NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.3194 7.8676 121.4053 61.3163 38.8334 175.0468 2 R 4.7748 8.8150 123.3386 53.2038 31.1184 172.9070 3 C 5.6559 8.5691 111.4707 56.0069 44.8514 175.0467 4 S 4.7570 9.3615 116.0968 55.9691 64.1245 173.7741 5 G 4.3287 7.9754 108.2919 43.8553 0.0000 174.8466 6 S 3.9803 8.2308 118.0408 61.4060 62.7512 177.3571 7 R 2.5100 7.5206 117.7006 58.2153 29.1524 177.9158 8 D 4.2743 7.4817 118.2426 56.8292 41.0451 177.2770 9 C 4.2952 7.6717 117.2815 60.0459 38.4262 175.4281 10 Y 4.2088 7.3090 118.5317 60.8471 37.2853 177.8819 11 S 4.4205 8.1827 114.0851 61.1602 62.4875 174.4703 12 P 4.3801 0.0000 0.0000 65.9425 31.2878 178.7701 13 C 4.3042 8.6291 118.6699 59.6128 44.6767 175.0747 14 M 3.9686 9.0445 121.0442 58.7680 31.5235 178.4287 15 K 4.0335 7.4894 116.3260 60.0026 32.2482 178.5176 16 Q 4.1367 7.9266 117.9281 58.1334 28.5059 177.2007 17 T 4.5379 8.0659 113.0775 61.7029 69.1218 174.2015 18 G 3.8770 8.1598 106.1414 46.0378 0.0000 172.7250 19 C 4.4964 8.1928 114.0753 53.9285 42.4184 171.6938 20 P 3.8175 0.0000 0.0000 64.1969 31.5576 176.2561 21 N 4.4503 7.7405 116.3967 51.5840 38.5667 173.8117 22 A 4.7007 7.8942 122.0962 51.8903 22.4153 174.7777 23 K 4.1310 8.0009 116.8746 55.8893 35.4934 175.0749 24 C 4.5895 8.8755 129.3677 56.7485 43.3745 172.6653 25 I 4.1571 8.4060 127.5425 63.0135 38.0354 177.1250 26 N 4.8441 7.7765 116.0082 53.0373 39.4447 174.2261 27 K 5.1836 8.1139 113.3859 56.4076 30.6029 175.5160 28 S 5.6537 7.4177 112.5873 58.8463 67.6431 173.2811 29 C 5.7879 9.1607 121.0986 54.0426 41.9967 173.2815 30 K 4.7792 8.5217 120.3714 55.3675 34.9955 174.8306 31 C 4.7975 8.7258 117.6138 55.1580 41.5009 173.9968 32 Y 3.7332 8.3645 124.1567 60.5137 37.7579 178.3690 33 G 3.7368 8.2039 108.2574 48.4469 0.0000 174.1032 34 C 4.4667 7.8342 121.4204 57.1314 41.1145 173.3776 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 I 7.87 4.32 2.16 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.71 1.01 0.00 0.00 2 R 8.82 4.77 0.00 1.99 1.92 0.00 2.67 0.00 0.00 3.78 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 3 C 8.57 5.66 0.00 3.24 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 4 S 9.36 4.76 0.00 3.78 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 5 G 7.98 4.33 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 0.00 6 S 8.23 3.98 0.00 3.80 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 7 R 7.52 2.51 0.00 1.90 2.05 0.00 2.95 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 8 D 7.48 4.27 0.00 2.72 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 9 C 7.67 4.30 0.00 3.08 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 10 Y 7.31 4.21 0.00 2.91 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 11 S 8.18 4.42 0.00 3.89 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 12 P 0.00 4.38 0.00 2.32 2.30 0.00 3.78 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 2.23 2.02 0.00 13 C 8.63 4.30 0.00 3.34 3.33 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 14 M 9.04 3.97 0.00 2.21 2.18 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 2.61 2.61 0.00 15 K 7.49 4.03 0.00 2.03 1.87 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.73 7.81 16 Q 7.93 4.14 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.32 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 17 T 8.07 4.54 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 1.22 0.00 0.00 18 G 8.16 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 0.00 0.00 0.00 19 C 8.19 4.50 0.00 3.22 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 20 P 0.00 3.82 0.00 1.97 2.04 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 21 N 7.74 4.45 0.00 2.81 2.90 0.00 0.00 6.18 7.66 0.00 0.00 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 A 7.89 4.70 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 0.00 0.00 23 K 8.00 4.13 0.00 1.58 1.84 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.39 7.81 24 C 8.88 4.59 0.00 3.08 2.96 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 0.00 0.00 0.00 25 I 8.41 4.16 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 0.93 0.00 0.00 26 N 7.78 4.84 0.00 2.68 2.65 0.00 0.00 7.14 6.76 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 27 K 8.11 5.18 0.00 1.98 1.86 0.00 2.06 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.34 7.81 28 S 7.42 5.65 0.00 3.61 3.71 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 0.00 0.00 0.00 0.00 29 C 9.16 5.79 0.00 2.87 3.14 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 30 K 8.52 4.78 0.00 1.85 1.96 0.00 1.45 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.59 7.81 31 C 8.73 4.80 0.00 3.19 3.36 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 32 Y 8.36 3.73 0.00 2.96 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 33 G 8.20 3.74 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 0.00 0.00 0.00 34 C 7.83 4.47 0.00 3.05 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