NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2321 8.3149 119.9943 55.6691 32.7838 175.2699 2 P 4.2603 0.0000 0.0000 62.2137 31.2632 173.5089 3 D 4.4532 8.6707 117.5776 53.1691 42.2532 175.5419 4 C 4.3154 8.7051 118.2175 56.5750 40.4806 172.6042 5 P 4.5673 0.0000 0.0000 61.8513 33.7380 175.3137 6 L 4.5330 7.9144 113.6507 53.8783 41.2910 174.5858 7 I 3.0653 7.5702 124.2762 60.8724 34.5218 174.3692 8 C 4.3077 8.1454 126.7911 57.1202 43.7595 173.2791 9 T 4.5553 7.5275 112.6217 62.0304 70.2549 172.6287 10 M 4.6190 8.4566 122.6880 55.6388 32.7952 177.8194 11 Q 4.2478 7.8593 117.7288 58.3728 27.3328 177.2273 12 Y 4.0432 6.7423 117.9118 55.0285 38.1868 174.8532 13 D 4.9816 9.7614 130.7139 51.0003 40.9910 172.7960 14 P 5.0070 0.0000 0.0000 63.1531 32.7314 177.1955 15 V 5.0403 8.3091 116.8110 59.3271 35.6894 175.1976 16 C 4.8950 9.2614 126.2565 56.4329 45.6553 172.2315 17 G 4.4840 9.5885 114.4627 44.5516 0.0000 171.3870 18 S 4.6494 9.1749 120.7856 59.3855 62.2091 173.9264 19 D 5.1647 9.0276 135.0000 54.4119 41.5880 177.0991 20 G 4.3183 8.4217 108.3665 45.5862 0.0000 173.4011 21 I 4.2350 7.7635 119.1253 59.3347 40.6194 174.9851 22 T 4.6199 8.0643 122.3201 62.4658 67.6571 174.3042 23 Y 4.2949 8.6147 125.1959 56.8962 38.7881 177.6575 24 G 3.3399 8.6223 109.9217 48.0239 0.0000 173.7213 25 N 4.6560 7.9481 113.1316 51.6675 42.0938 175.2304 26 A 3.9228 8.3337 123.1996 55.5886 18.1049 181.0037 27 C 4.2520 8.0582 114.7251 60.2715 40.2637 175.7650 28 M 3.8935 7.9746 119.1093 57.6743 31.6471 178.5246 29 L 3.5283 7.5387 119.7832 57.2772 41.9481 178.7401 30 L 3.5111 7.6608 120.0399 59.2248 39.8913 179.6362 31 G 3.5949 7.9005 106.0501 46.9059 0.0000 175.7206 32 A 4.0911 8.6057 124.0802 55.0930 18.6889 179.4592 33 S 4.0113 7.7708 109.6323 61.6456 62.3639 176.5717 34 C 4.4335 7.8072 120.2454 59.2025 43.5684 174.2691 35 R 4.3315 7.3696 113.9479 56.0785 30.4455 176.1857 36 S 4.2036 7.9987 114.5503 58.4124 61.2311 173.1602 37 D 4.5746 8.5940 124.8131 53.4338 42.0975 177.4910 38 T 4.5959 7.7960 108.8867 58.8455 70.7596 173.8099 39 P 4.5771 0.0000 0.0000 62.5577 29.0329 175.6880 40 I 4.1706 7.4228 125.8435 62.0650 38.4756 174.7182 41 E 4.6981 8.4134 122.7252 55.0315 34.5293 173.2119 42 L 4.7814 8.4025 121.6469 54.2024 43.1833 175.9301 43 V 4.2957 8.4798 117.9706 62.5939 34.3201 175.9327 44 H 4.9347 7.7134 115.7740 53.1806 32.7138 174.5238 45 K 4.6405 8.2438 123.6500 54.0528 31.6056 175.8718 46 G 4.4813 6.8838 106.6620 46.8007 0.0000 172.8542 47 R 4.1853 8.7215 116.1754 56.8204 29.3470 177.1746 48 C 4.6943 8.0016 118.9061 57.6112 41.4955 173.8810 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 K 8.31 4.23 0.00 1.84 1.93 0.00 1.45 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.52 7.81 2 P 0.00 4.26 0.00 2.09 2.07 0.00 3.68 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 1.99 2.09 0.00 3 D 8.67 4.45 0.00 2.70 2.58 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 4 C 8.71 4.32 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.57 0.00 2.16 2.07 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 6 L 7.91 4.53 0.00 1.61 1.63 0.92 0.80 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 7 I 7.57 3.07 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.35 0.92 0.00 0.00 8 C 8.15 4.31 0.00 2.93 2.92 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 0.00 0.00 0.00 0.00 9 T 7.53 4.56 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 1.25 0.00 0.00 10 M 8.46 4.62 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 11 Q 7.86 4.25 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 12 Y 6.74 4.04 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.76 4.98 0.00 2.87 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.01 0.00 2.07 2.01 0.00 3.88 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.77 0.00 15 V 8.31 5.04 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 0.74 0.00 0.00 0.96 0.00 0.00 16 C 9.26 4.90 0.00 3.12 3.05 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 17 G 9.59 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.17 4.65 0.00 3.86 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 19 D 9.03 5.16 0.00 2.76 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 20 G 8.42 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.76 4.23 1.32 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.10 0.00 0.00 22 T 8.06 4.62 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 1.16 0.00 0.00 23 Y 8.61 4.29 0.00 3.06 2.88 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 24 G 8.62 3.34 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 0.00 25 N 7.95 4.66 0.00 2.69 2.64 0.00 0.00 7.63 7.21 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 26 A 8.33 3.92 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 27 C 8.06 4.25 0.00 2.97 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 28 M 7.97 3.89 0.00 2.03 2.38 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 29 L 7.54 3.53 0.00 1.44 1.37 0.69 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.66 3.51 0.00 2.04 1.90 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.90 3.59 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 32 A 8.61 4.09 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 0.00 0.00 0.00 0.00 0.00 33 S 7.77 4.01 0.00 3.89 3.92 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 0.00 0.00 0.00 0.00 34 C 7.81 4.43 0.00 2.97 3.37 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 0.00 0.00 0.00 35 R 7.37 4.33 0.00 1.92 2.03 0.00 3.28 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.57 0.00 36 S 8.00 4.20 0.00 4.06 3.62 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 37 D 8.59 4.57 0.00 2.78 2.71 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 38 T 7.80 4.60 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 39 P 0.00 4.58 0.00 2.18 2.12 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 40 I 7.42 4.17 1.73 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.94 0.00 0.00 41 E 8.41 4.70 0.00 1.83 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 2.25 2.24 0.00 42 L 8.40 4.78 0.00 1.59 1.50 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.48 4.30 1.55 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 0.65 0.00 0.00 0.86 0.00 0.00 44 H 7.71 4.93 0.00 3.04 3.12 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.24 4.64 0.00 1.75 1.79 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 46 G 6.88 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 4.19 0.00 1.81 1.91 0.00 3.37 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 48 C 8.00 4.69 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00