NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1877 8.1849 122.4973 54.9527 44.0382 177.2179 2 K 4.2522 8.5214 126.8219 56.4605 31.3016 173.8557 3 C 4.9958 10.2204 123.3747 55.4724 46.0044 173.5936 4 N 4.5814 8.6124 118.7972 53.3714 37.8391 174.7970 5 K 4.2049 8.5572 126.1108 54.6019 32.3844 176.7187 6 L 3.4690 8.5595 132.9161 56.3754 41.3969 174.2584 7 V 4.3189 8.0444 109.8845 63.6944 33.1685 175.5387 8 P 3.3461 0.0000 0.0000 64.1308 31.9556 176.7043 9 L 4.0159 6.6331 121.6463 53.5438 40.1438 176.8821 10 F 4.3190 6.6646 117.8037 58.4298 39.9797 174.8110 11 Y 3.5157 9.0611 121.1459 58.1638 37.5637 170.2853 12 K 4.4387 8.0731 120.6847 55.3605 36.6824 175.2666 13 T 4.3941 8.2169 117.2878 64.2732 68.8851 174.3751 14 C 4.9688 8.1531 118.5222 54.7693 42.6583 172.1561 15 P 4.5531 0.0000 0.0000 62.8831 32.5993 175.0760 16 A 3.8944 8.6441 125.5206 52.6377 16.0191 180.0488 17 G 3.8561 8.3843 98.9646 45.1363 0.0000 172.9368 18 K 4.8771 7.5882 118.5091 54.3279 34.1553 175.3748 19 N 4.7329 8.6301 119.9415 54.2084 40.6281 174.9544 20 L 4.5231 7.4828 118.2912 54.0911 43.7114 176.9982 21 C 4.7214 8.7027 120.1877 55.6718 41.0885 173.0309 22 Y 4.7240 8.6757 126.0490 57.1652 39.9651 174.1939 23 K 4.0505 7.4391 116.6543 56.1250 35.3262 174.1209 24 M 4.1470 8.5016 123.6004 55.8298 32.0550 175.0529 25 F 5.0955 8.6186 129.4749 57.1867 37.9364 173.5776 26 M 4.2676 7.5870 121.4071 54.0006 31.5441 177.5457 27 V 3.3857 8.2012 122.9427 65.0324 32.3063 177.7461 28 S 3.9634 7.8273 115.1744 61.6903 62.9058 175.3436 29 N 4.4391 7.9449 116.9396 55.5472 37.6136 174.7027 30 K 4.1392 6.8516 113.6503 55.3945 36.4935 174.6816 31 M 3.9601 8.5381 119.6678 56.2007 31.4707 176.4760 32 V 4.1071 8.0850 125.1819 59.6021 31.7287 171.2561 33 P 4.3574 0.0000 0.0000 63.2669 31.9335 176.5773 34 V 3.9361 8.6545 128.2650 63.4505 32.3817 178.9949 35 K 4.3214 9.4259 117.8699 56.3798 33.7475 176.5970 36 R 4.8379 9.6516 123.5433 54.9845 32.7679 174.6693 37 G 4.5663 8.8440 106.2546 43.1008 0.0000 173.4351 38 C 4.4067 8.5699 119.0534 57.1153 42.3617 171.3614 39 I 3.7048 7.9947 122.9999 60.9046 39.8031 173.1394 40 D 4.3318 8.2923 127.2538 54.2447 44.7434 174.9326 41 V 3.7148 7.8631 118.9523 63.5751 31.5353 174.0910 42 C 4.9410 8.6206 125.0661 57.4880 46.3836 172.1435 43 P 4.8880 0.0000 0.0000 60.0323 29.8984 178.9521 44 K 3.6640 8.7150 116.7210 57.9834 30.7878 173.3360 45 S 4.4625 8.2200 112.5602 58.7323 66.4685 173.5594 46 S 4.2133 7.9343 122.0177 57.9926 63.3238 174.3958 47 L 4.0850 7.3630 130.7978 54.8080 47.3714 174.7950 48 L 4.0458 7.9927 122.5915 57.2772 42.8057 177.0697 49 V 4.3646 7.4340 118.6372 61.4516 33.2882 173.8617 50 K 4.3998 8.1155 126.7291 56.1013 34.8345 175.1996 51 Y 5.1340 8.0489 116.0480 55.3093 41.9314 176.0092 52 V 4.0486 8.3161 123.0043 61.2423 31.8749 175.8682 53 C 4.8505 8.5972 124.5387 57.1077 40.3769 172.1250 54 C 4.9077 8.3979 113.5491 55.0716 44.2997 174.4365 55 N 4.4033 8.9424 120.5283 54.7448 38.5399 176.0557 56 T 4.0390 7.6618 116.3143 63.0285 68.9773 175.0793 57 D 4.4601 8.8674 126.5702 56.3509 41.0277 176.5112 58 R 4.4334 7.2947 114.9306 54.5572 28.7803 173.0292 59 C 4.9291 8.3997 115.0869 55.0180 43.4575 174.2285 60 N 4.5759 8.1849 123.0219 53.7570 38.3691 174.7244 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 L 8.18 4.19 0.00 1.64 1.90 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.52 4.25 0.00 1.80 1.90 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.58 7.81 3 C 10.22 5.00 0.00 2.94 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 4 N 8.61 4.58 0.00 2.84 3.07 0.00 0.00 7.04 7.74 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 5 K 8.56 4.20 0.00 1.79 1.77 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.43 7.81 6 L 8.56 3.47 0.00 1.84 1.40 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.04 4.32 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 1.08 0.00 0.00 0.98 0.00 0.00 8 P 0.00 3.35 0.00 1.92 1.99 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 1.83 1.89 0.00 9 L 6.63 4.02 0.00 1.42 1.57 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 F 6.66 4.32 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.06 3.52 0.00 3.43 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.44 0.00 1.86 1.70 0.00 1.45 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.32 7.81 13 T 8.22 4.39 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 1.23 0.00 0.00 14 C 8.15 4.97 0.00 2.90 2.92 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 0.00 0.00 0.00 0.00 15 P 0.00 4.55 0.00 2.20 2.17 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 16 A 8.64 3.89 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.38 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 18 K 7.59 4.88 0.00 1.75 1.82 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.45 7.81 19 N 8.63 4.73 0.00 2.68 2.79 0.00 0.00 7.43 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 20 L 7.48 4.52 0.00 1.52 1.62 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.70 4.72 0.00 3.10 3.12 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 22 Y 8.68 4.72 0.00 2.97 2.65 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 23 K 7.44 4.05 0.00 1.77 1.81 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.39 7.81 24 M 8.50 4.15 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.65 0.00 25 F 8.62 5.10 0.00 2.95 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 26 M 7.59 4.27 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 27 V 8.20 3.39 1.91 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 1.03 0.00 0.00 0.80 0.00 0.00 28 S 7.83 3.96 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.44 0.00 2.80 2.91 0.00 0.00 5.84 7.10 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 30 K 6.85 4.14 0.00 1.64 1.67 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.29 7.81 31 M 8.54 3.96 0.00 1.81 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 32 V 8.09 4.11 2.03 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 0.68 0.00 0.00 0.92 0.00 0.00 33 P 0.00 4.36 0.00 2.01 2.10 0.00 3.76 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 34 V 8.65 3.94 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 0.99 0.00 0.00 35 K 9.43 4.32 0.00 1.92 1.91 0.00 1.84 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.54 7.81 36 R 9.65 4.84 0.00 1.99 2.07 0.00 3.19 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 37 G 8.84 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.57 4.41 0.00 2.97 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.99 3.70 1.59 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.25 0.69 0.00 0.00 40 D 8.29 4.33 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.71 1.86 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 0.62 0.00 0.00 0.85 0.00 0.00 42 C 8.62 4.94 0.00 2.99 3.10 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 0.00 0.00 0.00 0.00 43 P 0.00 4.89 0.00 2.26 1.44 0.00 4.00 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 44 K 8.71 3.66 0.00 2.04 1.93 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.46 7.81 45 S 8.22 4.46 0.00 3.81 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 46 S 7.93 4.21 0.00 4.00 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 47 L 7.36 4.09 0.00 1.53 1.40 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.99 4.05 0.00 1.71 1.66 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.43 4.36 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 0.91 0.00 0.00 0.92 0.00 0.00 50 K 8.12 4.40 0.00 1.81 1.89 0.00 1.54 0.00 0.00 1.98 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.65 1.59 7.81 51 Y 8.05 5.13 0.00 3.03 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 52 V 8.32 4.05 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 -0.22 0.00 0.00 53 C 8.60 4.85 0.00 2.92 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.40 4.91 0.00 3.04 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 55 N 8.94 4.40 0.00 2.85 2.98 0.00 0.00 6.24 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.66 4.04 4.23 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 1.20 0.00 0.00 57 D 8.87 4.46 0.00 2.67 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 58 R 7.29 4.43 0.00 1.95 1.86 0.00 2.93 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 59 C 8.40 4.93 0.00 3.03 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 60 N 8.18 4.58 0.00 2.80 2.83 0.00 0.00 6.91 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00