NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3433 8.2549 119.7150 56.1490 32.4224 175.9519 5 I 3.8784 7.6150 119.1451 61.0672 38.1826 173.8410 6 R 5.2761 9.3070 124.8691 54.4673 35.1777 173.7764 7 K 5.0053 9.4102 121.0043 53.9268 36.5139 174.4075 8 C 5.0520 8.1627 118.5274 55.4237 32.2822 171.8606 9 P 4.3656 0.0000 0.0000 63.8738 32.0328 176.2863 10 K 3.9040 8.3852 117.9928 56.6291 29.7463 172.8813 11 C 4.5902 7.9721 125.2977 58.6558 36.6522 174.3332 12 G 3.8931 8.2201 105.6623 46.0923 0.0000 172.4165 13 R 4.3660 7.2918 118.8564 55.4491 31.2856 175.0994 14 Y 4.5640 8.6840 124.0019 58.0842 39.3929 174.3494 15 T 4.5587 9.0407 116.8627 61.9946 71.2633 173.5309 16 L 4.4941 8.5008 121.8878 54.9521 43.0101 177.5488 17 K 4.3070 7.8319 117.7946 56.1723 32.6310 176.7026 18 E 4.3807 8.4427 118.0240 56.9002 30.7658 176.7190 19 V 5.1866 7.7124 112.5806 58.2995 35.0029 174.9532 20 C 3.9376 8.9907 120.7164 58.4597 29.2347 172.3483 21 P 4.3033 0.0000 0.0000 65.7547 30.4946 177.5524 22 V 3.6320 7.0549 116.4077 65.9312 32.6091 180.2444 23 C 4.6447 7.6605 127.5449 59.8347 28.3046 175.3015 24 G 4.1439 8.4541 113.5215 46.4580 0.0000 172.0209 25 E 4.0554 8.0782 119.7809 56.4366 31.0241 176.4219 26 K 4.4652 8.4733 123.6140 55.1057 31.7077 176.1207 27 T 4.2393 8.2528 118.1111 62.0066 69.9563 173.0659 28 K 4.8477 9.2205 122.1958 54.4500 34.9134 175.6110 29 V 3.9547 8.2881 120.8473 62.0508 31.5197 176.5874 30 A 4.3038 8.7823 128.2186 55.1133 18.8280 177.9096 31 H 4.4796 7.5460 111.0674 54.8045 29.5185 173.6963 32 P 4.5921 0.0000 0.0000 61.3527 32.3016 174.4264 33 P 4.4116 0.0000 0.0000 62.5262 31.8491 176.7983 34 R 4.2181 8.3106 119.5682 56.7367 30.6585 176.0271 35 F 4.9087 8.3372 120.6760 56.7764 42.7340 173.8121 36 S 4.5601 6.9077 119.2165 55.5894 65.9868 173.0852 37 P 4.1415 0.0000 0.0000 65.7062 31.3615 177.4762 38 E 3.7803 7.5866 118.0009 58.0648 30.0605 176.4384 39 D 3.9864 7.8256 115.2774 53.7208 39.6158 170.4091 40 P 4.0716 0.0000 0.0000 64.4395 32.2788 176.4125 41 Y 3.7612 8.5108 118.7177 58.8188 35.6675 171.3587 42 G 4.0072 8.0693 110.9207 47.2666 0.0000 175.6040 43 E 3.9025 8.2749 120.8487 59.6361 29.6423 178.4338 44 Y 4.0213 8.3810 116.5594 60.5340 37.9576 178.0449 45 R 4.0400 8.0295 119.6845 59.4855 30.3142 178.5976 46 R 4.0368 8.2955 118.0155 59.1092 30.0569 179.2755 47 R 3.9074 7.9100 117.6512 59.0369 30.1197 178.8190 48 W 4.3754 8.1925 129.3751 59.9408 30.6519 178.1962 49 K 4.1661 8.5473 118.4932 59.4625 31.4095 179.4331 50 R 3.9322 8.6139 119.0237 59.1699 29.4684 178.9595 51 E 3.8246 7.9496 116.6917 59.4175 29.5743 179.1284 52 V 3.4408 7.1586 118.6521 65.3244 31.7543 177.6658 53 L 4.1173 8.2936 118.4766 55.9866 41.9004 177.8172 54 G 3.8564 7.7005 105.6033 45.7793 0.0000 173.4333 55 I 3.8635 7.4362 124.8198 61.0344 37.9133 175.4920 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 4 R 8.25 4.34 0.00 1.85 2.09 0.00 3.36 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 5 I 7.62 3.88 1.92 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 0.89 1.08 0.00 0.00 6 R 9.31 5.28 0.00 1.90 1.84 0.00 3.08 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 7 K 9.41 5.01 0.00 0.84 1.23 0.00 1.25 0.00 0.00 0.77 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.00 0.73 7.81 8 C 8.16 5.05 0.00 2.95 2.93 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 9 P 0.00 4.37 0.00 2.20 2.03 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 10 K 8.39 3.90 0.00 1.80 1.92 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.35 7.81 11 C 7.97 4.59 0.00 2.93 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 12 G 8.22 3.89 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 0.00 0.00 0.00 13 R 7.29 4.37 0.00 2.00 1.78 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 14 Y 8.68 4.56 0.00 2.88 2.88 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 0.00 15 T 9.04 4.56 4.26 0.00 0.00 0.00 0.00 0.00 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 16 L 8.50 4.49 0.00 1.67 1.70 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.83 4.31 0.00 1.76 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.42 7.81 18 E 8.44 4.38 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 19 V 7.71 5.19 2.08 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 0.99 0.00 0.00 0.93 0.00 0.00 20 C 8.99 3.94 0.00 2.95 2.94 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 21 P 0.00 4.30 0.00 2.07 2.16 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 22 V 7.05 3.63 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 23 C 7.66 4.64 0.00 2.99 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.45 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 25 E 8.08 4.06 0.00 1.92 1.88 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 2.39 2.31 0.00 26 K 8.47 4.47 0.00 1.76 1.74 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 27 T 8.25 4.24 4.31 0.00 0.00 0.00 0.00 0.00 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 28 K 9.22 4.85 0.00 1.79 1.89 0.00 1.12 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.51 7.81 29 V 8.29 3.95 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 0.83 0.00 0.00 1.03 0.00 0.00 30 A 8.78 4.30 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.55 4.48 0.00 3.22 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.59 0.00 2.20 2.06 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 33 P 0.00 4.41 0.00 2.12 2.06 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 34 R 8.31 4.22 0.00 1.83 1.91 0.00 3.36 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 35 F 8.34 4.91 0.00 2.95 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 36 S 6.91 4.56 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.14 0.00 2.03 2.20 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 38 E 7.59 3.78 0.00 1.78 1.87 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 2.24 2.19 0.00 39 D 7.83 3.99 0.00 2.61 2.48 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 40 P 0.00 4.07 0.00 2.20 2.09 0.00 3.77 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 41 Y 8.51 3.76 0.00 3.34 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 42 G 8.07 4.01 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 0.00 0.00 0.00 43 E 8.27 3.90 0.00 2.01 1.88 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 2.12 1.85 0.00 44 Y 8.38 4.02 0.00 3.47 3.18 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 45 R 8.03 4.04 0.00 1.97 2.19 0.00 3.23 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 46 R 8.30 4.04 0.00 2.09 1.98 0.00 3.19 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 47 R 7.91 3.91 0.00 2.06 2.01 0.00 2.90 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 48 W 8.19 4.38 0.00 3.60 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 49 K 8.55 4.17 0.00 2.10 1.92 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.77 7.81 50 R 8.61 3.93 0.00 2.00 1.98 0.00 3.12 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 51 E 7.95 3.82 0.00 2.05 2.09 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 2.32 1.99 0.00 52 V 7.16 3.44 2.13 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 0.85 0.00 0.00 0.49 0.00 0.00 53 L 8.29 4.12 0.00 1.70 1.82 0.94 1.30 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 54 G 7.70 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 55 I 7.44 3.86 1.87 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 1.16 0.86 0.95 0.00 0.00