NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5426 8.1627 120.2772 55.0942 34.8088 172.5742 2 K 4.7155 8.4670 119.7386 55.1215 35.4463 174.8351 3 I 4.8340 8.4995 128.4822 59.9212 41.4476 174.8610 4 K 5.2559 8.4402 121.1045 56.3929 34.1577 172.0896 5 L 3.9684 8.2824 129.0077 56.3493 42.8165 176.7753 6 V 4.5434 8.7931 118.0453 60.8850 33.4508 176.0475 7 R 4.5486 7.8030 119.2533 54.1192 33.8253 174.7973 8 S 4.0633 8.8770 116.9055 58.8038 62.5305 174.1984 9 V 3.7118 8.7276 127.0989 66.0456 31.5841 175.9608 10 I 3.5367 7.7411 118.5108 61.9547 37.6709 174.8164 11 G 4.0975 8.6867 108.6506 46.4603 0.0000 173.3237 12 R 4.7350 7.2579 115.3921 52.7077 33.5252 174.8287 13 P 4.5014 0.0000 0.0000 62.3526 33.2128 177.6827 14 G 3.7908 8.7373 108.0383 48.3925 0.0000 175.3310 15 N 4.2579 8.2968 118.9612 56.3853 38.4772 177.3028 16 Q 4.0240 8.0299 118.4349 58.9355 28.6768 178.6622 17 V 3.5891 7.4097 117.8569 66.0813 31.6468 177.9344 18 K 4.0943 8.3621 118.8254 59.5807 31.8724 179.2764 19 T 3.8665 8.5373 116.5185 66.6140 67.8736 176.5913 20 V 3.6998 8.0154 120.5081 65.7932 31.5450 177.1617 21 Q 3.9672 8.5554 119.7774 58.7755 28.6094 177.7977 22 A 3.9670 7.8237 121.4128 55.5476 18.7908 179.1882 23 L 3.9295 7.5183 117.0034 56.0219 42.1679 178.8893 24 G 3.9268 8.5633 107.2124 45.3785 0.0000 173.6183 25 L 4.4184 7.2762 118.2402 54.0594 42.5284 176.9060 26 R 4.5410 8.4628 119.3400 56.7935 32.8193 176.9204 27 K 4.5260 8.0379 116.8359 54.6422 36.0656 174.9262 28 I 3.8692 8.2986 116.8382 62.4007 37.7810 175.2475 29 G 4.0501 8.9247 111.7388 45.8128 0.0000 173.7057 30 D 4.8175 8.1519 119.8674 54.6073 42.6144 175.0094 31 S 4.9101 7.3105 113.1687 58.6139 65.6048 173.8453 32 R 4.5516 7.7952 117.4961 56.2323 32.4427 173.1340 33 E 4.7196 8.7262 121.7792 55.6600 30.7805 175.7493 34 V 4.5050 8.7003 125.6437 59.3638 33.9848 175.4988 35 S 4.0156 8.8656 118.0907 59.3315 62.7505 174.5843 36 D 4.7053 8.4248 128.9142 52.9121 39.6760 174.9492 37 T 4.6723 7.3185 111.8727 58.5492 72.9003 173.3904 38 P 4.0334 0.0000 0.0000 65.5267 32.0881 177.8198 39 A 3.9554 8.0882 121.3270 54.7874 18.3101 179.6902 40 V 3.6283 7.7234 115.9420 65.8749 31.6649 178.1900 41 R 4.0319 8.3839 118.7209 59.0183 29.7910 179.1763 42 G 3.5766 8.4784 105.7434 48.2340 0.0000 175.1755 43 M 3.8949 7.6251 120.2450 58.5076 31.8202 178.7188 44 V 3.6510 7.8845 117.6158 66.1208 31.7305 177.9074 45 K 3.8462 8.2172 117.8032 60.1669 31.8042 178.7968 46 T 3.8770 7.8479 114.5225 66.2611 69.0512 176.9905 47 V 4.2008 7.4272 112.6178 60.2751 32.1287 178.2848 48 K 3.7633 7.5402 121.6938 60.0969 32.3501 177.6975 49 H 4.1330 8.0349 114.9935 57.6927 28.7711 175.3027 50 L 4.5187 7.9600 119.7397 55.5977 43.7340 176.4750 51 L 4.5958 7.3266 117.2175 53.0265 42.9213 177.7064 52 E 4.2157 8.0722 125.5496 54.3544 27.1537 175.2929 53 V 3.3768 7.8252 121.3731 62.6899 31.5005 175.8650 54 Q 3.4677 8.4650 122.1176 58.7699 28.7619 176.8567 55 E 4.3303 7.8227 123.8666 57.0526 30.5060 175.4128 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 8.16 4.54 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 2 K 8.47 4.72 0.00 2.08 1.64 0.00 1.79 0.00 0.00 2.09 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.59 7.81 3 I 8.50 4.83 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.08 0.90 0.00 0.00 4 K 8.44 5.26 0.00 1.78 1.90 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.27 7.81 5 L 8.28 3.97 0.00 1.78 1.65 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.79 4.54 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 0.80 0.00 0.00 1.08 0.00 0.00 7 R 7.80 4.55 0.00 1.74 1.80 0.00 3.41 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 8 S 8.88 4.06 0.00 3.82 3.81 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 9 V 8.73 3.71 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 0.94 0.00 0.00 0.93 0.00 0.00 10 I 7.74 3.54 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.91 0.00 0.00 11 G 8.69 4.10 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 0.00 0.00 0.00 12 R 7.26 4.73 0.00 2.06 1.83 0.00 3.38 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 13 P 0.00 4.50 0.00 2.16 1.98 0.00 3.64 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 2.12 2.16 0.00 14 G 8.74 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.26 0.00 2.74 2.92 0.00 0.00 7.05 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 16 Q 8.03 4.02 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 17 V 7.41 3.59 2.30 0.00 0.00 0.00 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 0.96 0.00 0.00 18 K 8.36 4.09 0.00 2.03 1.80 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.62 7.81 19 T 8.54 3.87 4.34 0.00 0.00 0.00 0.00 0.00 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 20 V 8.02 3.70 2.24 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 0.99 0.00 0.00 0.93 0.00 0.00 21 Q 8.56 3.97 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 22 A 7.82 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 3.93 0.00 1.77 1.77 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.56 3.93 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 0.00 0.00 0.00 25 L 7.28 4.42 0.00 1.68 1.60 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.46 4.54 0.00 1.87 1.92 0.00 3.33 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 27 K 8.04 4.53 0.00 1.76 1.65 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 28 I 8.30 3.87 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.91 0.00 0.00 29 G 8.92 4.05 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 0.00 0.00 0.00 30 D 8.15 4.82 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.31 4.91 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 4.55 0.00 1.96 2.07 0.00 2.76 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.00 33 E 8.73 4.72 0.00 1.98 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 2.26 2.36 0.00 34 V 8.70 4.51 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 0.77 0.00 0.00 0.93 0.00 0.00 35 S 8.87 4.02 0.00 3.84 3.84 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 0.00 0.00 0.00 0.00 36 D 8.42 4.71 0.00 2.67 2.57 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 37 T 7.32 4.67 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 38 P 0.00 4.03 0.00 2.29 2.31 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 39 A 8.09 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.63 2.23 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 1.13 0.00 0.00 0.93 0.00 0.00 41 R 8.38 4.03 0.00 1.93 1.96 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 42 G 8.48 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.63 3.89 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.97 0.00 44 V 7.88 3.65 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 1.02 0.00 0.00 0.96 0.00 0.00 45 K 8.22 3.85 0.00 2.02 1.88 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.56 7.81 46 T 7.85 3.88 4.56 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 1.21 0.00 0.00 47 V 7.43 4.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 48 K 7.54 3.76 0.00 1.96 1.78 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 49 H 8.03 4.13 0.00 3.26 3.47 0.00 5.75 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 50 L 7.96 4.52 0.00 1.65 1.70 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.33 4.60 0.00 1.64 1.57 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.07 4.22 0.00 2.01 1.96 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 0.00 2.27 2.25 0.00 53 V 7.83 3.38 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 0.92 0.00 0.00 54 Q 8.47 3.47 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.46 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 55 E 7.82 4.33 0.00 1.95 1.76 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 2.20 2.27 0.00