NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3865 8.2493 123.5822 52.0877 19.9288 176.0543 2 V 4.3195 8.2478 120.9858 58.2089 34.1699 172.0040 3 Q 3.9146 8.8355 121.7098 55.4584 30.9231 178.1379 4 Q 4.4278 8.6262 117.0630 56.7474 30.4408 176.0656 5 N 4.9802 7.6848 113.0350 50.5351 41.2749 174.1371 6 K 3.9439 8.5993 123.3627 55.8308 32.5582 174.7986 7 P 4.3265 0.0000 0.0000 63.3288 32.1759 176.6068 8 T 4.3931 8.1538 111.2500 60.8812 71.0410 176.1259 9 R 4.0521 8.4014 118.5049 58.7292 29.5009 178.5085 10 S 4.2319 7.8888 113.9350 60.7234 62.6082 175.5930 11 K 3.9860 8.4939 122.9004 59.4543 31.6458 178.1858 12 R 4.1101 7.7633 118.1169 59.2364 30.1124 178.0065 13 G 4.0038 7.9525 104.1446 48.3845 0.0000 174.7648 14 M 4.0270 8.0130 121.5976 58.3171 31.8741 178.9262 15 R 3.9435 8.5145 117.6764 59.2749 30.1998 177.8466 16 R 4.4357 8.7666 117.2013 57.0653 30.2198 178.5180 17 S 4.0463 7.4201 114.2228 61.1916 62.6280 174.8741 18 H 4.7859 7.8992 116.8316 55.6425 29.1418 175.7483 19 D 4.2379 9.7636 119.2406 55.6476 40.9844 176.8408 20 A 4.1460 7.1540 122.5221 51.8921 18.9098 177.4295 21 L 4.3233 8.2306 121.0157 54.6693 42.6955 176.5037 22 T 4.4820 8.1036 117.1573 61.6056 70.1227 174.9262 23 A 4.1657 8.3467 129.1740 51.8837 19.0622 177.2082 24 V 3.6064 7.9662 121.0262 64.2671 32.1581 178.5333 25 T 3.5973 7.8521 110.6324 62.0368 68.5609 172.3478 26 S 4.5716 7.8968 115.5046 57.7836 62.3684 172.7912 27 L 4.9562 7.5421 118.8839 54.9205 41.9677 175.5404 28 S 4.7321 8.4498 114.3979 56.7562 67.1259 172.6861 29 V 4.4583 8.1555 119.7183 61.6808 31.6667 174.7783 30 D 4.6824 8.6911 126.4820 53.2302 41.9539 177.5929 31 K 4.1664 8.6782 125.5376 60.0284 33.0508 178.1772 32 T 4.0789 7.6576 113.7243 64.6491 68.9268 174.8617 33 S 4.4463 7.4102 113.8537 55.7284 64.8060 173.8670 34 G 3.3177 8.2126 109.3293 46.8315 0.0000 174.7827 35 E 3.4095 7.5427 112.4622 55.9885 27.1559 175.4600 36 K 4.9971 8.0819 126.2194 55.3773 34.7165 175.6252 37 H 4.5549 8.3765 113.2828 54.7586 31.5759 173.8251 38 L 4.2875 8.3908 121.5704 54.9522 42.8706 176.8409 39 R 3.9571 7.8493 122.1725 58.0544 30.4979 176.4743 40 H 4.6306 9.1095 119.1727 56.7192 26.2635 174.1228 41 H 4.8578 7.8140 115.4636 53.3893 31.4552 174.0647 42 I 3.9738 8.1009 123.1773 61.9246 37.7136 175.8062 43 T 4.4841 8.5959 112.8102 60.1356 70.2616 175.6813 44 A 3.8326 8.7698 126.3897 55.7844 18.3119 178.6626 45 D 4.5920 7.6986 112.8464 55.0362 41.2323 177.0944 46 G 4.1096 9.0453 109.8473 46.1408 0.0000 172.6861 47 Y 4.8882 8.5044 116.4908 55.9933 40.2836 175.2211 48 Y 4.8723 8.4044 123.4099 56.9864 41.1567 174.3082 49 R 3.6584 9.0448 127.1531 57.9043 27.3807 177.2471 50 G 3.7141 9.2683 106.4185 46.9034 0.0000 167.9025 51 R 3.6394 8.6303 124.9933 55.8739 29.3488 176.6917 52 K 3.6037 8.3007 127.2042 55.8442 30.1491 177.4293 53 V 3.7094 7.6336 117.1775 61.8786 33.3579 176.8075 54 I 3.0485 8.3608 112.0423 62.7038 33.4424 174.1578 55 A 3.9245 8.3386 129.1928 54.4250 18.5026 177.9196 56 K 4.1768 7.4274 117.8057 56.5711 32.2798 176.2177 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 A 8.25 4.39 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 2 V 8.25 4.32 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 0.71 0.00 0.00 0.93 0.00 0.00 3 Q 8.84 3.91 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 4 Q 8.63 4.43 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 5 N 7.68 4.98 0.00 2.65 2.69 0.00 0.00 6.83 7.61 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 6 K 8.60 3.94 0.00 1.71 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 7 P 0.00 4.33 0.00 2.07 2.00 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 8 T 8.15 4.39 4.24 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 1.21 0.00 0.00 9 R 8.40 4.05 0.00 2.02 2.23 0.00 3.11 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 10 S 7.89 4.23 0.00 3.91 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.49 3.99 0.00 1.85 1.79 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 R 7.76 4.11 0.00 1.86 2.09 0.00 3.34 0.00 0.00 3.23 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 13 G 7.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.01 4.03 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 15 R 8.51 3.94 0.00 1.87 2.14 0.00 3.25 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 16 R 8.77 4.44 0.00 2.03 1.94 0.00 3.22 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 17 S 7.42 4.05 0.00 3.93 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 18 H 7.90 4.79 0.00 3.20 3.33 0.00 5.61 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 19 D 9.76 4.24 0.00 2.82 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 20 A 7.15 4.15 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 21 L 8.23 4.32 0.00 1.65 1.61 0.92 0.85 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 22 T 8.10 4.48 4.24 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 1.21 0.00 0.00 23 A 8.35 4.17 1.23 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 0.00 0.00 0.00 24 V 7.97 3.61 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 1.02 0.00 0.00 0.92 0.00 0.00 25 T 7.85 3.60 4.24 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 1.23 0.00 0.00 26 S 7.90 4.57 0.00 4.01 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 27 L 7.54 4.96 0.00 1.79 1.61 0.91 0.54 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 28 S 8.45 4.73 0.00 3.82 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 29 V 8.16 4.46 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 0.90 0.00 0.00 0.91 0.00 0.00 30 D 8.69 4.68 0.00 2.83 2.62 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 31 K 8.68 4.17 0.00 1.88 1.91 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.45 7.81 32 T 7.66 4.08 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 1.22 0.00 0.00 33 S 7.41 4.45 0.00 3.57 2.63 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 0.00 0.00 0.00 0.00 34 G 8.21 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 35 E 7.54 3.41 0.00 2.08 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 0.00 2.30 2.30 0.00 36 K 8.08 5.00 0.00 1.64 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.42 7.81 37 H 8.38 4.55 0.00 3.24 3.42 0.00 5.49 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.39 4.29 0.00 1.54 1.61 0.68 0.81 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 39 R 7.85 3.96 0.00 1.75 1.83 0.00 3.32 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.38 0.00 40 H 9.11 4.63 0.00 3.46 3.46 0.00 5.76 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.81 4.86 0.00 3.36 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.10 3.97 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 0.92 0.00 0.00 43 T 8.60 4.48 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 44 A 8.77 3.83 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.70 4.59 0.00 2.78 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.05 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 0.00 0.00 0.00 47 Y 8.50 4.89 0.00 3.04 2.98 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 0.00 0.00 0.00 48 Y 8.40 4.87 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.04 3.66 0.00 1.56 1.66 0.00 3.01 0.00 0.00 2.67 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 50 G 9.27 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 51 R 8.63 3.64 0.00 2.03 1.94 0.00 3.20 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 52 K 8.30 3.60 0.00 1.43 1.59 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.18 1.28 7.81 53 V 7.63 3.71 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 0.86 0.00 0.00 0.99 0.00 0.00 54 I 8.36 3.05 1.82 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 1.30 0.99 0.90 0.00 0.00 55 A 8.34 3.92 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 56 K 7.43 4.18 0.00 1.87 1.70 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.34 7.81