NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3688 8.3049 120.3469 55.4044 33.7761 175.9427 2 L 4.4120 7.6716 116.7716 53.0037 41.8457 176.8033 3 T 3.8676 8.3374 112.4100 64.9995 69.8546 176.6069 4 R 3.5230 7.3547 121.4267 58.8908 30.4393 176.8675 5 F 3.6795 7.1887 113.6459 56.8990 39.1995 175.4759 6 L 4.7682 8.6823 121.0688 52.4330 43.8140 176.6048 7 G 4.5152 8.6381 115.8740 43.5249 0.0000 170.9513 8 P 4.2922 0.0000 0.0000 65.7565 31.0151 178.7032 9 R 3.7878 7.8920 117.8943 59.6243 30.0380 178.0385 10 Y 4.3887 7.7701 115.8865 60.9926 37.9550 178.3589 11 R 4.0579 8.0642 119.0984 59.3661 30.1561 179.0909 12 Q 4.0601 8.1233 117.6903 58.9302 28.1651 178.7510 13 L 4.1702 8.2750 119.9193 57.4419 41.4944 179.2758 14 A 4.1605 8.2249 120.9345 55.4996 18.1732 179.9055 15 R 3.9337 7.9299 115.0020 59.5578 30.1670 178.8333 16 N 4.3466 8.0996 115.5378 55.5041 38.8466 176.7328 17 W 4.7398 7.9035 118.0216 57.3843 29.5878 178.8908 18 V 3.7575 7.6853 120.3875 64.5236 30.7620 176.6257 19 P 4.2992 0.0000 0.0000 65.2834 31.0494 178.8518 20 T 3.8549 7.9601 113.9896 66.6807 68.6200 176.4085 21 A 4.2523 8.7689 123.3976 55.4072 18.2996 179.8288 22 S 4.2236 8.3213 112.7043 61.4891 63.3198 176.7521 23 L 3.9356 8.2121 122.7386 57.2553 41.2188 179.4993 24 W 4.5633 8.5918 119.5161 59.6662 28.9705 178.6100 25 G 3.7731 8.4175 105.6252 47.9352 0.0000 175.4715 26 A 4.0662 8.3392 123.2651 54.8232 18.4028 179.8728 27 V 3.6880 7.9489 116.8373 66.1434 31.6565 178.5663 28 G 3.6794 8.5196 105.3354 47.7537 0.0000 175.5868 29 A 4.1112 8.2330 123.5715 55.0155 18.4030 179.9993 30 V 3.7894 7.9514 116.6755 65.8362 31.5622 178.5470 31 G 3.7965 8.3822 105.7214 47.8657 0.0000 175.4983 32 L 4.0646 8.5509 123.8692 57.6241 42.0778 179.1896 33 V 3.9064 8.2508 118.3257 65.7949 31.4251 177.7799 34 W 4.2384 8.7499 128.1551 60.6968 30.4243 177.9030 35 A 3.2947 8.1298 119.3275 54.2061 17.8640 178.6371 36 T 4.1110 7.5651 105.4203 60.6616 70.2907 174.1662 37 D 4.3433 7.6152 121.2280 55.4024 39.1118 176.1660 38 W 4.4531 8.7614 129.0691 58.4337 28.6927 180.4336 39 R 3.0733 7.3745 118.3037 57.2691 32.2283 178.4759 40 L 3.6976 7.2390 124.0270 57.9308 42.5881 178.9875 41 I 3.8508 7.2168 118.6432 63.7579 37.4667 177.8317 42 L 4.3419 7.7731 118.2707 56.5877 41.8649 178.0289 43 D 4.5913 8.1041 118.3557 56.7496 40.7915 177.2008 44 W 4.4220 8.1412 116.5098 56.5447 29.4496 176.0721 45 V 4.2098 7.5873 119.3760 60.7653 31.3696 173.8169 46 P 4.3468 0.0000 0.0000 64.8368 31.5825 176.1993 47 Y 4.5908 7.8100 117.3188 56.9073 40.9771 174.1998 48 I 2.8023 6.6990 121.8708 62.7430 34.1055 174.7507 49 N 5.0881 7.5684 117.4325 52.1206 39.1710 175.7712 50 G 4.1177 7.5996 102.9916 45.9464 0.0000 173.1871 51 K 4.2557 8.2016 118.1195 57.4602 33.6804 177.2227 52 F 3.7086 7.8855 117.3412 58.4901 39.8262 174.6425 53 K 4.1484 7.8158 125.5424 56.7530 32.1314 176.0866 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 M 8.30 4.37 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 2 L 7.67 4.41 0.00 1.91 1.75 0.95 0.48 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 3 T 8.34 3.87 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 4 R 7.35 3.52 0.00 1.60 1.17 0.00 2.85 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.37 0.00 5 F 7.19 3.68 0.00 2.85 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 6 L 8.68 4.77 0.00 1.75 1.61 0.94 0.82 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 7 G 8.64 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.28 2.35 0.00 3.75 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 2.08 2.04 0.00 9 R 7.89 3.79 0.00 1.72 1.50 0.00 3.05 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 10 Y 7.77 4.39 0.00 3.40 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 11 R 8.06 4.06 0.00 2.03 2.03 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 12 Q 8.12 4.06 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 13 L 8.27 4.17 0.00 2.00 1.92 0.99 0.96 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 14 A 8.22 4.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.93 0.00 1.97 2.02 0.00 3.18 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 16 N 8.10 4.35 0.00 2.55 2.48 0.00 0.00 7.03 7.84 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 17 W 7.90 4.74 0.00 3.61 3.28 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 18 V 7.69 3.76 2.33 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 0.89 0.00 0.00 1.00 0.00 0.00 19 P 0.00 4.30 0.00 2.14 2.12 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 20 T 7.96 3.85 4.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 21 A 8.77 4.25 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.22 0.00 4.12 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 0.00 23 L 8.21 3.94 0.00 1.75 1.50 0.86 0.74 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 24 W 8.59 4.56 0.00 3.51 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 G 8.42 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.34 4.07 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 27 V 7.95 3.69 2.54 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 1.25 0.00 0.00 0.85 0.00 0.00 28 G 8.52 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.79 2.21 0.00 0.00 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 1.02 0.00 0.00 31 G 8.38 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.55 4.06 0.00 1.96 1.80 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.25 3.91 2.50 0.00 0.00 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 1.27 0.00 0.00 34 W 8.75 4.24 0.00 3.47 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.29 1.23 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 0.00 0.00 36 T 7.57 4.11 4.07 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 1.08 0.00 0.00 37 D 7.62 4.34 0.00 2.74 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 38 W 8.76 4.45 0.00 3.33 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.37 3.07 0.00 2.04 2.23 0.00 3.64 0.00 0.00 3.53 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 40 L 7.24 3.70 0.00 0.82 1.22 0.65 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.22 3.85 1.71 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.42 0.91 0.00 0.00 42 L 7.77 4.34 0.00 1.82 1.79 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.10 4.59 0.00 3.01 3.11 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 0.00 0.00 0.00 0.00 44 W 8.14 4.42 0.00 3.36 3.09 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 0.00 0.00 0.00 0.00 45 V 7.59 4.21 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 0.90 0.00 0.00 1.05 0.00 0.00 46 P 0.00 4.35 0.00 2.12 2.08 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 47 Y 7.81 4.59 0.00 2.86 2.87 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 48 I 6.70 2.80 1.85 0.00 0.00 0.94 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 0.25 0.89 0.00 0.00 49 N 7.57 5.09 0.00 2.77 2.84 0.00 0.00 7.12 7.65 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 50 G 7.60 4.12 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 0.00 0.00 0.00 51 K 8.20 4.26 0.00 1.78 1.88 0.00 1.95 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 52 F 7.89 3.71 0.00 3.09 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.82 4.15 0.00 1.83 1.67 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.39 7.81