NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9378 8.0544 113.9967 61.4691 33.3347 175.4938 2 V 3.7457 8.1704 124.8927 59.0135 30.1698 170.7857 3 H 4.4248 8.7179 120.5562 55.0991 28.1271 176.8821 4 C 4.1568 8.1062 122.1182 59.4137 40.3826 173.2194 5 D 4.0211 6.4696 114.5155 54.9897 45.3785 175.7298 6 M 4.4436 8.6125 119.8567 55.5476 31.7815 176.4615 7 E 4.6825 7.5028 115.6505 55.4046 30.7769 175.6474 8 V 4.2493 6.9860 116.3318 60.9500 33.4975 171.4425 9 I 4.6985 8.0611 121.0706 59.9385 40.8595 174.5915 10 C 5.1279 8.5366 125.1219 54.2545 42.3180 172.0532 11 P 4.7741 0.0000 0.0000 62.5031 32.0567 176.9686 12 D 4.5066 9.0256 121.6382 56.8660 37.7808 178.6638 13 G 3.8695 9.1181 107.7539 46.7784 0.0000 172.0026 14 Y 4.9576 9.1917 117.9769 56.1842 41.7059 174.9456 15 T 4.7036 8.8475 112.2087 60.3667 71.3556 172.8669 16 C 5.2784 8.8209 121.9946 56.4751 37.3249 172.4986 17 C 5.1734 9.6977 122.2737 57.8736 35.2839 172.5108 18 R 4.0303 8.1034 122.7499 53.9473 30.9291 176.5051 19 L 4.1677 8.1327 124.2931 53.7009 42.3210 175.9160 20 P 4.5432 0.0000 0.0000 63.9205 31.7318 176.4595 21 S 4.5685 7.4990 113.6634 58.2063 62.7373 174.1360 22 G 4.0853 8.2418 103.4138 46.1773 0.0000 173.7474 23 A 4.8815 6.8885 120.6235 49.6433 22.3891 176.2860 24 W 5.4886 8.6163 115.3046 55.4800 33.2292 175.4096 25 G 4.4254 10.0296 109.0272 44.9738 0.0000 170.3762 26 C 5.7621 8.8938 120.5493 54.8246 45.3056 172.9929 27 C 5.1213 9.2028 122.8914 57.4557 31.8985 172.2559 28 P 4.3449 0.0000 0.0000 61.7498 32.2890 175.6019 29 F 4.5449 7.6643 119.3502 58.0895 39.4999 176.8503 30 T 4.3833 7.5606 111.0247 59.6771 68.0926 174.3891 31 Q 4.1448 8.0095 127.5650 56.5803 29.1292 175.6994 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 V 8.05 3.94 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 0.78 0.00 0.00 0.85 0.00 0.00 2 V 8.17 3.75 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 3 H 8.72 4.42 0.00 3.32 3.45 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.11 4.16 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.47 4.02 0.00 2.11 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 0.00 0.00 0.00 0.00 6 M 8.61 4.44 0.00 2.02 2.04 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 2.51 2.51 0.00 7 E 7.50 4.68 0.00 1.92 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 2.27 2.34 0.00 8 V 6.99 4.25 2.05 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 0.13 0.00 0.00 0.92 0.00 0.00 9 I 8.06 4.70 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.85 0.00 0.00 10 C 8.54 5.13 0.00 2.92 2.99 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 0.00 0.00 0.00 0.00 11 P 0.00 4.77 0.00 2.16 2.11 0.00 3.40 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 1.79 1.61 0.00 12 D 9.03 4.51 0.00 2.81 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 13 G 9.12 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 0.00 0.00 0.00 14 Y 9.19 4.96 0.00 2.76 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 15 T 8.85 4.70 4.29 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 1.26 0.00 0.00 16 C 8.82 5.28 0.00 2.92 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 17 C 9.70 5.17 0.00 3.05 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.03 0.00 0.99 1.28 0.00 2.79 0.00 0.00 2.63 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 19 L 8.13 4.17 0.00 1.54 1.52 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.54 0.00 2.14 2.11 0.00 3.65 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 21 S 7.50 4.57 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.89 4.88 1.24 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 24 W 8.62 5.49 0.00 3.17 3.03 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 0.00 0.00 0.00 0.00 25 G 10.03 4.43 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 0.00 26 C 8.89 5.76 0.00 3.03 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 27 C 9.20 5.12 0.00 2.97 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 28 P 0.00 4.34 0.00 1.73 1.05 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 29 F 7.66 4.54 0.00 2.87 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 30 T 7.56 4.38 4.19 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 1.15 0.00 0.00 31 Q 8.01 4.14 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.46 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00