NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3355 8.3193 115.4105 58.2545 64.5320 173.7092 2 H 4.4415 8.0581 117.2662 54.9514 29.7472 172.1698 3 I 4.5605 8.7223 119.5234 59.2490 41.4647 175.4421 4 Q 4.3978 8.6490 126.1529 54.9728 29.8411 175.1325 5 I 4.3487 8.0893 122.9256 58.8289 38.5871 173.9910 6 P 4.5255 0.0000 0.0000 61.2467 32.2344 174.1712 7 P 4.3987 0.0000 0.0000 64.1792 31.9662 176.9660 8 G 4.0916 8.8638 108.3121 45.6062 0.0000 175.2715 9 L 3.9346 7.5793 121.1129 58.5668 42.0370 178.8869 10 T 3.9079 7.8845 115.1243 66.7460 68.3285 176.2996 11 E 3.9973 8.1835 119.9658 59.2258 29.6056 178.9539 12 L 4.1566 8.0890 120.3017 58.3132 42.2355 179.0630 13 L 4.1971 8.0659 118.8604 57.9166 41.4836 179.4955 14 Q 4.1525 8.5240 118.3016 58.9507 28.4585 179.0663 15 G 3.7847 8.3769 106.7525 48.0760 0.0000 175.0116 16 Y 3.1898 7.9216 121.6403 60.4232 38.7536 178.2343 17 T 3.6923 8.0750 116.5995 66.6967 68.5556 177.1047 18 V 3.5618 7.9918 114.5099 64.4064 31.4659 178.5421 19 E 3.8993 7.7528 118.2288 59.1201 29.2880 179.4894 20 V 3.0414 7.4110 118.2320 65.9516 31.3606 178.1616 21 L 3.9844 7.8042 119.8128 58.2099 41.4347 180.2335 22 R 4.0535 7.6351 119.8018 61.6065 29.6967 181.1460 23 Q 4.1352 8.1878 118.1956 56.0588 30.0451 176.4314 24 Q 3.3025 7.6162 117.8317 56.1188 26.3799 171.8203 25 P 4.3192 0.0000 0.0000 61.7485 32.5750 175.8518 26 P 4.2939 0.0000 0.0000 64.7098 31.9740 176.3836 27 D 4.7575 7.8256 117.6699 51.7196 43.9122 175.7342 28 L 4.2265 8.5856 127.7750 57.7280 41.8412 179.6116 29 V 3.6724 7.9118 117.8032 66.1237 31.6805 177.4648 30 D 4.4564 8.7074 118.8820 57.6202 40.7548 178.7679 31 F 4.4541 8.4896 120.7127 61.2139 39.3101 176.9295 32 A 4.0644 8.5201 120.5131 55.1704 18.2461 179.6781 33 V 3.6106 7.9571 116.6409 66.2890 31.6416 178.0942 34 E 3.9313 8.0984 118.1302 59.4695 29.3119 178.6670 35 Y 3.6685 8.0088 119.7166 60.8232 38.8361 178.3319 36 F 4.1774 8.1933 118.5862 60.4836 38.9550 178.0376 37 T 3.8955 8.0417 115.6800 66.7007 68.2646 176.9173 38 R 3.8740 7.9038 119.9503 59.0345 29.8010 178.9903 39 L 3.7979 7.3079 117.8715 57.8000 41.7792 179.2592 40 R 4.0186 7.9599 118.3806 59.6209 29.8256 178.4682 41 E 3.9396 8.0090 116.8769 59.1267 29.4950 178.7317 42 A 4.1920 7.8489 119.7991 53.7975 18.6778 177.4779 43 R 4.0329 7.4930 118.5450 56.4538 29.6048 176.4499 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 S 8.32 4.34 0.00 3.98 4.01 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 0.00 0.00 0.00 0.00 2 H 8.06 4.44 0.00 3.37 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.72 4.56 1.87 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 1.41 0.83 0.92 0.00 0.00 4 Q 8.65 4.40 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 5 I 8.09 4.35 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 1.48 0.56 0.92 0.00 0.00 6 P 0.00 4.53 0.00 2.21 2.16 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 7 P 0.00 4.40 0.00 2.21 2.10 0.00 3.79 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 1.97 0.00 8 G 8.86 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 9 L 7.58 3.93 0.00 1.91 1.68 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.88 3.91 4.27 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 0.00 0.00 0.00 1.24 0.00 0.00 11 E 8.18 4.00 0.00 2.10 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 0.00 2.43 2.46 0.00 12 L 8.09 4.16 0.00 1.92 2.00 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.07 4.20 0.00 1.99 1.80 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.52 4.15 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 15 G 8.38 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 16 Y 7.92 3.19 0.00 2.81 3.15 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 0.00 17 T 8.08 3.69 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 1.20 0.00 0.00 18 V 7.99 3.56 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 0.81 0.00 0.00 1.02 0.00 0.00 19 E 7.75 3.90 0.00 1.95 2.09 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 2.53 2.60 0.00 20 V 7.41 3.04 1.84 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 0.83 0.00 0.00 0.15 0.00 0.00 21 L 7.80 3.98 0.00 1.66 1.65 0.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.64 4.05 0.00 1.93 1.83 0.00 3.27 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 23 Q 8.19 4.14 0.00 1.74 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 24 Q 7.62 3.30 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 25 P 0.00 4.32 0.00 1.97 1.45 0.00 3.51 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.74 0.00 26 P 0.00 4.29 0.00 2.20 2.20 0.00 3.67 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 1.99 1.94 0.00 27 D 7.83 4.76 0.00 2.71 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 28 L 8.59 4.23 0.00 1.85 1.93 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.91 3.67 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 1.12 0.00 0.00 0.99 0.00 0.00 30 D 8.71 4.46 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.49 4.45 0.00 3.24 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 32 A 8.52 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.61 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 1.05 0.00 0.00 1.04 0.00 0.00 34 E 8.10 3.93 0.00 2.15 1.96 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 2.36 2.42 0.00 35 Y 8.01 3.67 0.00 1.92 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 4.18 0.00 3.21 3.01 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 0.00 0.00 0.00 0.00 37 T 8.04 3.90 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 1.20 0.00 0.00 38 R 7.90 3.87 0.00 1.82 1.86 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 39 L 7.31 3.80 0.00 1.69 1.66 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.96 4.02 0.00 1.98 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 41 E 8.01 3.94 0.00 2.11 1.98 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 2.33 2.46 0.00 42 A 7.85 4.19 1.32 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 43 R 7.49 4.03 0.00 1.89 2.07 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00