NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4210 8.3231 116.7950 58.4421 64.2000 174.0627 2 G 3.6963 8.3651 112.5333 44.0625 0.0000 171.4256 3 N 5.0862 7.9769 122.3716 52.0290 42.6841 173.2428 4 Y 4.6203 8.1117 116.9764 58.4100 39.2836 178.4293 5 V 3.1645 6.4017 114.0018 64.0153 31.3591 177.8283 6 L 3.9462 7.6537 118.5184 58.3907 42.2016 178.3710 7 D 4.5507 8.0357 118.2645 57.3284 40.7387 178.5416 8 L 4.3786 8.1316 119.5719 57.5793 41.6593 179.1470 9 I 3.6434 8.3169 120.6946 64.4749 36.9502 177.5807 10 Y 4.1831 7.7600 117.3013 60.4555 37.2921 178.8272 11 S 3.1962 7.2288 114.9947 60.4209 62.2087 176.0322 12 L 4.4152 7.4767 122.6412 57.6094 41.3354 178.8463 13 H 4.1486 8.8329 118.4835 59.0211 29.7929 177.2955 14 K 3.6910 7.9445 120.4687 59.5634 31.4067 179.3028 15 Q 3.9447 7.7222 117.9250 59.1028 28.6698 178.7693 16 I 3.6948 7.4053 120.8300 64.1479 36.9532 178.0777 17 N 4.2267 8.7508 118.8053 56.5816 38.8145 176.9019 18 R 4.1236 8.0437 119.6483 59.4361 30.2458 179.3359 19 G 3.5383 7.7393 104.6665 47.6362 0.0000 175.4052 20 L 3.9637 8.2451 123.6210 57.8442 42.0437 179.0921 21 K 3.9812 8.9035 120.6059 59.2736 32.1408 178.6827 22 K 3.9366 8.1650 120.0310 59.4761 32.0022 178.8057 23 I 3.7361 7.8615 120.0972 64.5585 36.8554 178.6112 24 V 4.2496 7.2963 118.4361 65.1176 31.4278 177.5511 25 L 4.2067 8.5515 120.1675 57.4503 41.9475 178.6931 26 G 3.8619 8.4579 105.2661 45.3866 0.0000 173.6502 27 W 4.5490 7.6792 130.1427 55.5205 33.9689 174.9142 28 A 3.9228 7.8717 124.5437 52.7751 18.1244 177.4495 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 S 8.32 4.42 0.00 3.88 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 2 G 8.37 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 7.98 5.09 0.00 2.67 2.63 0.00 0.00 7.09 7.45 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 4 Y 8.11 4.62 0.00 3.27 3.23 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 5 V 6.40 3.16 1.79 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 -0.19 0.00 0.00 0.68 0.00 0.00 6 L 7.65 3.95 0.00 1.58 1.68 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.04 4.55 0.00 3.03 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 8 L 8.13 4.38 0.00 2.04 1.75 1.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.32 3.64 2.12 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 1.78 0.88 0.91 0.00 0.00 10 Y 7.76 4.18 0.00 3.31 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 11 S 7.23 3.20 0.00 3.09 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 12 L 7.48 4.42 0.00 1.77 1.68 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.83 4.15 0.00 3.24 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.94 3.69 0.00 1.81 1.78 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.64 7.81 15 Q 7.72 3.94 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 16 I 7.41 3.69 1.89 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 1.38 0.57 0.84 0.00 0.00 17 N 8.75 4.23 0.00 2.86 2.78 0.00 0.00 7.09 6.35 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 18 R 8.04 4.12 0.00 2.13 1.97 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 19 G 7.74 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.25 3.96 0.00 1.74 1.87 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.90 3.98 0.00 1.88 1.78 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 22 K 8.17 3.94 0.00 1.96 1.97 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.64 7.81 23 I 7.86 3.74 2.08 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 1.42 0.58 0.95 0.00 0.00 24 V 7.30 4.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.97 0.00 0.00 25 L 8.55 4.21 0.00 1.69 1.88 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.46 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 27 W 7.68 4.55 0.00 3.34 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 28 A 7.87 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00