95 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 1.30 0.00 0.00 68 L 8.15 4.61 0.00 1.48 1.57 1.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.91 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 70 E 9.41 5.01 0.00 1.94 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 0.00 2.26 2.31 0.00 71 I 8.41 4.76 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.76 0.00 0.00 72 F 8.85 4.96 0.00 2.79 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.63 4.33 1.90 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 1.08 0.96 0.98 0.00 0.00 74 R 8.56 4.65 0.00 1.80 1.92 0.00 3.66 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 75 S 10.77 4.31 0.00 3.65 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 76 N 7.85 4.20 0.00 2.79 2.93 0.00 0.00 6.92 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.35 4.67 0.00 2.90 2.95 0.00 0.00 6.65 7.11 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 78 V 8.38 4.29 2.17 0.00 0.00 0.00 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 1.09 0.00 0.00 79 L 8.67 4.37 0.00 1.51 1.49 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.00 5.02 0.00 3.08 3.04 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 81 I 8.74 5.44 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.05 0.99 0.00 0.00 82 R 8.95 4.80 0.00 1.89 2.10 0.00 2.79 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 83 E 8.54 4.80 0.00 1.96 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 2.22 2.34 0.00 84 L 9.12 4.35 0.00 1.58 1.52 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.54 0.00 2.16 2.14 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 86 N 8.26 4.28 0.00 2.67 2.68 0.00 0.00 6.72 7.09 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