NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.5908 8.3027 120.3913 56.1188 30.0018 173.0636 6 S 3.8151 8.2142 121.3893 61.1639 62.9240 174.3368 7 L 4.3819 8.5391 120.3291 56.9783 43.0682 178.5921 8 Q 3.9208 8.3013 117.5865 58.9860 28.6434 178.5758 9 D 4.4061 7.8185 118.4040 57.1219 40.9114 177.0619 10 P 4.3795 0.0000 0.0000 65.6008 31.3949 178.0781 11 Y 3.9686 7.8983 117.8917 60.8252 38.7974 178.1881 12 L 3.7812 8.4049 120.2616 57.6075 41.5298 179.0240 13 N 4.5774 8.7504 117.4811 56.9320 38.7992 177.0728 14 T 3.8199 8.2003 117.4848 66.6873 68.5845 176.4738 15 L 3.8400 7.5845 120.7035 57.6801 41.6661 179.7762 16 R 4.1255 7.9371 119.7995 58.9576 29.9602 178.7126 17 K 3.9844 8.2969 117.1620 59.4286 32.1050 178.0192 18 E 4.1856 8.3423 115.7751 56.1721 29.7394 176.5092 19 R 3.8214 7.5994 116.6798 56.9702 28.0862 176.4854 20 V 3.7769 7.6589 118.0299 62.0841 32.2653 174.0440 21 P 4.6092 0.0000 0.0000 63.1236 32.4100 175.7340 22 V 4.9603 9.0271 116.5881 59.8076 36.6195 174.3740 23 S 5.1283 8.9735 118.7574 56.8922 65.7771 173.2579 24 I 4.8973 8.5941 125.0601 59.8248 39.8431 174.0909 25 Y 4.9174 9.0676 125.6221 56.8282 39.7167 175.6758 26 L 4.9145 9.0404 124.2026 53.5936 43.4322 178.4384 27 V 3.6483 8.7572 114.6523 63.9714 31.5088 177.2312 28 N 4.6975 8.2581 115.2578 52.4114 37.4407 175.8007 29 G 4.0786 8.4050 108.9353 45.3243 0.0000 174.4518 30 I 3.8929 7.9293 121.2566 61.3473 38.3926 174.8791 31 K 4.4900 8.4964 127.0629 54.7503 33.4819 175.2812 32 L 4.7086 8.7658 127.8455 53.5589 44.0289 175.6690 33 Q 4.8984 9.2252 119.3591 52.8695 32.6600 176.9309 34 G 4.1901 7.6492 109.7949 46.2197 0.0000 172.2324 35 Q 4.8400 8.2769 121.8779 54.0764 32.4028 174.6102 36 I 4.0815 8.2653 121.5559 61.8302 37.5754 176.2210 37 E 4.2493 9.3909 129.9708 58.5690 30.4399 175.8851 38 S 4.8280 7.8563 111.6779 58.3655 66.2513 173.4826 39 F 5.2362 7.8786 114.1618 56.1969 40.1854 172.7095 40 D 4.5484 8.8519 119.5211 52.3861 41.2268 175.6078 41 Q 3.6128 8.8620 117.8857 58.8068 29.2310 178.0322 42 F 4.9922 8.1245 114.2860 57.0865 41.5008 174.8841 43 V 5.0182 8.4797 112.8152 59.4819 36.3827 174.5133 44 I 4.8171 8.5774 122.4242 59.5167 40.8040 174.5577 45 L 4.8376 9.0887 129.5285 53.8388 43.4887 174.7823 46 L 5.0466 8.9808 130.2367 53.2549 44.0583 175.0203 47 K 4.6446 8.8084 128.7052 55.9523 33.8121 173.4127 48 N 4.7557 8.8208 127.9791 53.3547 45.7800 175.3891 49 T 3.9504 9.4466 120.5315 65.5514 67.6863 172.7433 50 V 4.4609 7.3602 111.6188 59.2527 35.4916 174.4276 51 S 4.8971 8.5052 117.2291 58.0528 63.0653 174.0698 52 Q 4.5931 8.8519 124.0269 54.7837 31.1009 174.2736 53 M 4.7923 8.4965 121.4239 54.3180 33.5978 174.9140 54 V 4.4027 8.7849 126.9444 61.2360 33.9996 174.4841 55 Y 4.5152 8.6573 125.7938 57.4127 38.8215 176.9081 56 K 4.0516 9.2612 124.9824 59.5078 32.4156 179.4362 57 T 3.8947 8.2744 107.8374 63.9881 68.7961 174.4765 58 A 4.5607 8.3602 123.8407 51.8186 19.4371 175.9173 59 I 4.7111 7.6198 118.1902 60.1504 38.8909 175.3829 60 S 4.7892 9.3058 120.0131 59.9657 64.3811 174.6026 61 T 4.7633 7.7705 109.5328 59.4834 72.3364 172.4963 62 V 4.7286 8.4814 123.2148 61.2603 33.8763 174.7080 63 V 4.4491 9.1627 128.6532 60.4327 33.4654 173.2022 64 P 4.8346 0.0000 0.0000 62.5671 31.6608 177.1174 65 S 4.5458 8.8188 116.7759 60.1604 63.6202 173.8799 66 R 4.6291 7.5514 115.2040 54.1191 32.0074 172.7133 67 P 4.4291 0.0000 0.0000 62.7118 31.8670 176.5083 68 V 4.5081 7.8463 113.9032 58.9028 34.9504 176.0041 69 R 4.1134 8.2371 118.2980 55.7793 29.9668 176.5879 70 L 4.1315 8.2191 119.7477 54.3723 42.3036 175.6704 71 P 4.4690 0.0000 0.0000 62.9020 31.3039 176.2948 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 5 H 8.30 4.59 0.00 3.23 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.21 3.82 0.00 3.89 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 7 L 8.54 4.38 0.00 1.74 1.66 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.30 3.92 0.00 1.60 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 9 D 7.82 4.41 0.00 2.83 2.88 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 10 P 0.00 4.38 0.00 2.22 2.15 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 11 Y 7.90 3.97 0.00 3.13 3.07 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 12 L 8.40 3.78 0.00 0.60 0.44 0.32 0.44 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 13 N 8.75 4.58 0.00 3.22 2.91 0.00 0.00 7.21 7.25 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 14 T 8.20 3.82 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 1.17 0.00 0.00 15 L 7.58 3.84 0.00 1.75 1.62 0.73 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.94 4.13 0.00 2.09 2.19 0.00 3.28 0.00 0.00 3.43 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 17 K 8.30 3.98 0.00 1.81 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 18 E 8.34 4.19 0.00 2.02 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 2.37 0.00 19 R 7.60 3.82 0.00 1.99 2.01 0.00 3.16 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 20 V 7.66 3.78 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.61 0.00 2.10 1.95 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.03 4.96 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 0.73 0.00 0.00 0.97 0.00 0.00 23 S 8.97 5.13 0.00 3.79 3.42 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 0.00 24 I 8.59 4.90 1.84 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 1.25 0.65 0.93 0.00 0.00 25 Y 9.07 4.92 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.04 4.91 0.00 1.76 1.72 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.76 3.65 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 0.68 0.00 0.00 0.96 0.00 0.00 28 N 8.26 4.70 0.00 2.82 2.92 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.40 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.89 1.98 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 1.12 0.57 0.89 0.00 0.00 31 K 8.50 4.49 0.00 1.49 1.53 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.97 0.34 7.81 32 L 8.77 4.71 0.00 1.51 1.50 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.23 4.90 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.16 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 34 G 7.65 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.28 4.84 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 36 I 8.27 4.08 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.31 1.00 0.00 0.00 37 E 9.39 4.25 0.00 1.92 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 0.00 2.29 2.30 0.00 38 S 7.86 4.83 0.00 3.80 3.89 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 39 F 7.88 5.24 0.00 3.26 2.99 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 0.00 0.00 0.00 40 D 8.85 4.55 0.00 2.82 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 41 Q 8.86 3.61 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 42 F 8.12 4.99 0.00 3.00 3.11 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 43 V 8.48 5.02 1.93 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 0.25 0.00 0.00 0.92 0.00 0.00 44 I 8.58 4.82 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.93 0.00 0.00 45 L 9.09 4.84 0.00 1.67 1.67 0.92 0.22 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 46 L 8.98 5.05 0.00 1.74 1.50 0.96 0.38 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 47 K 8.81 4.64 0.00 1.88 1.65 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 48 N 8.82 4.76 0.00 2.74 1.97 0.00 0.00 6.93 6.83 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 49 T 9.45 3.95 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 1.20 0.00 0.00 50 V 7.36 4.46 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 51 S 8.51 4.90 0.00 3.75 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.85 4.59 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 53 M 8.50 4.79 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.15 0.00 54 V 8.78 4.40 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 55 Y 8.66 4.52 0.00 3.13 2.96 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 56 K 9.26 4.05 0.00 1.99 1.92 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.53 7.81 57 T 8.27 3.89 4.28 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 0.00 0.00 0.00 1.30 0.00 0.00 58 A 8.36 4.56 1.42 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 0.00 0.00 0.00 59 I 7.62 4.71 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 1.01 0.00 0.00 60 S 9.31 4.79 0.00 3.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.77 4.76 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 1.17 0.00 0.00 62 V 8.48 4.73 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 0.93 0.00 0.00 0.96 0.00 0.00 63 V 9.16 4.45 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 1.09 0.00 0.00 1.09 0.00 0.00 64 P 0.00 4.83 0.00 2.13 1.90 0.00 3.82 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 65 S 8.82 4.55 0.00 3.88 4.05 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 0.00 0.00 0.00 0.00 66 R 7.55 4.63 0.00 1.88 1.90 0.00 3.03 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 67 P 0.00 4.43 0.00 2.06 2.03 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 68 V 7.85 4.51 1.93 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 0.69 0.00 0.00 0.78 0.00 0.00 69 R 8.24 4.11 0.00 1.91 1.92 0.00 3.03 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 70 L 8.22 4.13 0.00 1.67 1.67 0.93 1.06 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 71 P 0.00 4.47 0.00 2.11 2.00 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00