NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0534 8.0549 114.0537 61.4656 32.8298 174.3457 2 T 4.2395 8.4536 121.9689 59.9141 69.9048 172.4728 3 S 4.8220 8.8857 121.3280 56.5434 67.0902 172.5992 4 Y 4.7827 8.2743 117.8858 56.5614 41.5158 175.0132 5 T 4.7252 8.5231 113.3371 59.6703 71.7531 172.9170 6 L 4.8197 8.5050 125.6200 53.1973 45.0822 175.0464 7 N 5.1454 8.3139 121.6844 51.7243 41.9877 173.3183 8 E 4.6432 8.1369 118.6492 55.2868 32.4315 174.8979 9 V 3.8772 8.8044 125.9025 62.1716 32.1389 175.5860 10 V 4.3589 8.2121 126.4660 60.5692 33.7595 174.0261 11 P 4.6110 0.0000 0.0000 60.7366 30.3188 175.9376 12 L 3.9124 8.2971 127.5742 58.9572 41.7071 178.6779 13 K 3.8739 8.1061 116.8052 58.9608 32.1506 177.2168 14 D 4.7151 8.0641 116.8894 54.3464 41.3214 176.8472 15 V 4.2080 7.5504 118.0513 63.1118 33.5867 175.7186 16 V 4.4734 7.6175 111.4921 58.2559 33.8737 173.5439 17 P 4.5589 0.0000 0.0000 62.4776 31.8652 176.3479 18 E 4.0214 8.8328 117.9333 58.2623 29.5205 177.7967 19 W 4.7589 8.0402 117.1446 54.8925 31.4006 175.0836 20 V 4.6557 8.2364 114.3492 60.1489 35.4723 174.2470 21 R 4.7278 8.3894 119.1352 54.3738 32.7267 175.5883 22 I 4.4405 7.6214 113.9992 59.2542 39.9308 175.2887 23 G 3.7868 7.4127 108.8447 45.6571 0.0000 172.1734 24 F 4.9342 8.3810 116.6709 55.6018 42.0900 174.6161 25 S 4.7510 8.3631 116.2850 56.8436 65.5920 172.9191 26 A 4.6426 8.1035 125.2762 51.5215 21.6284 175.6915 27 T 4.7934 8.1414 110.3339 60.3431 72.1085 172.9272 28 T 4.9440 8.2717 110.8293 60.0544 72.9168 175.0386 29 G 4.1927 8.7016 112.7570 45.3648 0.0000 175.2077 30 A 4.1899 9.0635 126.9176 54.0204 18.6593 177.8875 31 E 4.4395 7.9668 114.8469 54.8974 31.3306 175.1151 32 F 4.9149 6.5165 115.2005 56.4796 40.8734 172.6497 33 A 4.3613 8.1701 120.7581 52.0691 21.1280 175.4053 34 A 4.5580 8.5685 122.6228 51.0745 20.1415 177.1594 35 Q 4.5948 8.4917 120.4529 53.9189 31.4789 174.8909 36 E 4.6512 8.4270 119.3714 54.6489 32.7802 174.3458 37 V 4.2001 8.0368 118.9021 61.5082 33.6848 175.0392 38 H 4.7810 8.5813 122.8795 56.6968 29.9759 174.8966 39 S 4.7265 7.6738 110.7424 57.5234 65.0691 174.1396 40 W 5.3478 8.5097 130.3799 56.7717 33.3447 173.6513 41 S 4.7852 9.0080 119.5086 56.6019 65.0971 172.4558 42 F 4.8660 8.2377 125.6199 56.9777 42.1551 173.1427 43 N 4.7395 7.1886 123.9669 51.9997 41.7217 173.6250 44 S 4.5664 8.1471 118.5296 56.7459 66.3648 173.3848 45 Q 4.3573 8.2947 119.5709 54.5561 32.2773 173.8792 46 L 4.4091 8.4843 125.0363 53.7841 43.7330 176.1550 47 G 4.2028 8.7170 113.9875 46.1341 0.0000 172.9450 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 1 V 8.05 4.05 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 2 T 8.45 4.24 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 1.07 0.00 0.00 3 S 8.89 4.82 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.27 4.78 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.52 4.73 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 1.23 0.00 0.00 6 L 8.51 4.82 0.00 1.58 1.55 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.31 5.15 0.00 2.71 2.67 0.00 0.00 6.78 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.14 4.64 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 9 V 8.80 3.88 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 0.78 0.00 0.00 0.93 0.00 0.00 10 V 8.21 4.36 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 0.93 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.61 0.00 2.41 2.19 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 2.04 1.98 0.00 12 L 8.30 3.91 0.00 1.70 1.79 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.11 3.87 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 14 D 8.06 4.72 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 4.21 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 0.84 0.00 0.00 0.96 0.00 0.00 16 V 7.62 4.47 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 0.79 0.00 0.00 1.02 0.00 0.00 17 P 0.00 4.56 0.00 2.38 2.13 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 18 E 8.83 4.02 0.00 2.10 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 2.27 2.35 0.00 19 W 8.04 4.76 0.00 3.17 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 20 V 8.24 4.66 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 0.76 0.00 0.00 0.95 0.00 0.00 21 R 8.39 4.73 0.00 1.77 1.80 0.00 3.17 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 22 I 7.62 4.44 1.81 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.77 0.00 0.00 23 G 7.41 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.93 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.75 0.00 3.77 3.68 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 26 A 8.10 4.64 1.24 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 0.00 0.00 27 T 8.14 4.79 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 1.22 0.00 0.00 28 T 8.27 4.94 4.42 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 1.32 0.00 0.00 29 G 8.70 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 30 A 9.06 4.19 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 31 E 7.97 4.44 0.00 1.98 1.71 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 2.16 2.21 0.00 32 F 6.52 4.91 0.00 3.10 3.08 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 33 A 8.17 4.36 1.21 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 0.00 0.00 0.00 34 A 8.57 4.56 1.26 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 0.00 0.00 0.00 35 Q 8.49 4.59 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 36 E 8.43 4.65 0.00 2.01 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 0.00 2.15 2.31 0.00 37 V 8.04 4.20 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.05 0.00 0.00 38 H 8.58 4.78 0.00 3.12 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.67 4.73 0.00 4.03 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 W 8.51 5.35 0.00 3.36 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.01 4.79 0.00 3.86 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 42 F 8.24 4.87 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.19 4.74 0.00 2.53 2.41 0.00 0.00 6.79 7.63 0.00 0.00 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 S 8.15 4.57 0.00 3.92 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.29 4.36 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 46 L 8.48 4.41 0.00 1.46 1.46 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.72 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00