NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9304 8.3549 109.7353 45.0542 0.0000 175.0020 2 S 3.9338 9.0145 118.3133 61.1961 62.9267 174.6839 3 S 3.7008 8.0237 113.7205 59.9576 60.7254 172.1472 4 G 3.9132 7.4621 105.1881 44.0106 0.0000 174.1870 5 S 3.7618 7.7612 114.5838 58.5874 62.4797 172.2872 6 S 4.7575 7.5653 114.2197 58.0959 66.2788 174.4654 7 G 4.4554 7.9166 109.2793 46.9255 0.0000 171.6349 8 E 4.2925 8.9274 117.2838 57.6754 30.6663 176.2202 9 E 4.7001 7.6902 119.3712 54.4606 33.1618 174.7926 10 K 4.8095 8.7906 125.3032 56.0447 33.7154 176.3147 11 Y 4.9326 9.1172 123.1744 56.1696 41.6467 174.8405 12 V 4.9461 8.8235 119.4960 60.2052 34.7546 174.9694 13 T 4.7470 8.0678 113.4540 60.7737 69.9971 175.4282 14 V 4.3671 8.4829 116.1399 61.6488 33.1323 175.5980 15 Q 4.8743 7.8899 118.1877 53.5676 32.7887 172.6353 16 P 4.8280 0.0000 0.0000 63.2014 32.4622 174.8891 17 Y 4.4164 8.6645 123.0467 56.0518 42.0000 173.9090 18 T 4.4647 7.5212 123.3236 61.6084 69.9039 174.5728 19 S 4.3186 8.4184 122.2029 58.0590 64.0577 174.3462 20 Q 4.1569 8.6959 123.5770 57.9046 29.2369 175.9031 21 S 4.8102 7.5768 111.4893 56.1175 67.2451 174.7655 22 K 3.8797 9.0470 121.0981 60.2416 31.9707 178.3498 23 D 4.6224 8.1099 117.7938 56.5977 40.9916 176.6231 24 E 5.4092 8.0467 116.5091 53.9060 31.8012 175.5824 25 I 4.5213 8.5577 122.4286 59.2434 40.3670 174.6048 26 G 4.2386 8.7802 116.4249 45.5675 0.0000 172.4134 27 F 5.4013 7.4632 118.5077 55.1709 42.1309 172.8631 28 E 5.0171 8.7264 116.4737 54.5522 32.3963 175.0409 29 K 4.3661 7.8562 121.2500 55.7453 32.9057 176.4086 30 G 4.2340 8.4326 118.5312 45.8341 0.0000 173.0077 31 V 4.5565 7.7263 111.0340 59.3846 36.1252 174.4328 32 T 4.7973 8.3367 118.0575 62.3689 69.9835 174.8736 33 V 4.5689 8.9754 118.4984 59.5548 36.5372 174.5798 34 E 4.7870 8.2947 120.8647 54.5359 30.3697 175.8555 35 V 3.8154 8.7430 126.7914 63.2985 31.9216 176.0895 36 I 3.9237 9.0516 129.7368 63.1063 37.5076 176.3731 37 R 4.6525 7.7950 119.5912 54.2473 33.9459 174.9688 38 K 3.9163 8.1642 119.2896 55.0025 35.0113 175.7746 39 N 4.8892 9.0244 124.0658 52.2786 40.4500 174.8608 40 L 4.5032 8.5418 117.5093 56.7902 43.3746 177.8149 41 E 4.2499 8.3162 118.9779 58.2445 28.4444 176.6836 42 G 3.8439 7.5352 102.2852 46.3216 0.0000 172.1165 43 W 5.5127 8.2821 119.7188 54.6722 32.2181 175.4171 44 W 5.3330 9.8597 126.4848 54.7332 31.3169 174.7616 45 Y 4.2872 8.6874 128.3816 57.7685 39.0958 174.9635 46 I 5.5253 7.8077 118.7201 58.0433 41.6993 174.0529 47 R 4.7475 8.2620 121.1709 54.7215 32.7888 173.2248 48 Y 4.9225 8.7738 126.5939 56.5157 42.9684 174.5406 49 L 3.0284 8.6897 122.8399 55.5765 39.3200 174.4995 50 G 3.9448 8.2861 102.1449 46.0699 0.0000 174.5943 51 K 4.5372 7.8800 117.4112 54.4804 36.4244 175.0931 52 E 4.7068 8.6872 122.7871 54.8522 30.6680 175.4302 53 G 4.1296 7.6996 110.5755 44.9274 0.0000 170.7153 54 W 5.4541 9.1568 119.7478 55.4431 30.5585 176.0971 55 A 5.1101 9.1391 125.8317 49.2285 22.7061 173.4626 56 P 4.5823 0.0000 0.0000 61.7002 31.9875 177.3439 57 A 3.5706 8.5569 126.6471 54.8459 18.4242 179.3894 58 S 4.0120 7.9562 111.1531 61.8531 62.6386 174.4639 59 Y 4.5019 8.3634 117.1811 57.9407 37.9593 174.6632 60 L 5.0852 7.6329 118.2273 53.4233 46.3248 175.9307 61 K 4.6458 8.8241 119.4343 55.1283 36.3544 175.1191 62 K 2.5445 8.1231 124.1360 56.1133 32.3684 176.3266 63 A 4.1804 7.6052 128.7072 51.4070 19.6804 177.1179 64 K 4.2661 8.3454 120.3792 54.4895 33.1863 175.2248 65 D 4.6177 8.4656 126.5495 53.4066 41.7820 176.3447 66 S 4.6346 8.4161 118.5311 56.9554 63.3026 173.6054 67 G 4.1301 7.9775 111.5057 43.9360 0.0000 172.2207 68 P 4.2704 0.0000 0.0000 64.4534 31.7124 176.7985 69 S 3.8178 6.9159 113.0509 58.7674 62.4540 173.6260 70 S 4.4802 8.6487 123.7869 57.2885 63.3393 174.3625 71 G 4.2503 8.6669 113.6561 45.9964 0.0000 172.4119 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 G 8.35 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 2 S 9.01 3.93 0.00 3.94 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 3 S 8.02 3.70 0.00 3.94 3.88 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 4 G 7.46 3.91 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 0.00 0.00 0.00 5 S 7.76 3.76 0.00 4.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.57 4.76 0.00 3.83 3.76 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 7 G 7.92 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.29 0.00 1.95 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 2.23 2.23 0.00 9 E 7.69 4.70 0.00 1.92 2.17 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 2.31 2.30 0.00 10 K 8.79 4.81 0.00 1.76 1.79 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.65 1.60 7.81 11 Y 9.12 4.93 0.00 2.91 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 12 V 8.82 4.95 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 0.84 0.00 0.00 0.91 0.00 0.00 13 T 8.07 4.75 4.20 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 0.29 0.00 0.00 14 V 8.48 4.37 2.02 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 0.64 0.00 0.00 0.83 0.00 0.00 15 Q 7.89 4.87 0.00 1.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 16 P 0.00 4.83 0.00 2.14 2.14 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 17 Y 8.66 4.42 0.00 2.64 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 0.00 0.00 0.00 18 T 7.52 4.46 3.95 0.00 0.00 0.00 0.00 0.00 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 19 S 8.42 4.32 0.00 4.29 3.88 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 20 Q 8.70 4.16 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 21 S 7.58 4.81 0.00 3.85 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 22 K 9.05 3.88 0.00 1.77 1.93 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 23 D 8.11 4.62 0.00 2.75 2.85 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 24 E 8.05 5.41 0.00 2.10 2.16 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 2.60 2.16 0.00 25 I 8.56 4.52 1.93 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 1.54 0.97 1.14 0.00 0.00 26 G 8.78 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 0.00 0.00 0.00 0.00 27 F 7.46 5.40 0.00 2.67 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 28 E 8.73 5.02 0.00 2.04 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 0.00 2.24 2.30 0.00 29 K 7.86 4.37 0.00 1.84 1.82 0.00 1.69 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.30 7.81 30 G 8.43 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 0.00 0.00 0.00 0.00 31 V 7.73 4.56 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 1.06 0.00 0.00 0.64 0.00 0.00 32 T 8.34 4.80 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 1.23 0.00 0.00 33 V 8.98 4.57 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 0.38 0.00 0.00 0.88 0.00 0.00 34 E 8.29 4.79 0.00 1.92 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 2.25 2.38 0.00 35 V 8.74 3.82 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 0.70 0.00 0.00 0.65 0.00 0.00 36 I 9.05 3.92 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 0.93 0.00 0.00 37 R 7.79 4.65 0.00 1.62 1.76 0.00 3.17 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.35 0.00 38 K 8.16 3.92 0.00 1.08 0.95 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.47 7.81 39 N 9.02 4.89 0.00 3.10 2.92 0.00 0.00 6.95 7.55 0.00 0.00 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 L 8.54 4.50 0.00 1.69 1.77 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.32 4.25 0.00 2.10 2.04 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 2.37 2.40 0.00 42 G 7.54 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 0.00 0.00 0.00 43 W 8.28 5.51 0.00 3.16 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 44 W 9.86 5.33 0.00 3.30 3.17 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 45 Y 8.69 4.29 0.00 2.15 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 46 I 7.81 5.53 1.85 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 1.22 0.38 1.07 0.00 0.00 47 R 8.26 4.75 0.00 1.78 1.76 0.00 3.12 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 48 Y 8.77 4.92 0.00 3.05 2.85 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 49 L 8.69 3.03 0.00 1.23 1.41 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.29 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 0.00 0.00 0.00 51 K 7.88 4.54 0.00 1.89 1.62 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.54 7.81 52 E 8.69 4.71 0.00 1.81 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 53 G 7.70 4.13 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 0.00 0.00 0.00 54 W 9.16 5.45 0.00 3.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.14 5.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 2.07 1.68 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.00 57 A 8.56 3.57 0.34 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 58 S 7.96 4.01 0.00 3.93 3.87 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 59 Y 8.36 4.50 0.00 3.18 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 60 L 7.63 5.09 0.00 1.47 1.58 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.82 4.65 0.00 1.71 1.78 0.00 1.23 0.00 0.00 1.50 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.25 7.81 62 K 8.12 2.54 0.00 1.29 1.46 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.13 1.06 7.81 63 A 7.61 4.18 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.35 4.27 0.00 1.62 1.67 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.32 7.81 65 D 8.47 4.62 0.00 2.68 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 66 S 8.42 4.63 0.00 3.96 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 67 G 7.98 4.13 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 0.00 0.00 0.00 68 P 0.00 4.27 0.00 2.19 2.19 0.00 3.81 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 1.98 1.95 0.00 69 S 6.92 3.82 0.00 3.98 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 70 S 8.65 4.48 0.00 3.88 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 71 G 8.67 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 0.00 0.00 0.00 0.00