NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4398 8.2493 123.6113 52.3200 20.0340 175.6747 2 V 3.4557 8.1474 113.9689 63.6073 32.1329 176.4637 3 Y 3.6658 8.8738 118.7470 60.6791 38.6243 177.5064 4 Y 4.8216 7.6777 115.2543 57.9012 38.2540 174.3557 5 C 4.5001 8.0736 121.8652 58.4121 32.0422 173.4484 6 I 4.4379 8.1669 121.9126 61.0669 38.0456 175.2092 7 L 4.7836 7.6589 120.2774 53.2992 44.4227 175.1460 8 P 4.3364 0.0000 0.0000 65.2742 32.1017 177.2266 9 K 4.4888 7.6600 116.6214 54.5898 31.1875 174.4406 10 C 4.1939 7.4782 120.6241 59.8414 33.0546 172.4830 11 A 4.6583 7.4563 123.2227 50.4479 20.6332 176.9750 12 A 4.0681 8.7690 125.0336 54.9229 18.5527 179.2453 13 A 4.5553 7.8754 117.2145 51.8266 19.5203 176.7278 14 A 3.8617 8.0956 118.9680 54.5039 14.8944 178.2506 15 N 4.6672 7.4913 116.7810 54.0960 38.7399 176.0521 16 V 4.0627 8.3334 119.3661 63.5434 32.8440 177.8682 17 A 4.1358 8.1547 121.9469 54.2288 18.1538 177.8025 18 A 4.4416 7.8138 116.3866 53.4587 20.4782 177.9501 19 H 4.2528 7.7433 114.8238 59.3866 29.3227 177.1351 20 T 3.7817 8.2554 113.6861 64.3410 67.2995 175.2185 21 T 4.0599 7.9230 115.0177 64.7628 67.3204 173.7572 22 H 4.7150 7.9052 115.0959 56.7128 29.9196 175.0820 23 C 4.3930 7.4332 119.4165 58.7758 28.5974 173.9245 24 F 4.6629 8.0582 120.5098 56.6574 38.4302 175.9449 25 K 4.2027 8.0164 126.0293 58.1885 31.9567 175.5788 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 A 8.25 4.44 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 2 V 8.15 3.46 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 0.61 0.00 0.00 0.71 0.00 0.00 3 Y 8.87 3.67 0.00 2.54 2.61 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 4 Y 7.68 4.82 0.00 3.01 2.86 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 5 C 8.07 4.50 0.00 2.83 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 6 I 8.17 4.44 1.86 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 1.35 0.74 0.91 0.00 0.00 7 L 7.66 4.78 0.00 1.60 1.56 0.88 1.07 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 8 P 0.00 4.34 0.00 2.16 2.16 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 9 K 7.66 4.49 0.00 1.71 1.76 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.36 7.81 10 C 7.48 4.19 0.00 2.92 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 11 A 7.46 4.66 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.07 1.29 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 0.00 0.00 0.00 13 A 7.88 4.56 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 14 A 8.10 3.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.49 4.67 0.00 3.02 2.95 0.00 0.00 6.69 7.57 0.00 0.00 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 V 8.33 4.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.00 0.00 0.00 17 A 8.15 4.14 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 4.44 1.29 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 0.00 0.00 0.00 19 H 7.74 4.25 0.00 3.30 3.55 0.00 5.82 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 20 T 8.26 3.78 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 1.24 0.00 0.00 21 T 7.92 4.06 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 22 H 7.91 4.72 0.00 3.27 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 7.43 4.39 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 4.66 0.00 3.15 3.14 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 25 K 8.02 4.20 0.00 1.99 1.86 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.51 7.81