NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.2745 8.2549 119.0726 55.8133 29.9420 175.3972 9 C 4.3655 8.5171 122.4416 53.3856 40.2859 171.8132 10 P 4.1253 0.0000 0.0000 65.2818 31.9309 176.7370 11 C 4.6980 8.0320 116.4050 55.7843 40.0844 173.1281 12 R 4.1866 8.5644 122.7590 55.5366 31.9214 176.1363 13 F 4.9888 7.9894 115.3249 55.3095 42.7224 173.9000 14 F 5.2502 8.2806 117.4692 54.8855 40.8797 173.7309 15 E 4.6095 9.0827 123.2389 54.7308 31.1677 176.8800 16 S 4.4640 8.7453 121.8264 60.5093 64.2105 174.6401 17 H 4.7690 8.3297 119.8811 54.6978 27.1630 175.6057 18 V 4.5774 7.5137 111.1583 59.5237 35.6236 175.7640 19 A 4.5282 9.1777 127.3447 49.7657 21.5150 177.3518 20 R 2.0000 6.8989 119.3767 58.6682 30.0575 178.8950 21 A 3.9503 7.4164 119.0428 54.8083 18.7106 178.0192 22 N 4.4251 7.8973 113.0252 54.8394 39.0437 175.0593 23 V 4.4896 6.9280 117.8700 61.5430 32.7594 175.7318 24 K 4.3887 9.0822 127.5608 59.3439 32.6464 176.5750 25 H 5.4136 7.5618 112.2196 55.9808 31.4016 172.5393 26 L 5.2396 8.8409 118.5733 53.0240 44.4804 176.3956 27 K 4.5225 9.3012 121.0536 54.9131 35.4411 175.6482 28 I 4.6656 8.4273 127.1647 59.5505 37.5181 175.6799 29 L 4.0156 8.8027 128.6141 54.3268 42.0137 178.4544 30 N 4.6739 8.4840 123.7871 52.6887 38.0347 175.2820 31 T 4.6472 7.1870 112.4439 58.8488 69.0908 172.5731 32 P 4.4278 0.0000 0.0000 64.3744 32.5193 175.9046 33 A 4.0493 8.8387 122.7940 52.3726 16.5993 179.2677 34 C 4.5755 7.5627 112.5300 55.7877 41.2009 173.8033 35 A 3.9485 8.7558 127.8833 54.3299 18.2585 177.3904 36 L 4.6298 7.7507 115.6754 53.2990 43.2435 175.8900 37 Q 4.5974 8.5416 119.4355 55.5570 31.1003 174.1820 38 I 4.8180 7.7580 121.5471 60.1643 39.2719 174.3916 39 V 4.9077 8.8755 127.9151 60.9230 34.2273 173.9745 40 A 5.1267 9.2204 129.6653 50.2308 21.6590 175.2990 41 R 4.6540 8.7524 124.0115 55.1529 31.5401 175.5327 42 L 4.7828 8.8645 127.4723 54.0108 43.2485 177.0450 43 K 4.3333 8.9733 122.3351 57.4829 32.5202 177.0426 44 N 4.7557 9.0691 123.4693 53.7547 36.9678 175.2721 45 N 4.8400 7.5487 111.4341 51.3811 38.8831 174.5222 46 N 4.8290 8.0030 114.4021 54.3409 37.0282 174.4513 47 R 4.3242 7.3123 116.3735 56.2009 31.7292 175.4384 48 Q 5.1987 8.5347 119.8064 54.3989 31.2238 175.5949 49 V 4.6207 8.5805 116.2735 59.7158 36.5170 174.0847 50 C 5.1237 8.8940 121.4265 56.6352 41.5228 172.6996 51 I 5.1077 8.1608 116.6254 58.6652 40.3170 174.8585 52 D 4.3878 8.8443 123.9884 54.0215 41.5692 175.2857 53 P 4.3037 0.0000 0.0000 64.2002 31.4307 176.8961 54 K 4.1420 8.1174 118.1499 56.4884 32.7564 176.8825 55 L 3.8555 7.4674 120.9359 54.7533 41.7511 177.6714 56 K 3.7993 9.0159 125.1019 59.5684 31.9734 178.5273 57 W 4.7478 8.0571 117.0880 58.5599 27.9719 178.1178 58 I 3.2692 6.8655 121.6487 64.3672 36.3017 178.2209 59 Q 4.0215 7.2824 116.4451 59.0612 28.4150 178.1641 60 E 4.2073 8.0901 120.3858 59.3240 29.7852 178.1887 61 Y 4.1153 8.6823 120.4634 60.7901 39.0789 177.4647 62 L 3.9775 8.9160 119.0327 55.9843 41.1690 178.3505 63 E 3.4593 8.3468 113.4088 57.2434 29.3617 179.9866 64 K 4.1952 8.1196 122.0387 55.8268 32.5106 176.6873 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 8 R 8.25 4.27 0.00 1.85 1.85 0.00 3.23 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 9 C 8.52 4.37 0.00 3.01 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 10 P 0.00 4.13 0.00 2.20 2.21 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 11 C 8.03 4.70 0.00 3.16 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.56 4.19 0.00 1.53 1.35 0.00 3.12 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.71 0.00 13 F 7.99 4.99 0.00 3.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 5.25 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.08 4.61 0.00 2.06 1.89 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 2.23 2.35 0.00 16 S 8.75 4.46 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.33 4.77 0.00 3.38 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.51 4.58 2.29 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 0.88 0.00 0.00 1.26 0.00 0.00 19 A 9.18 4.53 1.11 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 0.00 0.00 20 R 6.90 2.00 0.00 1.12 1.37 0.00 3.41 0.00 0.00 3.61 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 21 A 7.42 3.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.43 0.00 2.80 2.82 0.00 0.00 6.43 7.03 0.00 0.00 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 V 6.93 4.49 1.84 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 0.81 0.00 0.00 0.90 0.00 0.00 24 K 9.08 4.39 0.00 1.73 1.88 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.45 7.81 25 H 7.56 5.41 0.00 3.32 3.48 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.84 5.24 0.00 1.65 1.67 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.30 4.52 0.00 1.65 1.72 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.51 7.81 28 I 8.43 4.67 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 1.39 0.83 0.91 0.00 0.00 29 L 8.80 4.02 0.00 1.58 1.61 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.48 4.67 0.00 2.66 2.75 0.00 0.00 6.86 7.70 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 31 T 7.19 4.65 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 32 P 0.00 4.43 0.00 2.05 2.01 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 33 A 8.84 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.56 4.58 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 3.95 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 L 7.75 4.63 0.00 1.63 1.61 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.54 4.60 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 38 I 7.76 4.82 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.85 0.00 0.00 39 V 8.88 4.91 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 0.87 0.00 0.00 0.96 0.00 0.00 40 A 9.22 5.13 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 41 R 8.75 4.65 0.00 1.71 1.44 0.00 3.14 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 42 L 8.86 4.78 0.00 1.61 1.54 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.97 4.33 0.00 1.64 1.73 0.00 1.98 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.43 7.81 44 N 9.07 4.76 0.00 2.87 2.98 0.00 0.00 6.71 8.00 0.00 0.00 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 N 7.55 4.84 0.00 2.81 2.99 0.00 0.00 6.27 6.96 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 46 N 8.00 4.83 0.00 2.90 2.93 0.00 0.00 6.99 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.31 4.32 0.00 1.60 1.84 0.00 3.06 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 48 Q 8.53 5.20 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 49 V 8.58 4.62 2.12 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 0.75 0.00 0.00 0.98 0.00 0.00 50 C 8.89 5.12 0.00 3.26 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 51 I 8.16 5.11 1.91 0.00 0.00 0.69 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 0.54 1.06 0.00 0.00 52 D 8.84 4.39 0.00 3.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.08 2.03 0.00 3.45 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 54 K 8.12 4.14 0.00 1.87 1.81 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.37 7.81 55 L 7.47 3.86 0.00 1.29 0.85 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.02 3.80 0.00 1.84 1.90 0.00 1.75 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.55 7.81 57 W 8.06 4.75 0.00 3.67 3.35 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 58 I 6.87 3.27 1.60 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.36 0.69 0.00 0.00 59 Q 7.28 4.02 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 60 E 8.09 4.21 0.00 2.40 2.14 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 2.47 2.45 0.00 61 Y 8.68 4.12 0.00 3.46 3.32 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 62 L 8.92 3.98 0.00 1.72 1.72 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.35 3.46 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 64 K 8.12 4.20 0.00 1.72 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 0.98 7.81