NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4187 8.3349 115.4079 58.4986 64.1916 173.3621 3 H 4.3124 8.5586 116.3157 56.0799 28.9748 174.5816 4 M 4.1639 7.7261 120.9414 54.3467 33.0718 174.1646 5 P 4.3110 0.0000 0.0000 62.6106 32.1188 176.0581 6 V 3.9372 8.1932 121.0632 61.3430 31.6728 174.2015 7 P 4.6542 0.0000 0.0000 62.2494 31.9992 176.8281 8 S 4.4698 8.8564 116.0834 57.7344 65.0539 175.2626 9 F 4.1931 8.7744 123.6551 61.5406 39.0845 177.3453 10 G 3.3178 8.0004 104.7011 47.5960 0.0000 175.2640 11 E 3.4523 7.9682 120.8071 58.9888 29.4410 179.3391 12 A 3.9414 7.9348 120.9571 55.4573 18.4122 179.6517 13 M 4.0022 7.7449 117.0120 58.2218 31.7760 178.8584 14 A 3.9547 7.6976 121.0897 55.2779 18.5094 179.3753 15 Y 4.2905 7.8888 115.5142 61.2152 37.9067 178.1141 16 F 4.1164 8.8373 121.8692 61.4759 39.4362 176.9332 17 A 3.9835 8.2740 120.1567 55.5555 18.1004 179.5824 18 M 4.0609 7.8440 117.2895 58.2092 31.9820 179.0325 19 V 3.5530 7.6859 118.5026 66.0420 31.6889 178.2513 20 K 3.7856 7.8811 118.4796 59.3447 31.6020 179.2025 21 R 3.8604 7.7651 118.0024 59.5182 30.2431 177.7725 22 Y 4.1469 8.0845 119.1422 60.8418 38.8085 177.7650 23 L 4.1953 8.2799 120.2768 57.7144 41.5017 178.6701 24 T 4.4722 7.7713 107.0768 61.9151 69.1436 175.3185 25 S 4.2723 7.6363 115.4601 58.7112 63.6742 173.8045 26 F 4.8226 7.3217 120.0036 55.0221 41.6363 174.6046 27 P 4.6654 0.0000 0.0000 62.3534 29.1963 176.3258 28 I 3.9155 7.3174 114.5209 61.1860 39.0508 177.1413 29 D 4.7167 8.2679 122.2135 52.8476 41.5525 176.0882 30 D 4.3805 8.5373 117.2149 57.2379 40.7330 178.8439 31 R 3.7702 8.0449 118.3941 59.2019 30.0822 178.6758 32 V 3.5721 7.6621 117.4559 66.3741 31.4871 177.7983 33 Q 4.0153 7.7538 117.8300 59.2934 28.5502 179.5100 34 S 4.0750 8.1679 114.9613 61.6547 63.1174 176.2786 35 H 4.3526 8.2762 120.0390 58.5105 28.3430 177.8787 36 I 3.9613 8.0868 121.9789 64.3859 37.0130 178.2187 37 L 4.0242 7.9767 121.1480 58.5508 41.9379 178.6627 38 H 4.2673 8.5248 116.6153 58.8361 28.7390 177.6260 39 L 3.9347 7.9903 121.9827 58.0313 41.9690 178.5245 40 E 3.2480 8.1883 119.3687 59.4097 29.5169 178.6106 41 H 4.1242 8.3630 116.3310 58.8148 28.6871 177.3129 42 D 4.4473 8.1315 120.7664 57.5465 40.7351 179.0095 43 L 3.9926 7.6656 119.1348 57.5557 41.5662 179.8202 44 V 3.6297 7.3493 117.5832 66.4452 31.5307 177.9612 45 H 4.3125 8.1591 115.9750 58.6970 28.3516 177.9150 46 V 3.6015 7.9344 119.5774 66.2961 31.3857 177.9491 47 T 4.0036 7.2945 113.1257 66.7689 68.3741 176.6296 48 R 3.9758 7.7351 118.7482 58.8304 30.1554 177.2484 49 K 4.2274 8.0462 123.0093 56.7218 32.3516 176.1953 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 S 8.33 4.42 0.00 4.06 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 3 H 8.56 4.31 0.00 3.26 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.73 4.16 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 5 P 0.00 4.31 0.00 2.20 2.08 0.00 3.50 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 2.01 2.09 0.00 6 V 8.19 3.94 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 0.86 0.00 0.00 0.95 0.00 0.00 7 P 0.00 4.65 0.00 2.16 2.10 0.00 3.81 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 8 S 8.86 4.47 0.00 4.08 4.01 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 0.00 0.00 0.00 9 F 8.77 4.19 0.00 3.16 3.12 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 10 G 8.00 3.32 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 0.00 11 E 7.97 3.45 0.00 1.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 12 A 7.93 3.94 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 13 M 7.74 4.00 0.00 1.84 1.67 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 14 A 7.70 3.95 1.19 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 15 Y 7.89 4.29 0.00 3.15 2.90 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 16 F 8.84 4.12 0.00 3.13 3.24 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 0.00 17 A 8.27 3.98 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 18 M 7.84 4.06 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.95 0.00 19 V 7.69 3.55 1.84 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 0.92 0.00 0.00 0.92 0.00 0.00 20 K 7.88 3.79 0.00 1.79 1.75 0.00 1.76 0.00 0.00 1.97 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.04 0.74 7.81 21 R 7.77 3.86 0.00 2.09 1.99 0.00 3.27 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 1.63 1.64 0.00 22 Y 8.08 4.15 0.00 3.16 3.14 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 0.00 0.00 0.00 0.00 23 L 8.28 4.20 0.00 1.77 1.76 0.96 0.59 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 24 T 7.77 4.47 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 1.25 0.00 0.00 25 S 7.64 4.27 0.00 3.66 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 26 F 7.32 4.82 0.00 2.99 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 27 P 0.00 4.67 0.00 2.20 2.12 0.00 3.97 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 2.04 1.99 0.00 28 I 7.32 3.92 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 0.98 0.00 0.00 29 D 8.27 4.72 0.00 2.84 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 30 D 8.54 4.38 0.00 2.70 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 31 R 8.04 3.77 0.00 2.12 1.88 0.00 3.15 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 32 V 7.66 3.57 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 1.13 0.00 0.00 0.99 0.00 0.00 33 Q 7.75 4.02 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 34 S 8.17 4.08 0.00 3.89 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 35 H 8.28 4.35 0.00 3.37 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.09 3.96 2.14 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 1.47 0.77 1.10 0.00 0.00 37 L 7.98 4.02 0.00 1.75 1.77 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.52 4.27 0.00 3.19 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.99 3.93 0.00 1.96 1.69 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.19 3.25 0.00 2.05 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 2.28 2.19 0.00 41 H 8.36 4.12 0.00 3.45 3.38 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.13 4.45 0.00 2.89 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 43 L 7.67 3.99 0.00 1.82 1.75 0.46 0.64 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 44 V 7.35 3.63 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 0.89 0.00 0.00 0.95 0.00 0.00 45 H 8.16 4.31 0.00 3.25 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.93 3.60 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 0.85 0.00 0.00 0.99 0.00 0.00 47 T 7.29 4.00 4.21 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 1.01 0.00 0.00 48 R 7.74 3.98 0.00 1.91 1.95 0.00 3.12 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 49 K 8.05 4.23 0.00 1.91 1.82 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81