NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5290 8.3049 120.2770 54.8595 35.8488 176.0992 2 K 3.9817 8.6291 126.5719 55.8033 33.1874 169.4797 3 V 4.3171 9.2481 131.4276 61.2268 32.0256 180.2303 4 R 4.2376 9.4012 112.5154 56.4274 28.2724 175.4970 5 A 4.7923 8.3137 119.2503 51.7307 19.3113 175.8726 6 S 4.8388 7.5545 111.3838 57.7089 67.8625 175.7421 7 V 4.3639 8.1878 118.9724 62.4024 30.5809 178.8083 8 K 3.9473 9.4301 117.9786 55.4859 31.6215 173.4525 9 K 4.8965 8.1752 117.9607 55.4331 35.1777 174.1325 10 L 4.5309 8.3083 114.9289 56.2222 43.7683 175.9421 11 C 4.6406 7.4941 110.2591 57.1909 31.9805 174.2542 12 R 3.9357 8.7851 115.8055 59.6402 28.5165 177.8181 13 N 4.4474 8.1579 115.7385 55.7031 38.8990 175.0884 14 C 4.3431 7.5281 118.0256 59.4657 32.0739 172.1748 15 K 4.1267 8.5929 127.1291 57.7417 33.0170 172.3738 16 I 3.4492 8.8292 127.9756 60.7931 37.0493 173.4346 17 V 4.5055 7.7778 122.0041 61.0158 34.5952 173.9058 18 K 4.7740 8.3001 123.5307 55.3962 35.8336 175.2571 19 R 4.5584 7.8203 116.4745 55.3649 33.9294 176.5874 20 D 4.2586 8.5583 119.6326 54.5385 39.9372 174.3194 21 G 3.7052 8.5755 106.1939 47.0451 0.0000 173.9810 22 V 4.3473 7.0115 112.8570 59.7672 34.0144 174.9695 23 I 4.6189 7.9393 121.8145 59.8737 40.0113 175.0261 24 R 5.0165 8.4002 123.8007 54.5879 35.1093 174.1084 25 V 4.6306 8.3904 121.3613 59.9850 34.4845 174.5738 26 I 4.8117 8.3002 122.4488 59.6247 41.1518 173.6421 27 C 5.2261 8.5034 125.0167 57.5544 33.8481 174.5271 28 S 4.1451 8.4071 121.1553 61.6989 62.4381 175.7452 29 A 3.9937 8.2666 122.2241 53.7985 18.4474 176.7339 30 E 4.5685 7.7867 116.9053 53.9467 30.2445 175.1370 31 P 4.2744 0.0000 0.0000 65.1299 31.8164 178.4907 32 K 4.0611 8.0637 116.6552 58.8513 32.4088 176.6393 33 H 4.6586 8.1144 118.6980 56.3947 30.2285 174.9779 34 K 4.2845 7.6276 119.6306 56.9423 32.2519 175.9339 35 Q 4.5843 8.2162 124.8688 54.3965 31.1249 175.3195 36 R 4.2936 8.8637 126.0656 59.1605 30.8778 175.6969 37 Q 4.9776 7.2220 113.7043 56.3606 32.0952 174.8394 38 G 4.2081 8.2564 105.6944 47.6654 0.0000 173.5344 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 M 8.30 4.53 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 2 K 8.63 3.98 0.00 1.78 1.73 0.00 1.66 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.63 7.81 3 V 9.25 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 0.77 0.00 0.00 0.93 0.00 0.00 4 R 9.40 4.24 0.00 2.25 2.08 0.00 3.11 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 5 A 8.31 4.79 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 6 S 7.55 4.84 0.00 3.95 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 7 V 8.19 4.36 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 8 K 9.43 3.95 0.00 1.97 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.41 7.81 9 K 8.18 4.90 0.00 1.85 1.83 0.00 1.52 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.42 7.81 10 L 8.31 4.53 0.00 1.56 1.65 0.55 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.49 4.64 0.00 3.04 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 12 R 8.79 3.94 0.00 1.94 2.12 0.00 3.03 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 13 N 8.16 4.45 0.00 2.76 2.90 0.00 0.00 6.75 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 14 C 7.53 4.34 0.00 2.88 3.04 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 15 K 8.59 4.13 0.00 1.75 1.79 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.44 7.81 16 I 8.83 3.45 1.87 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 1.31 0.54 0.96 0.00 0.00 17 V 7.78 4.51 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 0.79 0.00 0.00 0.93 0.00 0.00 18 K 8.30 4.77 0.00 1.94 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.43 7.81 19 R 7.82 4.56 0.00 1.75 1.80 0.00 3.36 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 20 D 8.56 4.26 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 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 22 V 7.01 4.35 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 0.72 0.00 0.00 0.93 0.00 0.00 23 I 7.94 4.62 1.86 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 1.34 1.09 0.91 0.00 0.00 24 R 8.40 5.02 0.00 1.86 1.83 0.00 3.06 0.00 0.00 3.50 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 25 V 8.39 4.63 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.96 0.00 0.00 26 I 8.30 4.81 1.87 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 1.47 1.13 0.93 0.00 0.00 27 C 8.50 5.23 0.00 3.00 2.88 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 28 S 8.41 4.15 0.00 3.75 3.99 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 29 A 8.27 3.99 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 30 E 7.79 4.57 0.00 2.00 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 2.22 2.20 0.00 31 P 0.00 4.27 0.00 2.22 2.31 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 32 K 8.06 4.06 0.00 1.90 2.00 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.45 7.81 33 H 8.11 4.66 0.00 3.24 3.54 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.63 4.28 0.00 1.82 1.73 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.57 7.81 35 Q 8.22 4.58 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 36 R 8.86 4.29 0.00 1.89 2.13 0.00 3.33 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 37 Q 7.22 4.98 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 38 G 8.26 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 0.00 0.00 0.00 0.00