NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 3.9021 8.0544 120.3442 62.7055 32.0643 178.3228 12 S 4.1089 7.8783 106.6237 55.8106 62.3087 169.2620 13 Y 4.7120 8.4901 122.7657 55.6632 39.6398 173.5358 14 P 4.3290 0.0000 0.0000 62.7063 32.1645 175.8086 15 I 4.1293 8.1517 111.3608 61.5807 38.7245 176.6131 16 F 3.8303 7.8419 121.3060 55.9690 37.5689 175.2081 17 T 4.5854 7.4927 114.4703 60.3115 72.1456 175.0130 18 V 3.5651 8.6292 121.1728 66.7568 31.3083 178.3327 19 R 3.9335 7.9060 117.1785 59.3769 29.9876 178.1658 20 W 4.0045 7.5496 126.3351 60.3118 31.0718 177.5008 21 V 3.0714 8.2538 118.2836 66.7839 30.7685 177.0358 22 A 3.9309 7.8404 119.1311 53.6983 17.9139 179.5070 23 V 3.2893 7.7118 116.3598 65.2488 32.0086 178.4272 24 H 3.9231 7.8079 116.3833 58.4403 28.7586 177.2763 25 T 3.7704 7.2793 110.0015 65.0163 68.3885 175.6124 26 L 4.1548 7.6629 120.6697 57.3169 41.6588 178.6896 27 A 4.0137 7.6514 120.6618 55.1003 18.2641 179.8308 28 V 3.4247 7.8242 117.0415 65.6229 31.2027 176.1619 29 P 4.3201 0.0000 0.0000 66.5569 31.1265 178.7874 30 T 4.0189 8.1120 113.9143 67.1164 68.5507 176.3611 31 I 3.4501 7.6327 121.2216 63.9323 37.0884 178.5237 32 F 4.2822 8.1022 121.8180 61.1848 39.2281 177.2229 33 F 3.9579 9.3409 117.8922 60.7110 38.8018 177.4465 34 L 4.2454 9.2116 119.8336 58.2060 41.5418 180.1273 35 G 3.6493 8.2842 104.8357 47.4298 0.0000 175.6319 36 A 4.1125 7.8001 122.3001 55.1269 18.7225 179.5929 37 I 3.8076 8.3535 118.2469 64.6604 36.2154 178.5276 38 A 4.0668 8.2632 121.2471 55.0495 17.8009 179.6970 39 A 4.1604 7.6779 118.3427 55.7567 18.7324 179.2872 40 M 4.1883 8.2110 117.2697 59.0593 31.8676 179.4508 41 Q 3.2073 6.9054 113.5854 57.8132 28.9276 178.0133 42 F 4.8405 8.8543 117.3922 56.9048 41.4906 175.1999 43 I 4.0669 7.7232 122.7557 61.6621 35.2420 175.5948 44 Q 4.1711 7.6554 119.0560 56.8195 30.4628 177.2862 45 R 4.0858 8.5988 117.5501 57.4377 31.1203 176.3730 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 11 V 8.05 3.90 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.86 0.00 0.00 12 S 7.88 4.11 0.00 3.78 3.61 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 13 Y 8.49 4.71 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.09 2.07 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 15 I 8.15 4.13 1.74 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.89 0.00 0.00 16 F 7.84 3.83 0.00 2.79 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.49 4.59 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 1.26 0.00 0.00 18 V 8.63 3.57 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 1.05 0.00 0.00 0.97 0.00 0.00 19 R 7.91 3.93 0.00 1.91 2.00 0.00 3.46 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 20 W 7.55 4.00 0.00 3.44 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 3.07 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 0.93 0.00 0.00 1.22 0.00 0.00 22 A 7.84 3.93 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 23 V 7.71 3.29 1.95 0.00 0.00 0.00 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 24 H 7.81 3.92 0.00 2.28 2.67 0.00 5.90 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.28 3.77 4.18 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 1.15 0.00 0.00 26 L 7.66 4.15 0.00 1.64 1.70 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.65 4.01 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 28 V 7.82 3.42 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 1.03 0.00 0.00 0.87 0.00 0.00 29 P 0.00 4.32 0.00 2.38 2.32 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 30 T 8.11 4.02 4.31 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 1.25 0.00 0.00 31 I 7.63 3.45 1.92 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 1.55 1.41 0.95 0.00 0.00 32 F 8.10 4.28 0.00 3.05 2.84 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 33 F 9.34 3.96 0.00 3.34 2.96 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 34 L 9.21 4.25 0.00 1.74 1.81 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.28 3.65 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 0.00 0.00 0.00 36 A 7.80 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 3.81 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.91 0.00 0.00 38 A 8.26 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.68 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.21 4.19 0.00 2.10 2.22 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 2.90 2.63 0.00 41 Q 6.91 3.21 0.00 1.47 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 42 F 8.85 4.84 0.00 2.87 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 43 I 7.72 4.07 1.90 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 1.53 0.84 0.95 0.00 0.00 44 Q 7.66 4.17 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.17 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 45 R 8.60 4.09 0.00 1.92 1.90 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00