NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.9282 8.2876 117.8744 55.5526 30.5115 175.0644 2 P 4.3045 0.0000 0.0000 64.0070 30.7458 172.5530 3 V 3.5166 8.5230 119.1285 65.1161 32.0374 178.0310 4 Y 4.1680 7.7963 115.7375 60.5091 37.7131 177.6668 5 T 4.0725 8.5362 117.3186 66.2224 68.4883 177.0018 6 I 3.9571 7.3827 121.5063 64.0132 36.9703 178.3471 7 L 4.0086 7.7212 119.5466 57.3943 41.0817 179.4425 8 A 4.0422 7.7650 120.7417 55.2463 18.3754 179.7122 9 V 3.4845 7.5252 114.1348 64.8682 31.2503 178.0031 10 A 4.0404 7.7569 120.9249 55.0687 17.9842 178.7536 11 S 4.7757 7.6604 109.9167 58.5767 63.1609 175.5438 12 A 4.4145 7.2701 125.5289 54.5280 19.5836 180.1614 13 T 3.9150 7.6400 114.0763 66.5621 68.7068 177.1598 14 V 3.6949 7.4541 119.1827 64.8403 31.5135 178.0429 15 A 4.0181 7.3334 121.0764 55.4380 18.3416 178.8478 16 M 4.2963 7.8882 113.7194 56.7288 32.5305 177.7509 17 M 4.3104 7.6377 119.5219 57.7108 33.0971 178.4235 18 I 4.0311 7.7659 119.5563 64.1773 36.7452 178.9394 19 G 3.5841 8.1509 106.9750 47.4987 0.0000 175.7716 20 V 3.8592 7.6672 119.5746 65.2023 31.7273 178.1582 21 T 3.9217 8.3665 116.2714 66.4818 67.9741 176.8195 22 V 3.6413 7.8679 119.5767 65.2853 31.1677 177.6297 23 A 4.1319 7.7063 119.4543 53.6977 18.4303 179.1349 24 V 3.9904 7.7192 116.4777 65.1230 32.2197 178.0374 25 L 4.0140 8.0144 118.8514 57.9407 41.4443 179.0253 26 C 4.1124 7.9427 118.0117 62.0008 31.5134 175.3827 27 A 4.0893 7.4628 122.9842 54.8952 17.9156 179.4493 28 C 4.1150 8.5148 115.9200 62.9855 28.2293 176.2896 29 L 3.9908 8.2266 120.4660 57.5377 40.9154 179.3728 30 A 4.0159 7.8732 120.2562 54.7163 18.6026 179.2692 31 R 4.1685 7.8194 115.6198 58.1741 30.0275 179.0445 32 R 4.1349 8.1709 118.4034 58.3853 30.1911 177.6674 33 E 4.4973 8.1591 115.7156 56.6756 29.4175 176.7720 34 C 4.7143 7.8284 116.8817 61.0673 30.7988 175.5421 35 L 4.1511 7.7155 118.0649 57.4736 41.5687 177.1803 36 T 4.1057 7.4547 119.0578 63.7573 68.3326 174.2202 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 H 8.29 4.93 0.00 3.25 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.30 0.00 2.36 2.34 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 3 V 8.52 3.52 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.88 0.00 0.00 4 Y 7.80 4.17 0.00 3.21 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 5 T 8.54 4.07 4.29 0.00 0.00 0.00 0.00 0.00 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 6 I 7.38 3.96 1.94 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 1.53 1.40 0.90 0.00 0.00 7 L 7.72 4.01 0.00 1.72 1.68 0.82 0.71 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 8 A 7.76 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.48 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 1.01 0.00 0.00 0.97 0.00 0.00 10 A 7.76 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.78 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.27 4.41 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.64 3.91 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 14 V 7.45 3.69 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 1.01 0.00 0.00 0.98 0.00 0.00 15 A 7.33 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.89 4.30 0.00 2.02 2.12 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 2.76 2.57 0.00 17 M 7.64 4.31 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 18 I 7.77 4.03 2.03 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 1.45 1.09 0.91 0.00 0.00 19 G 8.15 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 3.86 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 1.07 0.00 0.00 0.97 0.00 0.00 21 T 8.37 3.92 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 1.21 0.00 0.00 22 V 7.87 3.64 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 1.01 0.00 0.00 1.00 0.00 0.00 23 A 7.71 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 3.99 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 1.10 0.00 0.00 0.96 0.00 0.00 25 L 8.01 4.01 0.00 1.85 1.70 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 C 7.94 4.11 0.00 3.06 2.99 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 27 A 7.46 4.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.51 4.12 0.00 3.12 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 29 L 8.23 3.99 0.00 1.68 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.87 4.02 1.34 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 0.00 0.00 0.00 31 R 7.82 4.17 0.00 1.94 1.98 0.00 3.12 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 32 R 8.17 4.13 0.00 1.89 1.96 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 33 E 8.16 4.50 0.00 2.08 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 2.33 2.36 0.00 34 C 7.83 4.71 0.00 2.99 2.91 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 35 L 7.72 4.15 0.00 1.70 1.73 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.45 4.11 4.35 0.00 0.00 0.00 0.00 0.00 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