NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.0279 8.1200 121.1855 56.7080 33.9410 177.1812 3 L 3.7545 7.9846 119.8499 56.8054 41.7908 177.5726 4 S 4.1448 8.8063 115.0383 61.2859 63.5873 175.1572 5 E 3.9310 8.2904 121.8381 60.1784 29.2083 178.6758 6 V 3.5712 8.0385 117.6070 65.3793 31.1904 178.1463 7 R 3.8671 8.0307 116.3953 60.0592 30.2520 178.1284 8 K 3.9265 8.8486 117.3707 60.0247 31.8581 179.4582 9 Q 3.7140 8.4455 116.7180 59.6073 28.7413 179.5963 10 L 3.6875 8.2835 116.8771 58.3983 41.6615 179.3031 11 E 4.2657 8.0744 117.5069 60.2910 29.5867 179.2959 12 E 3.8776 7.8673 119.2061 58.8527 29.9550 179.2461 13 A 4.1310 8.7849 120.8818 55.2245 18.2061 179.5795 14 R 3.9392 8.6902 116.7813 59.2073 30.3437 179.4062 15 K 4.4731 7.8699 116.5719 57.4955 33.5042 177.2101 16 L 4.5899 7.2969 116.8429 54.4362 42.5631 176.9873 17 S 3.5131 8.2519 115.1168 57.2355 62.7717 170.8085 18 P 4.2765 0.0000 0.0000 65.7440 29.6501 178.4549 19 V 3.5561 7.7964 118.3760 65.3922 31.4083 177.6935 20 E 3.7522 7.7731 118.6293 58.9827 29.5380 178.3061 21 L 3.9378 7.5667 117.8762 58.1562 41.8496 179.2735 22 E 3.9548 8.2948 117.6047 59.8280 29.4855 179.3587 23 K 3.8617 7.4972 117.9834 59.6414 32.2458 178.8725 24 L 3.9422 8.0989 120.2993 58.4513 41.7427 179.4690 25 V 3.5312 8.4424 118.4950 66.0547 31.5888 177.9646 26 R 3.7541 8.0791 117.7227 59.5540 29.9319 179.0343 27 E 3.9282 8.1407 117.8505 59.2367 29.5498 179.2828 28 K 3.9103 7.8345 118.3292 59.8139 32.0838 178.8597 29 K 3.7645 8.7568 118.8061 59.7540 31.9890 178.7002 30 R 3.8613 8.0992 118.2114 60.0113 30.0465 178.1547 31 E 3.9422 8.1952 117.8591 59.5452 29.4627 179.3569 32 L 3.9228 7.9089 119.9781 58.4681 42.2893 178.2631 33 M 4.0400 8.2610 118.3664 58.9222 31.6810 177.5118 34 E 3.8662 8.9243 119.6181 59.2914 29.5638 179.1161 35 L 4.0429 7.8630 120.4834 57.9529 42.1692 178.5655 36 R 4.2404 8.2923 113.2481 58.1384 29.7555 177.9281 37 F 4.1183 8.3040 119.7462 60.1209 37.6538 177.2339 38 Q 4.2567 8.3924 116.1623 58.3359 28.4106 178.2178 39 A 4.5197 8.0279 124.3181 54.5275 18.5778 179.3392 40 S 4.2671 8.0792 113.2908 61.2037 63.0978 176.0226 41 I 4.0981 7.0240 112.4071 61.1169 37.3814 176.3891 42 G 3.7145 8.0979 111.7902 46.6059 0.0000 174.8478 43 Q 4.2489 8.3140 121.5249 54.2040 28.9509 177.7197 44 L 5.0646 7.0399 116.5157 53.4887 44.2756 174.7563 45 S 4.6279 6.7052 111.1479 58.2009 66.3207 176.3866 46 Q 4.5958 8.1448 120.0794 58.2756 30.0637 178.6618 47 N 3.5292 8.2959 114.2866 53.0389 41.0519 176.6046 48 H 4.1631 8.6987 123.7581 59.3550 29.0075 176.7855 49 K 3.9941 7.9100 119.6421 58.7251 31.7347 177.5103 50 I 4.2364 8.3665 120.7311 62.3114 37.8335 177.2524 51 R 4.0426 7.8392 118.2229 58.9380 29.3490 177.9153 52 D 4.3716 7.8100 118.3676 56.7337 41.7508 177.9233 53 L 4.0555 7.4470 119.2183 57.4862 41.9960 179.0984 54 K 3.9627 8.6531 119.2254 59.7090 32.2699 179.5156 55 R 3.9765 7.5910 117.6380 58.9782 29.6594 178.9364 56 Q 4.0575 7.8270 118.8799 60.0919 29.3218 177.6745 57 I 3.3660 8.5892 118.9607 63.2594 37.0009 180.7668 58 A 3.0643 8.8369 114.9989 51.0826 20.5558 178.8409 59 R 3.8193 6.0867 116.3025 58.3674 29.9752 178.8360 60 L 4.0804 8.7846 120.7560 57.6848 41.7663 179.0783 61 L 4.2622 8.0801 117.7959 57.5868 40.6911 178.7784 62 T 3.9909 7.5806 117.1518 66.4105 68.6993 176.7011 63 V 3.7037 8.5720 121.0362 65.3541 31.4448 177.9955 64 L 3.9403 7.9815 120.4098 58.2000 41.7690 178.4565 65 N 4.2169 7.9734 115.4891 56.3133 38.5331 176.9359 66 E 4.1049 7.7917 117.4140 59.3773 30.0250 179.0766 67 K 4.1158 8.0587 119.9108 58.9203 31.9861 179.2268 68 R 4.0778 8.3281 114.9366 58.5878 30.0851 177.0480 69 R 4.2870 8.7868 115.7732 56.3603 32.0550 176.4688 70 Q 4.4777 7.7144 122.2672 54.8750 28.9267 174.7618 71 N 4.9402 7.6201 114.4508 54.5781 45.7800 175.2117 72 A 4.2771 7.8197 124.3115 52.2378 19.4270 175.3661 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 2 K 8.12 5.03 0.00 1.86 1.87 0.00 1.65 0.00 0.00 2.02 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 L 7.98 3.75 0.00 1.80 1.67 0.92 0.57 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 4 S 8.81 4.14 0.00 4.09 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 5 E 8.29 3.93 0.00 2.21 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 2.41 2.40 0.00 6 V 8.04 3.57 2.38 0.00 0.00 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 0.98 0.00 0.00 7 R 8.03 3.87 0.00 2.12 1.98 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 8 K 8.85 3.93 0.00 1.92 1.78 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.81 1.66 7.81 9 Q 8.45 3.71 0.00 2.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 10 L 8.28 3.69 0.00 1.89 1.60 0.92 1.08 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 11 E 8.07 4.27 0.00 2.16 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 0.00 2.69 2.41 0.00 12 E 7.87 3.88 0.00 2.09 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 0.00 2.36 2.50 0.00 13 A 8.78 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 3.94 0.00 1.82 2.03 0.00 3.33 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 15 K 7.87 4.47 0.00 1.93 1.90 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.56 7.81 16 L 7.30 4.59 0.00 1.66 1.66 0.92 1.30 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 17 S 8.25 3.51 0.00 4.09 3.91 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 18 P 0.00 4.28 0.00 2.28 2.30 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 19 V 7.80 3.56 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 1.02 0.00 0.00 0.93 0.00 0.00 20 E 7.77 3.75 0.00 2.22 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 2.30 2.39 0.00 21 L 7.57 3.94 0.00 1.88 1.74 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.29 3.95 0.00 2.00 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 2.41 2.60 0.00 23 K 7.50 3.86 0.00 2.35 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 24 L 8.10 3.94 0.00 1.72 1.69 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.44 3.53 2.30 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 0.98 0.00 0.00 0.95 0.00 0.00 26 R 8.08 3.75 0.00 1.90 1.99 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 27 E 8.14 3.93 0.00 2.21 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 2.32 2.45 0.00 28 K 7.83 3.91 0.00 2.01 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.71 1.58 7.81 29 K 8.76 3.76 0.00 1.92 1.86 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.63 7.81 30 R 8.10 3.86 0.00 1.87 2.12 0.00 3.09 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 31 E 8.20 3.94 0.00 2.26 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 2.33 2.48 0.00 32 L 7.91 3.92 0.00 1.80 1.94 0.93 0.71 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 33 M 8.26 4.04 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.77 0.00 34 E 8.92 3.87 0.00 2.07 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 0.00 2.29 2.38 0.00 35 L 7.86 4.04 0.00 2.10 1.74 0.91 0.90 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 36 R 8.29 4.24 0.00 1.96 2.06 0.00 3.12 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.71 0.00 37 F 8.30 4.12 0.00 3.43 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 38 Q 8.39 4.26 0.00 2.35 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.75 0.00 39 A 8.03 4.52 1.32 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 0.00 0.00 40 S 8.08 4.27 0.00 4.00 4.16 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 41 I 7.02 4.10 1.89 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 1.56 0.61 1.00 0.00 0.00 42 G 8.10 3.71 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 0.00 43 Q 8.31 4.25 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 44 L 7.04 5.06 0.00 1.81 1.62 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 S 6.71 4.63 0.00 3.95 3.91 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 46 Q 8.14 4.60 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.04 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 47 N 8.30 3.53 0.00 2.88 3.02 0.00 0.00 6.70 8.16 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 48 H 8.70 4.16 0.00 3.36 3.55 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.91 3.99 0.00 1.76 1.84 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.57 7.81 50 I 8.37 4.24 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 1.59 0.80 0.92 0.00 0.00 51 R 7.84 4.04 0.00 2.03 2.22 0.00 2.97 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 52 D 7.81 4.37 0.00 3.05 2.65 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 0.00 0.00 0.00 0.00 53 L 7.45 4.06 0.00 2.03 1.63 0.97 0.64 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 54 K 8.65 3.96 0.00 1.91 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 55 R 7.59 3.98 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 56 Q 7.83 4.06 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 57 I 8.59 3.37 2.10 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 1.72 1.04 0.91 0.00 0.00 58 A 8.84 3.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.09 3.82 0.00 2.12 2.25 0.00 2.79 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 60 L 8.78 4.08 0.00 1.87 1.77 0.97 0.47 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 61 L 8.08 4.26 0.00 1.87 1.91 0.92 0.73 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 62 T 7.58 3.99 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 1.21 0.00 0.00 63 V 8.57 3.70 2.27 0.00 0.00 0.00 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 0.97 0.00 0.00 64 L 7.98 3.94 0.00 1.89 1.72 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.97 4.22 0.00 2.95 2.88 0.00 0.00 7.13 7.17 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 66 E 7.79 4.10 0.00 2.11 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 0.00 2.37 2.35 0.00 67 K 8.06 4.12 0.00 1.92 1.90 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.74 1.59 7.81 68 R 8.33 4.08 0.00 1.89 1.96 0.00 3.24 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 1.65 1.69 0.00 69 R 8.79 4.29 0.00 1.99 1.78 0.00 3.20 0.00 0.00 3.27 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.89 0.00 70 Q 7.71 4.48 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 71 N 7.62 4.94 0.00 2.92 2.83 0.00 0.00 6.92 7.35 0.00 0.00 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 A 7.82 4.28 1.18 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