NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3567 0.0000 0.0000 62.3931 32.9295 175.2583 4 R 4.4403 8.4757 117.7115 53.0713 31.9016 174.3263 5 P 4.0264 0.0000 0.0000 66.2873 32.1786 179.8327 6 L 3.8020 7.8626 117.0820 57.7146 41.6031 179.4117 7 D 4.3579 8.0993 119.2946 57.2481 40.5017 178.8363 8 V 3.5790 7.3286 117.7171 65.8854 31.8222 177.7591 9 L 3.9341 7.5589 118.3276 57.6770 41.2402 178.8540 10 N 4.6502 7.8924 116.9493 56.5735 38.6771 176.3450 11 R 4.4265 7.6781 116.3389 56.6362 30.4028 176.9987 12 S 4.6923 7.8579 114.5945 57.8052 64.8182 174.3009 13 L 4.4211 7.4003 120.7414 56.3021 41.7611 177.6591 14 K 3.9222 8.9902 119.8399 56.9925 30.7536 175.6172 15 S 5.0344 7.8104 115.2038 55.7303 66.7765 171.7388 16 P 5.0508 0.0000 0.0000 63.3043 32.5795 175.3695 17 V 5.1218 8.4315 113.4306 60.6995 37.3673 173.1899 18 I 4.9536 8.8829 121.5490 59.9033 40.4766 175.1752 19 V 4.4950 8.6826 128.1960 61.1980 33.2779 174.3091 20 R 4.4170 7.8169 129.3592 55.1302 31.3154 175.4507 21 L 5.0686 8.5532 126.2254 52.7080 44.8746 175.8827 22 K 4.0351 8.4180 121.1963 57.3242 31.8496 177.3469 23 G 3.8999 9.8777 112.4511 44.8656 0.0000 173.6240 24 G 4.1204 7.9279 107.9127 45.7297 0.0000 174.8510 25 R 4.3307 7.8610 117.5699 56.8590 31.4912 175.5082 26 E 5.1147 8.6617 120.4670 54.8315 33.7653 173.9793 27 F 5.2228 9.2170 122.9682 55.9175 43.5135 174.4361 28 R 5.1171 8.0101 118.9639 54.2726 34.7280 175.0991 29 G 4.0351 8.1650 109.1089 46.5932 0.0000 171.1257 30 T 4.8215 8.2696 117.4622 62.5514 69.8432 174.5507 31 L 4.4133 9.1764 129.9668 55.6869 42.4020 176.4019 32 D 4.7341 9.4569 127.5113 54.8380 43.1436 175.6074 33 G 4.1816 7.5199 103.7112 46.1412 0.0000 171.4341 34 Y 5.8369 7.8128 116.1240 57.5756 40.3826 172.4541 35 D 4.7876 8.2081 118.9979 51.4424 42.7228 175.8414 36 I 3.9805 8.3180 110.9231 62.9087 37.5054 176.0782 37 H 4.6056 9.2964 118.7253 55.7730 29.3243 175.3653 38 M 3.3779 8.3945 118.9959 56.2865 31.0213 175.6198 39 N 4.9408 8.2698 113.2435 52.8157 40.2344 174.0708 40 L 5.4255 8.9260 120.8387 53.1152 46.9836 175.6936 41 V 4.7588 8.5734 119.3718 61.4674 34.6214 174.0881 42 L 5.2169 8.6322 127.6745 52.9568 44.9818 175.4619 43 L 5.0628 8.9457 121.7475 53.4047 44.8223 176.1193 44 D 4.3564 8.1720 120.8753 55.4739 38.9474 172.7892 45 A 5.5806 7.8069 120.7038 50.1802 22.5979 177.3317 46 E 5.0659 8.5272 117.3127 54.5572 34.0210 174.6138 47 E 3.5566 8.8780 125.6756 55.0092 31.1942 174.7596 48 I 4.8213 8.5113 128.3020 59.7916 40.0205 175.0525 49 Q 4.1093 9.0764 127.7369 54.6924 31.6433 174.3185 50 N 4.0353 9.4868 126.7505 54.5265 35.7167 175.8060 51 G 3.9626 8.4720 103.9765 45.4675 0.0000 173.2424 52 E 4.6306 7.7033 118.9483 54.3655 32.7866 175.7231 53 V 4.4953 7.8576 121.8317 61.6485 30.2939 176.5165 54 V 3.8679 8.2102 118.4829 62.3151 31.9144 176.0840 55 R 4.4261 7.0500 118.0994 55.5622 34.2258 173.0010 56 K 5.0876 8.8465 123.7537 54.7747 35.0592 175.9423 57 V 4.5355 8.7122 117.2830 59.4649 35.7445 177.0014 58 G 3.8510 8.9553 110.9255 49.1612 0.0000 173.1354 59 S 5.6597 7.7179 111.3985 58.9335 65.5531 175.3122 60 V 4.4300 7.9266 112.8501 60.2272 36.1666 173.1021 61 V 4.5818 8.2866 124.2026 61.3794 33.0866 174.5610 62 I 4.3910 8.3077 129.3076 59.3790 39.5645 175.5718 63 R 4.4205 8.5678 126.3427 55.7020 30.7850 177.3388 64 G 4.1148 9.4249 112.9575 47.5248 0.0000 174.6143 65 D 4.3652 8.2891 118.0531 57.4570 41.2660 177.7169 66 T 4.1335 8.2223 115.0979 65.0851 68.9398 174.9167 67 V 3.9180 7.7693 122.5659 62.8956 32.1250 175.3213 68 V 4.1783 8.4330 128.2399 64.4292 32.1890 175.6127 69 F 4.9302 7.0466 112.4926 56.0938 40.7633 172.4612 70 V 5.1651 8.6642 119.3829 61.2501 34.4591 174.6732 71 S 4.7893 9.0066 121.5299 55.7700 66.2058 171.5017 72 P 4.6610 0.0000 0.0000 62.5622 31.7555 176.1858 73 A 4.2702 8.4902 125.5827 52.3048 18.9748 175.6540 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 3 P 0.00 4.36 0.00 2.05 2.04 0.00 3.59 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 1.92 2.07 0.00 4 R 8.48 4.44 0.00 1.95 2.02 0.00 2.81 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.94 0.00 5 P 0.00 4.03 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 6 L 7.86 3.80 0.00 1.74 1.78 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.10 4.36 0.00 2.88 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 8 V 7.33 3.58 2.14 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 0.80 0.00 0.00 0.95 0.00 0.00 9 L 7.56 3.93 0.00 0.92 0.76 0.51 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.89 4.65 0.00 3.10 3.04 0.00 0.00 7.23 7.65 0.00 0.00 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 R 7.68 4.43 0.00 1.83 1.94 0.00 3.16 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 12 S 7.86 4.69 0.00 4.05 3.84 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 13 L 7.40 4.42 0.00 1.65 1.67 1.01 1.02 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 14 K 8.99 3.92 0.00 1.91 1.96 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.55 7.81 15 S 7.81 5.03 0.00 4.01 3.75 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 16 P 0.00 5.05 0.00 2.14 2.19 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 17 V 8.43 5.12 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 0.83 0.00 0.00 1.01 0.00 0.00 18 I 8.88 4.95 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.99 0.00 0.00 19 V 8.68 4.49 2.14 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 0.97 0.00 0.00 0.94 0.00 0.00 20 R 7.82 4.42 0.00 1.19 0.66 0.00 3.19 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.41 0.00 21 L 8.55 5.07 0.00 1.62 1.55 1.13 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.42 4.04 0.00 1.64 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 23 G 9.88 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.93 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 4.33 0.00 1.78 1.82 0.00 3.07 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 26 E 8.66 5.11 0.00 1.96 1.64 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 2.18 2.30 0.00 27 F 9.22 5.22 0.00 3.03 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 28 R 8.01 5.12 0.00 1.71 1.80 0.00 3.22 0.00 0.00 3.28 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 29 G 8.16 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 30 T 8.27 4.82 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 1.26 0.00 0.00 31 L 9.18 4.41 0.00 1.77 1.75 1.00 0.95 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 32 D 9.46 4.73 0.00 2.61 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 33 G 7.52 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 0.00 0.00 0.00 0.00 34 Y 7.81 5.84 0.00 2.98 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 35 D 8.21 4.79 0.00 2.83 2.74 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 0.00 0.00 0.00 0.00 36 I 8.32 3.98 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.32 0.93 0.00 0.00 37 H 9.30 4.61 0.00 3.34 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.39 3.38 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 39 N 8.27 4.94 0.00 2.88 2.72 0.00 0.00 6.76 6.74 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 40 L 8.93 5.43 0.00 1.49 1.52 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.57 4.76 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 0.95 0.00 0.00 0.90 0.00 0.00 42 L 8.63 5.22 0.00 1.55 1.52 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.95 5.06 0.00 1.52 1.53 0.99 1.20 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 44 D 8.17 4.36 0.00 2.77 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 45 A 7.81 5.58 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 5.07 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 47 E 8.88 3.56 0.00 1.38 1.53 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 1.89 1.47 0.00 48 I 8.51 4.82 1.77 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 1.06 0.68 0.86 0.00 0.00 49 Q 9.08 4.11 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.34 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 50 N 9.49 4.04 0.00 2.89 2.87 0.00 0.00 7.25 7.65 0.00 0.00 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 G 8.47 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.70 4.63 0.00 2.06 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 0.00 2.19 2.17 0.00 53 V 7.86 4.50 2.05 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 1.02 0.00 0.00 0.90 0.00 0.00 54 V 8.21 3.87 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 0.61 0.00 0.00 0.92 0.00 0.00 55 R 7.05 4.43 0.00 1.95 1.68 0.00 3.07 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 56 K 8.85 5.09 0.00 1.64 1.69 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 57 V 8.71 4.54 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 0.86 0.00 0.00 1.15 0.00 0.00 58 G 8.96 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 59 S 7.72 5.66 0.00 3.81 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 60 V 7.93 4.43 1.73 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 0.55 0.00 0.00 0.61 0.00 0.00 61 V 8.29 4.58 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 0.77 0.00 0.00 0.89 0.00 0.00 62 I 8.31 4.39 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.26 0.84 0.00 0.00 63 R 8.57 4.42 0.00 1.82 1.85 0.00 3.30 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 64 G 9.42 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.29 4.37 0.00 2.64 2.74 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 0.00 0.00 0.00 0.00 66 T 8.22 4.13 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 1.22 0.00 0.00 67 V 7.77 3.92 2.18 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 0.72 0.00 0.00 0.96 0.00 0.00 68 V 8.43 4.18 1.89 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 0.94 0.00 0.00 0.91 0.00 0.00 69 F 7.05 4.93 0.00 3.08 3.10 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 70 V 8.66 5.17 2.12 0.00 0.00 0.00 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 0.94 0.00 0.00 71 S 9.01 4.79 0.00 3.93 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 72 P 0.00 4.66 0.00 1.96 2.05 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 73 A 8.49 4.27 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00