NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8991 7.9127 120.3301 61.8469 31.6959 170.7443 2 V 3.0068 8.1815 132.1403 60.6894 30.9600 171.1653 3 S 4.5163 9.1332 122.4816 61.2690 63.8569 174.8242 4 H 4.1608 8.5354 121.0822 58.3895 29.2460 175.8999 5 F 4.3341 8.1772 121.5484 59.1477 39.8687 174.0483 6 N 5.4427 8.3247 118.7272 51.2351 42.2768 174.7028 7 D 4.4688 8.2666 118.9793 54.2215 42.8249 174.7042 8 C 5.1189 8.5425 123.4802 53.4868 44.0753 171.8732 9 P 4.5056 0.0000 0.0000 63.0948 31.8645 176.1948 10 D 4.5133 8.4768 115.9454 56.0648 42.9759 176.5650 11 S 4.2652 7.9754 115.2277 58.9760 61.2854 171.0065 12 H 3.5811 8.4045 126.6662 57.1128 28.2605 174.7382 13 T 4.2498 8.3813 125.3030 61.4043 67.2164 175.8446 14 Q 3.8163 8.0931 126.8597 57.1790 28.0415 175.2933 15 F 4.7430 8.1574 116.9582 60.1651 40.2096 176.0019 16 C 4.8160 7.4370 116.8702 54.6075 39.1263 174.7689 17 F 3.7422 8.5562 122.1488 60.7036 39.3480 175.5039 18 H 4.6065 8.6250 116.7971 54.4956 27.3084 172.4372 19 G 4.5329 7.5868 105.4632 44.4664 0.0000 172.3649 20 T 5.0792 9.2949 110.6216 58.6664 70.1761 170.2439 21 C 5.0055 9.0851 123.2949 55.1328 44.6574 174.9307 22 R 4.1389 8.8701 122.3354 55.2005 28.9026 174.2724 23 F 4.9631 8.2849 123.5486 57.8157 39.2136 172.5669 24 L 3.9298 8.5709 124.7527 54.1905 39.9873 177.7400 25 V 2.2659 8.3730 124.6545 65.2685 31.7219 178.6090 26 Q 3.8991 7.1183 115.4114 58.6377 28.3513 177.1002 27 E 4.1536 7.8852 116.7404 55.7738 30.0376 175.7188 28 D 4.3203 7.7052 117.2481 54.1997 38.8682 173.6488 29 K 4.5754 7.7697 119.5281 55.0657 34.5792 173.6867 30 P 5.2463 0.0000 0.0000 61.9378 32.5629 175.3877 31 A 5.0331 9.0575 124.8472 50.4505 22.9053 173.8643 32 C 5.3140 9.0994 117.4219 55.2318 39.3998 174.2936 33 V 4.1408 8.6798 123.7080 61.5300 31.6319 174.4012 34 C 4.7505 8.7602 125.5097 57.3524 41.9498 173.8657 35 H 4.4995 8.9426 120.3196 55.5092 29.9591 174.6272 36 S 4.2637 8.7900 114.7933 60.4992 62.5172 174.1783 37 G 3.8585 9.1212 114.1454 46.2304 0.0000 170.9937 38 Y 5.3234 8.2277 115.6538 55.9740 41.0528 175.4168 39 V 4.5167 9.3378 114.6909 59.4376 35.5614 175.0399 40 G 3.8370 8.4951 108.3894 45.1704 0.0000 172.1091 41 A 3.9843 9.1949 123.1449 51.7451 17.8452 177.5475 42 R 3.7283 7.6753 111.3394 57.7658 31.6861 176.8821 43 C 4.8127 7.0656 109.7718 57.9011 37.2434 174.1435 44 E 4.1738 7.6466 122.4559 57.4237 30.7285 176.7840 45 H 5.2992 7.8214 114.8417 53.6349 31.8714 173.9819 46 A 4.3235 8.6638 123.4004 51.2894 19.9639 176.2263 47 D 4.2852 8.5951 120.5870 56.2477 40.6822 174.7923 48 L 4.2715 8.8208 130.6079 55.2176 42.1147 175.3483 49 L 4.2753 7.4830 116.7849 53.9087 41.1711 176.5903 50 A 4.5618 7.6980 125.9468 52.3224 18.1973 177.8672 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 7.91 3.90 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 2 V 8.18 3.01 2.12 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 1.04 0.00 0.00 0.93 0.00 0.00 3 S 9.13 4.52 0.00 4.05 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 0.00 4 H 8.54 4.16 0.00 3.23 3.40 0.00 5.85 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.18 4.33 0.00 3.04 3.18 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 6 N 8.32 5.44 0.00 2.48 2.91 0.00 0.00 7.33 8.71 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 7 D 8.27 4.47 0.00 2.79 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 8 C 8.54 5.12 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.28 1.94 0.00 3.63 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 2.00 2.05 0.00 10 D 8.48 4.51 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.98 4.27 0.00 3.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.40 3.58 0.00 3.09 3.18 0.00 5.94 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.38 4.25 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 14 Q 8.09 3.82 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 5.11 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 15 F 8.16 4.74 0.00 2.76 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 16 C 7.44 4.82 0.00 2.80 2.76 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 0.00 0.00 0.00 17 F 8.56 3.74 0.00 3.16 2.89 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 18 H 8.63 4.61 0.00 2.37 1.84 0.00 5.55 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.59 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.29 5.08 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 1.23 0.00 0.00 21 C 9.09 5.01 0.00 3.10 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 22 R 8.87 4.14 0.00 1.80 1.75 0.00 3.23 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 23 F 8.28 4.96 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.57 3.93 0.00 1.51 1.69 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.37 2.27 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 0.90 0.00 0.00 0.78 0.00 0.00 26 Q 7.12 3.90 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.40 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 27 E 7.89 4.15 0.00 1.97 1.92 0.00 0.00 0.00 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 2.13 0.00 28 D 7.71 4.32 0.00 3.01 2.81 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 29 K 7.77 4.58 0.00 1.59 1.62 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.42 7.81 30 P 0.00 5.25 0.00 2.13 2.09 0.00 3.64 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 1.87 1.88 0.00 31 A 9.06 5.03 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 32 C 9.10 5.31 0.00 2.88 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 33 V 8.68 4.14 2.23 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 0.80 0.00 0.00 0.97 0.00 0.00 34 C 8.76 4.75 0.00 2.94 3.06 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 0.00 0.00 0.00 0.00 35 H 8.94 4.50 0.00 2.52 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.79 4.26 0.00 4.03 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 37 G 9.12 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 0.00 0.00 0.00 38 Y 8.23 5.32 0.00 2.76 2.79 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 39 V 9.34 4.52 2.13 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 0.99 0.00 0.00 1.00 0.00 0.00 40 G 8.50 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 0.00 0.00 0.00 41 A 9.19 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 3.73 0.00 1.57 1.96 0.00 3.12 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.28 0.00 43 C 7.07 4.81 0.00 2.84 3.36 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 0.00 0.00 0.00 44 E 7.65 4.17 0.00 1.36 1.69 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 2.14 2.67 0.00 45 H 7.82 5.30 0.00 3.05 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.66 4.32 0.98 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 0.00 0.00 47 D 8.60 4.29 0.00 2.65 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 48 L 8.82 4.27 0.00 1.79 1.85 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.48 4.28 0.00 1.58 1.57 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.70 4.56 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