NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9484 8.1976 109.7337 45.0386 0.0000 177.4003 3 P 4.0653 0.0000 0.0000 62.7974 31.4776 174.6328 4 G 3.9999 6.0485 106.5042 44.3297 0.0000 173.0394 5 I 4.2900 7.3572 112.9695 60.0040 39.9564 174.9679 6 Q 4.8981 8.4183 122.4229 55.2341 30.5123 175.2075 7 V 4.9107 8.9824 118.5722 60.1386 36.4400 175.0509 8 K 5.0478 8.8573 126.1928 53.2156 34.4286 176.5706 9 A 4.4046 8.9068 127.9076 51.4485 18.6884 178.3120 10 L 3.9874 8.9259 123.4484 56.5698 42.3077 176.5825 11 Y 5.0224 7.5288 113.9796 56.1080 42.2840 174.6731 12 D 4.8869 8.9155 120.9568 54.8665 41.9863 175.4803 13 Y 4.5910 8.6209 122.9897 55.9786 42.3623 173.2321 14 D 4.8363 7.6253 125.8447 51.8940 42.7038 176.0759 15 A 4.1509 8.3757 126.0040 53.0813 18.2141 177.1487 16 Q 4.3503 9.6890 121.2137 56.2812 30.7645 175.3650 17 T 4.6586 7.6023 106.2526 58.8029 72.1625 172.8369 18 G 3.7212 8.5824 109.6096 47.7230 0.0000 173.0123 19 D 4.5626 8.9646 121.9171 55.1011 38.3768 173.1232 20 E 5.1695 7.8103 118.4616 55.8901 30.5787 176.3962 21 L 4.6133 9.0217 123.0050 54.8470 42.9655 176.4032 22 T 4.8371 8.5258 118.8460 62.3993 70.2713 173.8489 23 F 5.0989 8.6573 119.7647 56.0779 42.0915 172.8506 24 K 5.2028 9.6998 118.3481 53.9784 35.7008 175.8570 25 E 4.2015 9.5822 123.5358 58.4436 29.7917 177.6047 26 G 4.0351 9.1126 115.2244 45.0756 0.0000 173.5076 27 D 4.5602 8.3046 120.6043 54.8126 42.0962 175.4797 28 T 4.8960 8.4193 119.1547 62.4439 69.8851 174.1337 29 I 4.6352 8.7925 127.4881 59.4400 40.7014 174.6979 30 I 4.4284 8.3354 127.3585 60.5084 38.7463 175.0048 31 V 4.3591 8.7724 128.5070 62.0493 31.8852 176.1185 32 H 4.5635 9.0984 127.1401 58.5751 29.4482 176.4520 33 Q 4.3522 7.8019 115.4519 53.9042 33.1336 175.4077 34 K 3.3204 7.9145 124.0578 54.5691 29.7101 176.0733 35 D 4.8049 8.1383 121.3787 53.3810 42.0960 175.7029 36 P 4.3761 0.0000 0.0000 64.1188 31.9199 176.0666 37 A 3.9925 8.9839 121.9784 52.0886 16.5105 179.2124 38 G 3.7795 8.8585 106.0184 44.8189 0.0000 173.0900 39 W 4.9797 7.7878 118.7395 54.6355 31.7551 174.9414 40 W 5.5856 9.5478 124.9834 55.2251 31.8041 175.4746 41 E 4.3364 9.3345 122.9772 56.1580 29.8791 176.1638 42 G 4.5899 9.4012 111.9782 44.3222 0.0000 170.3548 43 E 5.2796 9.0074 119.5868 54.6540 33.5832 173.7875 44 L 4.7214 9.2848 127.6478 54.5888 46.2491 174.9740 45 N 4.2627 9.9432 123.2439 54.5731 36.1417 175.1847 46 G 3.9427 8.5897 102.9038 45.3313 0.0000 173.5376 47 K 4.5589 7.9931 120.6228 54.1234 34.7118 174.4459 48 R 4.8897 8.1797 125.7987 54.8094 32.0694 175.2867 49 G 3.9286 8.2720 111.3872 46.0084 0.0000 171.9763 50 W 5.4398 8.7740 120.0569 56.6363 30.6561 176.2135 51 V 5.0580 9.4258 123.4486 60.3126 34.6031 172.9946 52 P 3.1696 0.0000 0.0000 61.7428 31.6044 177.2468 53 A 2.7440 7.8823 127.3083 54.2019 18.1351 178.2681 54 N 4.6113 7.5315 110.6520 53.9528 37.9293 175.0909 55 Y 4.6790 8.1265 116.8374 58.5115 38.7204 175.1831 56 V 4.9288 7.2194 111.2821 59.3674 35.7505 174.7401 57 Q 4.6474 8.7936 124.2193 54.0075 31.8098 174.4673 58 D 4.8686 9.0116 126.6934 54.4532 41.6459 176.5306 59 I 4.0784 8.1644 115.9350 60.9976 37.6241 175.2161 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 2 G 8.20 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 0.00 0.00 0.00 0.00 3 P 0.00 4.07 0.00 2.33 2.21 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 4 G 6.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.36 4.29 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.93 0.84 0.00 0.00 6 Q 8.42 4.90 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 7 V 8.98 4.91 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 0.80 0.00 0.00 0.96 0.00 0.00 8 K 8.86 5.05 0.00 1.39 1.66 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.24 7.81 9 A 8.91 4.40 1.35 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 0.00 0.00 10 L 8.93 3.99 0.00 0.27 0.54 0.74 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.53 5.02 0.00 2.71 2.73 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 0.00 0.00 0.00 0.00 12 D 8.92 4.89 0.00 2.65 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 13 Y 8.62 4.59 0.00 2.56 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 14 D 7.63 4.84 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.15 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 9.69 4.35 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 17 T 7.60 4.66 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 18 G 8.58 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 0.00 0.00 0.00 19 D 8.96 4.56 0.00 3.09 2.80 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 20 E 7.81 5.17 0.00 2.06 2.25 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 2.35 2.30 0.00 21 L 9.02 4.61 0.00 1.93 1.90 1.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.53 4.84 4.28 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 1.17 0.00 0.00 23 F 8.66 5.10 0.00 3.29 3.21 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 0.00 0.00 0.00 0.00 24 K 9.70 5.20 0.00 1.77 1.79 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 25 E 9.58 4.20 0.00 1.96 1.94 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 2.33 2.28 0.00 26 G 9.11 4.04 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 0.00 0.00 0.00 27 D 8.30 4.56 0.00 2.93 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 28 T 8.42 4.90 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 1.19 0.00 0.00 29 I 8.79 4.64 1.75 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.91 0.00 0.00 30 I 8.34 4.43 1.74 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 1.07 0.59 0.75 0.00 0.00 31 V 8.77 4.36 2.01 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 0.85 0.00 0.00 1.12 0.00 0.00 32 H 9.10 4.56 0.00 3.15 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.80 4.35 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 34 K 7.91 3.32 0.00 1.16 0.98 0.00 1.28 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.64 7.81 35 D 8.14 4.80 0.00 3.19 2.89 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 36 P 0.00 4.38 0.00 2.24 2.13 0.00 3.86 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 2.07 2.03 0.00 37 A 8.98 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.79 4.98 0.00 2.72 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 40 W 9.55 5.59 0.00 3.33 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 41 E 9.33 4.34 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.53 0.00 42 G 9.40 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.01 5.28 0.00 2.10 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 0.00 2.23 2.46 0.00 44 L 9.28 4.72 0.00 1.79 1.52 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.94 4.26 0.00 2.93 2.90 0.00 0.00 7.14 7.65 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 46 G 8.59 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 47 K 7.99 4.56 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 48 R 8.18 4.89 0.00 1.83 1.74 0.00 3.27 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.75 0.00 49 G 8.27 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 50 W 8.77 5.44 0.00 3.40 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.43 5.06 2.26 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 0.80 0.00 0.00 1.06 0.00 0.00 52 P 0.00 3.17 0.00 1.44 0.49 0.00 3.74 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.00 53 A 7.88 2.74 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.53 4.61 0.00 2.78 2.79 0.00 0.00 5.99 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 55 Y 8.13 4.68 0.00 3.29 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.22 4.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 1.02 0.00 0.00 57 Q 8.79 4.65 0.00 2.01 1.85 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 2.22 2.29 0.00 58 D 9.01 4.87 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.16 4.08 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 1.21 0.66 0.96 0.00 0.00