NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.5929 8.3649 120.1932 53.6520 41.2824 174.6394 12 L 3.9773 8.2190 126.9623 52.3811 42.3951 176.8606 13 S 4.5275 8.6304 118.6240 57.6672 66.4676 174.7134 14 F 4.2796 8.7331 122.3973 61.6274 38.9997 176.7098 15 E 3.8091 8.1764 117.7130 59.1890 29.3260 179.0606 16 Q 3.9713 8.2084 118.0773 59.1927 28.9761 178.6738 17 E 3.9263 8.5605 119.9063 59.3997 29.3047 179.3138 18 F 4.1338 7.8495 120.1300 61.4638 39.3506 177.3115 19 Q 3.6473 8.2173 117.7521 58.7498 28.3390 178.2118 20 M 3.9259 8.1322 120.2055 58.7451 31.9173 178.9457 21 R 3.7984 7.6173 117.2671 59.2779 30.2177 179.3758 22 V 3.4209 7.0429 117.9066 66.1313 31.4108 178.0279 23 M 4.1975 8.7185 119.5173 58.3427 31.5546 178.6507 24 E 3.9174 8.2753 119.2119 59.2457 29.3936 178.9273 25 E 3.9225 7.7162 118.3901 59.1288 29.8914 178.7272 26 Q 4.0636 8.1122 118.1064 59.0858 28.9152 178.5983 27 V 3.5780 7.9688 119.6915 66.0480 31.2853 177.4381 28 S 4.4356 7.7401 110.6809 59.2227 63.1084 174.2438 29 A 4.6176 7.7397 124.2122 52.0220 19.5993 175.9088 30 M 4.2859 7.7239 117.2782 55.1130 33.2095 176.9074 31 S 4.4827 8.2844 120.0833 57.6304 65.6550 175.0726 32 L 3.9673 8.3416 123.6013 58.5647 41.7075 178.6345 33 Q 3.9678 8.0913 117.5272 58.9419 28.5904 178.0336 34 E 3.8618 8.4610 119.4762 59.5154 29.9126 178.7632 35 A 3.9826 8.5421 120.7398 55.4560 18.4286 179.8441 36 R 3.9033 8.3776 118.8658 60.1378 30.0993 179.3912 37 E 3.9564 8.3324 118.1362 61.5754 29.6663 181.0687 38 L 4.1487 8.3577 120.0248 57.4102 41.5729 179.6422 39 L 3.9894 7.7533 120.1810 57.8954 42.0114 179.0802 40 L 3.9295 7.8830 118.9551 57.8415 41.6725 178.9973 41 Q 3.9417 8.2823 119.4757 59.2927 28.9237 178.3557 42 A 3.9982 8.3819 121.9663 55.4875 17.9515 179.8843 43 S 4.1451 8.2836 113.6186 61.3036 62.7431 177.0413 44 R 3.8975 7.9687 121.8122 59.3954 29.9190 178.4051 45 L 3.9777 7.9387 118.8027 57.7056 41.5422 179.4540 46 L 3.9570 7.9125 118.8543 58.2222 41.6470 179.4802 47 M 4.0784 7.6921 117.6960 58.6737 31.7969 178.7528 48 M 4.0723 8.1559 118.8100 58.4528 32.1313 179.0374 49 K 3.9843 8.6031 118.9297 59.5546 32.1117 179.2114 50 D 4.4701 8.6077 119.6423 57.2000 40.6639 178.6853 51 N 4.3063 8.1794 117.1758 56.3204 38.7131 177.4613 52 V 3.6089 7.9789 119.8078 66.2432 31.5693 178.1734 53 I 3.7615 8.2350 119.9047 64.2638 36.7037 178.3059 54 R 3.9307 8.0401 119.0914 60.2341 30.1608 177.9304 55 S 4.1735 8.6148 115.4513 60.0496 62.5131 176.6111 56 L 3.8573 8.1642 120.9775 58.1232 41.5529 180.1820 57 V 3.5630 7.6968 117.1571 65.8451 31.3883 177.5157 58 K 3.9923 8.6871 122.2015 59.5092 32.8939 177.2623 59 R 4.5053 7.5051 118.3485 55.1243 27.4553 180.1395 60 A 4.5766 7.6268 120.3339 51.6101 20.5421 177.6170 61 A 4.3033 7.3883 119.5108 51.0622 17.1932 178.1765 62 R 4.1563 8.0755 118.9685 57.6764 31.1453 174.7305 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 11 D 8.36 4.59 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.98 0.00 1.85 1.61 0.93 0.66 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 13 S 8.63 4.53 0.00 4.13 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 14 F 8.73 4.28 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.18 3.81 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 16 Q 8.21 3.97 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 17 E 8.56 3.93 0.00 2.02 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 0.00 2.47 2.52 0.00 18 F 7.85 4.13 0.00 2.74 3.05 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 19 Q 8.22 3.65 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.49 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 20 M 8.13 3.93 0.00 1.96 2.27 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 2.60 2.72 0.00 21 R 7.62 3.80 0.00 1.87 1.75 0.00 3.14 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 22 V 7.04 3.42 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 0.91 0.00 0.00 0.39 0.00 0.00 23 M 8.72 4.20 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 24 E 8.28 3.92 0.00 2.12 1.95 0.00 0.00 0.00 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 2.50 0.00 25 E 7.72 3.92 0.00 1.84 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 2.29 2.36 0.00 26 Q 8.11 4.06 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 27 V 7.97 3.58 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 1.03 0.00 0.00 0.96 0.00 0.00 28 S 7.74 4.44 0.00 4.00 4.03 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 0.00 0.00 0.00 29 A 7.74 4.62 1.28 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 0.00 0.00 0.00 30 M 7.72 4.29 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 31 S 8.28 4.48 0.00 4.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.34 3.97 0.00 1.77 1.70 0.91 0.86 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 33 Q 8.09 3.97 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 34 E 8.46 3.86 0.00 2.03 1.94 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 2.30 2.34 0.00 35 A 8.54 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 3.90 0.00 2.11 1.98 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 37 E 8.33 3.96 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 38 L 8.36 4.15 0.00 1.84 1.74 0.91 0.50 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 39 L 7.75 3.99 0.00 2.04 1.78 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.88 3.93 0.00 1.93 1.69 0.92 0.60 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 41 Q 8.28 3.94 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 42 A 8.38 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.15 0.00 3.97 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 0.00 44 R 7.97 3.90 0.00 1.89 2.11 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 45 L 7.94 3.98 0.00 1.93 1.70 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.91 3.96 0.00 1.86 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 M 7.69 4.08 0.00 2.08 2.26 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 2.62 2.58 0.00 48 M 8.16 4.07 0.00 2.06 2.25 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 2.78 2.58 0.00 49 K 8.60 3.98 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 50 D 8.61 4.47 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.31 0.00 2.97 2.86 0.00 0.00 6.56 7.01 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 52 V 7.98 3.61 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 1.03 0.00 0.00 0.98 0.00 0.00 53 I 8.24 3.76 2.00 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 0.82 0.91 0.00 0.00 54 R 8.04 3.93 0.00 2.02 2.12 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 55 S 8.61 4.17 0.00 4.12 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 56 L 8.16 3.86 0.00 1.92 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.70 3.56 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 0.79 0.00 0.00 0.96 0.00 0.00 58 K 8.69 3.99 0.00 1.96 2.02 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.53 7.81 59 R 7.51 4.51 0.00 1.83 1.74 0.00 3.27 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 60 A 7.63 4.58 1.30 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 61 A 7.39 4.30 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.08 4.16 0.00 1.81 1.82 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00