NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 D 4.7999 8.2076 120.5389 54.0904 41.6238 175.9179 18 P 4.0060 0.0000 0.0000 63.0825 31.5211 177.8330 19 F 4.7676 7.4703 120.0260 55.2248 38.4743 175.2466 20 Y 4.5405 7.4238 119.6213 56.6757 41.8914 172.6001 21 Y 4.7290 8.6323 126.5893 55.9290 42.5113 174.8836 22 D 4.7564 7.1056 124.2302 53.4572 40.8597 177.0765 23 Y 4.4225 8.1488 120.6206 61.6522 38.2694 178.2263 24 E 4.0138 8.5501 119.3355 58.9732 29.1429 177.8976 25 T 4.2102 7.8110 111.9411 63.2848 67.8200 176.4223 26 V 3.8168 7.7395 119.7587 65.2360 31.7298 177.7712 27 R 3.9312 8.3282 118.8869 59.5762 29.8663 178.1599 28 N 4.6666 7.9711 114.0834 55.0532 38.5623 176.4842 29 G 4.1381 7.5534 105.1562 45.4471 0.0000 175.9462 30 G 3.8338 8.6538 108.3993 47.5977 0.0000 175.8632 31 L 4.2862 7.8174 119.6618 56.4139 41.7684 178.0992 32 I 4.1872 7.7549 117.8802 62.0845 37.5983 176.7467 33 F 4.5332 8.7939 118.0285 57.5159 39.7491 176.8189 34 A 4.4740 8.0984 119.1668 52.9370 18.8344 177.7784 35 A 4.3975 7.8350 117.1584 52.3792 19.6701 177.8239 36 L 4.3622 7.5112 117.6312 56.4339 42.7611 178.5421 37 A 4.0413 7.7782 119.6093 54.8794 18.1052 179.3339 38 F 4.1322 7.8459 118.4696 60.6427 39.6849 176.3264 39 I 4.1911 7.5584 110.9828 61.5983 38.7963 177.9027 40 V 3.6885 8.0436 121.0032 65.9478 31.3983 178.2364 41 G 3.6187 8.4688 105.5846 47.2649 0.0000 175.2322 42 L 4.1157 7.3064 119.6366 56.5996 41.4647 178.7932 43 I 3.9489 7.5142 119.2281 63.1314 37.3421 177.2597 44 I 4.1517 7.4184 119.1954 62.7199 38.0547 177.7571 45 I 3.9065 7.6331 114.2515 63.6259 37.6751 177.7773 46 L 4.6318 7.3863 118.9413 54.6199 41.9878 177.0426 47 S 4.3726 7.7520 118.5958 58.4272 63.0752 173.6737 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 17 D 8.21 4.80 0.00 2.87 2.95 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 0.00 0.00 0.00 0.00 18 P 0.00 4.01 0.00 1.87 1.94 0.00 3.53 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.76 0.00 19 F 7.47 4.77 0.00 3.15 3.12 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 0.00 0.00 0.00 0.00 20 Y 7.42 4.54 0.00 3.13 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 21 Y 8.63 4.73 0.00 2.74 2.47 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 22 D 7.11 4.76 0.00 2.46 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 0.00 0.00 0.00 0.00 23 Y 8.15 4.42 0.00 3.27 3.07 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 0.00 0.00 0.00 0.00 24 E 8.55 4.01 0.00 2.14 2.04 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 2.43 2.43 0.00 25 T 7.81 4.21 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 V 7.74 3.82 2.25 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 1.07 0.00 0.00 0.98 0.00 0.00 27 R 8.33 3.93 0.00 2.21 1.97 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 28 N 7.97 4.67 0.00 2.74 2.90 0.00 0.00 6.96 7.54 0.00 0.00 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 G 7.55 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 3.83 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 0.00 0.00 0.00 31 L 7.82 4.29 0.00 1.82 1.77 0.93 0.75 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 32 I 7.75 4.19 2.09 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 1.41 0.54 0.89 0.00 0.00 33 F 8.79 4.53 0.00 3.03 3.08 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 34 A 8.10 4.47 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 4.40 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 36 L 7.51 4.36 0.00 1.68 1.60 0.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.78 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.85 4.13 0.00 3.25 3.12 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 0.00 0.00 0.00 0.00 39 I 7.56 4.19 1.89 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 1.65 0.74 1.16 0.00 0.00 40 V 8.04 3.69 2.20 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 1.00 0.00 0.00 0.95 0.00 0.00 41 G 8.47 3.62 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 0.00 0.00 0.00 42 L 7.31 4.12 0.00 1.85 1.60 0.56 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.51 3.95 2.03 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 1.77 0.74 0.89 0.00 0.00 44 I 7.42 4.15 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.63 0.90 0.00 0.00 45 I 7.63 3.91 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.54 0.90 0.00 0.00 46 L 7.39 4.63 0.00 1.84 1.70 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.75 4.37 0.00 3.99 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