NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0912 8.3101 121.7854 55.1681 33.9983 174.4848 20 A 4.4700 7.6659 130.0417 51.5396 19.1140 173.7240 21 K 4.1538 8.0349 120.9491 56.7815 33.1407 177.2106 22 V 3.5741 8.2568 124.3594 64.2086 31.7094 177.9750 23 K 3.9235 7.9915 119.8253 59.7168 32.4421 177.6113 24 A 4.2231 8.2011 121.8882 55.3213 18.2150 179.9749 25 T 4.2275 7.3537 110.0937 63.4651 67.6085 173.6676 26 L 4.4220 8.3706 120.8498 54.2759 46.8091 175.3600 27 G 4.2518 8.1918 109.1483 45.1247 0.0000 174.9298 28 E 4.1401 8.9677 122.6742 56.6362 28.1734 175.4886 29 F 4.8695 8.0707 117.4613 54.5885 40.7390 175.4119 30 D 4.4110 8.5474 124.0371 53.1892 39.7154 176.2166 31 L 4.6200 7.7897 126.8985 55.8828 40.1876 178.0972 32 R 4.3854 8.0216 120.3781 57.1034 31.7127 175.2383 33 D 4.2900 7.5679 117.9905 54.0345 41.3936 175.4734 34 Y 4.8470 7.2846 126.0836 57.2119 38.9423 176.7678 35 R 4.4481 7.9402 118.9619 58.8669 34.0646 176.8908 36 N 4.6810 8.2032 115.3853 54.8377 34.0130 175.6298 37 V 3.0017 6.4933 110.1133 63.4536 33.3665 178.2869 38 E 4.1713 8.1911 126.1845 60.3050 30.1071 179.1630 39 V 3.6818 8.3323 119.3324 65.2835 31.5245 177.8294 40 L 3.7340 7.7913 117.5837 58.1569 41.6984 179.6557 41 K 4.0425 9.2440 119.9320 59.4746 31.8578 177.1525 42 R 4.4726 7.6966 116.0104 56.4070 28.9266 176.2193 43 F 4.6347 8.9889 114.5980 57.1964 40.4483 175.7272 44 L 5.6386 7.5728 120.7494 57.1639 41.7561 177.4778 45 S 3.7201 7.2547 116.5822 58.7143 66.1872 173.5984 46 E 4.7640 8.6272 121.2582 56.1454 31.1155 175.5725 47 T 5.4036 8.0896 105.2273 60.7483 70.7485 173.8749 48 G 4.0774 9.0484 111.1581 46.2569 0.0000 174.6113 49 K 3.9354 7.7616 117.8112 56.4575 33.4298 176.4180 50 I 4.5691 8.6638 123.0167 64.7993 35.7997 176.9608 51 L 3.4368 7.5202 118.0266 52.4234 39.7887 175.4274 52 P 4.3616 0.0000 0.0000 62.6574 31.4679 176.7915 53 R 4.5157 8.3294 116.0515 58.3038 30.0891 177.8178 54 R 4.2168 8.0137 114.9487 57.8602 30.4327 177.0269 55 R 4.4071 7.8232 115.8719 57.4609 33.0537 176.7671 56 T 3.9682 8.0383 105.6059 61.7896 69.1246 175.3746 57 G 4.2719 7.7611 109.8597 46.6641 0.0000 174.3700 58 L 4.5302 7.4393 122.4188 53.6564 43.7250 176.4617 59 S 4.6885 8.1228 112.9714 56.7149 65.1397 174.8652 60 A 4.0951 8.3468 124.8581 55.2811 17.4993 179.7323 61 K 3.9117 7.9765 117.4664 59.5375 32.4559 178.7911 62 E 3.9232 7.9680 118.3689 59.6040 29.6511 178.6791 63 Q 4.0561 8.8735 120.5910 60.0265 28.9662 178.2711 64 R 4.0626 7.9327 119.4023 58.1227 29.6300 178.4475 65 I 3.7094 7.8229 112.8621 64.8566 37.3887 176.9966 66 L 4.0641 8.1002 122.2691 56.6051 41.8224 178.2241 67 A 4.0523 8.2198 120.0725 55.4019 18.4275 179.9934 68 K 3.8959 8.0410 116.8625 59.8726 32.1169 179.7247 69 T 3.9175 7.5115 109.2905 64.7942 68.6546 176.3549 70 I 3.6461 8.2132 123.0828 64.1109 37.1421 178.4481 71 K 3.7426 8.1504 119.0094 59.5108 31.7174 179.2676 72 R 3.8075 7.8623 116.8330 59.5522 30.3516 178.5433 73 A 4.2048 8.3088 120.3451 55.2379 18.3188 179.7111 74 R 4.5695 7.7621 117.8727 59.1358 29.8885 179.3400 75 I 3.9595 7.6307 118.3277 63.9120 36.9913 177.2725 76 L 4.6125 8.0456 119.0018 53.6429 41.4559 177.0675 77 G 4.5900 7.9297 105.7727 46.6408 0.0000 175.2551 78 L 4.3752 7.6663 119.5882 55.6592 42.9311 177.2860 79 L 4.7089 7.5434 118.2340 51.9228 43.3836 174.3135 80 P 4.6866 0.0000 0.0000 62.9886 31.7982 176.6799 81 F 4.2044 8.9348 119.8534 59.6443 39.6389 175.2708 82 T 4.6077 7.0687 111.1922 63.9473 70.9335 170.1079 83 E 5.6749 8.0390 125.2797 55.9260 30.3417 176.7259 84 K 4.4039 8.0598 123.0989 55.8553 32.8802 176.5086 85 L 4.3241 8.1498 123.5838 54.5700 43.1643 175.7708 86 V 4.2241 7.8917 119.4870 61.7111 33.8174 175.5719 87 R 3.4611 8.6523 115.1364 57.4514 27.5456 176.1641 88 K 4.1574 8.0999 121.8797 56.7886 33.2049 176.5804 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 19 K 8.31 4.09 0.00 1.70 1.88 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.49 7.81 20 A 7.67 4.47 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 21 K 8.03 4.15 0.00 1.78 1.76 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.37 7.81 22 V 8.26 3.57 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.72 0.00 0.00 23 K 7.99 3.92 0.00 2.04 1.85 0.00 1.92 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.58 7.81 24 A 8.20 4.22 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 25 T 7.35 4.23 4.13 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 0.00 0.00 1.15 0.00 0.00 26 L 8.37 4.42 0.00 1.56 1.48 0.45 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.19 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 0.00 0.00 0.00 0.00 28 E 8.97 4.14 0.00 2.00 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 2.33 2.33 0.00 29 F 8.07 4.87 0.00 3.08 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 30 D 8.55 4.41 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.79 4.62 0.00 1.79 1.68 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.02 4.39 0.00 1.69 2.26 0.00 3.32 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 33 D 7.57 4.29 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.85 0.00 3.09 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 35 R 7.94 4.45 0.00 1.82 1.89 0.00 3.16 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 36 N 8.20 4.68 0.00 2.86 2.98 0.00 0.00 6.25 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 6.49 3.00 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 0.90 0.00 0.00 0.94 0.00 0.00 38 E 8.19 4.17 0.00 1.92 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 0.00 2.33 2.42 0.00 39 V 8.33 3.68 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 0.81 0.00 0.00 0.91 0.00 0.00 40 L 7.79 3.73 0.00 1.75 1.61 0.98 0.78 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 K 9.24 4.04 0.00 2.02 1.92 0.00 1.54 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.57 7.81 42 R 7.70 4.47 0.00 1.87 1.95 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 43 F 8.99 4.63 0.00 3.14 3.03 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 44 L 7.57 5.64 0.00 1.59 1.63 0.94 0.95 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 45 S 7.25 3.72 0.00 4.05 3.81 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 0.00 0.00 0.00 46 E 8.63 4.76 0.00 1.91 1.91 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 2.19 2.21 0.00 47 T 8.09 5.40 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 1.30 0.00 0.00 48 G 9.05 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 49 K 7.76 3.94 0.00 1.80 1.79 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.47 7.81 50 I 8.66 4.57 1.88 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 1.39 0.77 0.95 0.00 0.00 51 L 7.52 3.44 0.00 1.96 1.73 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.36 0.00 2.22 2.25 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 53 R 8.33 4.52 0.00 1.90 1.98 0.00 3.28 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 54 R 8.01 4.22 0.00 1.84 1.97 0.00 3.20 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 55 R 7.82 4.41 0.00 1.89 1.83 0.00 3.25 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 56 T 8.04 3.97 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 57 G 7.76 4.27 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 0.00 58 L 7.44 4.53 0.00 1.75 1.73 1.39 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.12 4.69 0.00 3.91 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 60 A 8.35 4.10 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 61 K 7.98 3.91 0.00 1.83 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 7.97 3.92 0.00 2.32 1.99 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 2.37 2.35 0.00 63 Q 8.87 4.06 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 64 R 7.93 4.06 0.00 2.05 1.87 0.00 3.21 0.00 0.00 3.22 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 65 I 7.82 3.71 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 0.90 0.00 0.00 66 L 8.10 4.06 0.00 1.76 1.83 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.22 4.05 1.37 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 0.00 0.00 0.00 68 K 8.04 3.90 0.00 1.88 1.86 0.00 1.54 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 69 T 7.51 3.92 4.34 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 1.40 0.00 0.00 70 I 8.21 3.65 2.01 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 1.60 0.86 0.85 0.00 0.00 71 K 8.15 3.74 0.00 1.93 1.77 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.53 7.81 72 R 7.86 3.81 0.00 1.88 1.71 0.00 3.11 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 73 A 8.31 4.20 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.76 4.57 0.00 1.90 1.54 0.00 2.82 0.00 0.00 2.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.49 0.00 75 I 7.63 3.96 2.12 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 1.65 0.55 0.92 0.00 0.00 76 L 8.05 4.61 0.00 1.89 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.93 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.38 0.00 1.87 1.77 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.54 4.71 0.00 1.69 1.57 0.92 1.10 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 80 P 0.00 4.69 0.00 2.08 2.14 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 81 F 8.93 4.20 0.00 2.94 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 82 T 7.07 4.61 4.33 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 1.28 0.00 0.00 83 E 8.04 5.67 0.00 2.32 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 2.25 2.17 0.00 84 K 8.06 4.40 0.00 1.78 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.38 7.81 85 L 8.15 4.32 0.00 1.59 1.59 0.92 0.86 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 86 V 7.89 4.22 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 0.92 0.00 0.00 0.93 0.00 0.00 87 R 8.65 3.46 0.00 2.03 2.03 0.00 3.21 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 88 K 8.10 4.16 0.00 1.70 1.67 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81