NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.0606 8.4449 120.3583 56.0382 30.9866 172.2285 3 Y 4.6978 7.0797 120.1394 55.6320 39.5515 172.7226 4 E 4.1690 9.4325 122.5438 56.8334 31.0799 176.2750 5 E 4.6403 8.6252 120.5163 55.2838 33.5094 175.2367 6 G 3.8399 8.8722 106.3795 43.6097 0.0000 171.2280 7 P 4.2811 0.0000 0.0000 64.4338 31.3448 177.3757 8 G 3.8919 9.0204 111.0020 45.3521 0.0000 173.5190 9 K 4.4428 7.8122 116.9096 55.9303 34.1659 175.9024 10 N 4.8386 7.9045 115.7943 52.5355 37.9915 174.7374 11 I 4.5175 7.0593 110.5393 59.4772 40.5878 173.5358 12 P 4.3818 0.0000 0.0000 63.3801 31.5772 175.7034 13 F 4.9731 6.7623 113.2902 54.9240 40.6377 174.4325 14 S 4.4456 8.5215 116.0880 57.8306 63.0514 174.2510 15 V 4.4720 7.9245 119.3553 61.1407 32.2188 176.7322 16 E 3.9968 8.3887 124.0017 58.2156 29.8168 177.1324 17 N 4.9513 7.8542 116.9638 50.9323 41.8305 174.9316 18 K 3.7638 8.4375 127.6730 59.4337 32.5645 179.0186 19 W 4.4999 7.7849 119.7748 59.2645 29.2836 178.2979 20 R 3.9752 8.6456 118.8722 59.2717 29.4864 178.2740 21 L 3.9465 8.1151 120.2183 57.9712 42.0151 178.5421 22 L 3.9138 8.0403 120.0378 58.2119 42.0741 178.4856 23 A 4.0556 8.1632 120.5263 55.8223 18.3101 179.5732 24 M 4.0351 8.3247 117.0235 58.8689 31.9465 178.9795 25 M 4.0421 8.5199 119.2452 58.5184 32.0576 178.9640 26 T 3.9716 8.2603 116.0797 66.7924 68.6178 176.6970 27 L 4.0322 8.0084 120.8388 57.6983 41.3038 179.3528 28 F 4.0712 8.2302 120.6132 61.3304 39.4042 177.3840 29 F 4.2339 8.4029 117.6274 60.3904 38.8092 177.7745 30 G 3.9226 8.4568 105.7650 48.0550 0.0000 175.7578 31 S 4.2694 8.3671 117.0534 60.9867 62.7759 176.6757 32 G 3.5790 7.4217 108.1488 47.5156 0.0000 174.9412 33 F 4.4259 8.2256 122.0659 61.0139 39.8067 176.8227 34 A 4.4546 8.5567 119.9293 54.6095 18.1268 179.3015 35 A 4.0421 8.0979 119.8839 55.2655 18.3843 178.0930 36 P 4.0471 0.0000 0.0000 65.4707 31.2145 178.7789 37 F 3.7863 7.6712 116.1326 60.6681 38.8201 177.6083 38 F 3.9736 8.3160 117.0761 60.3624 38.5613 177.9476 39 I 3.7643 7.9890 119.8541 64.2822 36.8737 178.5173 40 V 3.5150 7.9500 119.4140 65.8537 31.2281 177.9281 41 R 3.8055 8.2061 118.7691 59.6807 29.6870 177.7175 42 H 4.1320 8.2184 116.7774 59.6515 29.9790 176.8744 43 Q 4.0248 8.2898 119.6612 58.8226 27.2822 178.4614 44 L 3.9685 8.0424 120.1342 57.9789 41.5376 179.4088 45 L 4.2169 8.0446 116.6626 56.4997 41.6313 179.1273 46 K 4.1047 7.4962 118.7869 58.0082 32.1928 176.7331 47 K 3.9469 7.2022 121.0929 57.2710 33.6817 173.7778 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 H 8.44 4.06 0.00 2.97 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.08 4.70 0.00 2.90 2.65 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 0.00 0.00 0.00 0.00 4 E 9.43 4.17 0.00 1.94 1.88 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 2.33 2.27 0.00 5 E 8.63 4.64 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 6 G 8.87 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.28 0.00 2.02 2.02 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 8 G 9.02 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 0.00 0.00 0.00 9 K 7.81 4.44 0.00 1.76 1.77 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 10 N 7.90 4.84 0.00 2.77 2.85 0.00 0.00 5.81 7.81 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 11 I 7.06 4.52 0.78 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.70 0.00 0.00 12 P 0.00 4.38 0.00 2.22 2.17 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 13 F 6.76 4.97 0.00 3.12 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.45 0.00 3.84 3.81 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 15 V 7.92 4.47 2.07 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 0.82 0.00 0.00 0.84 0.00 0.00 16 E 8.39 4.00 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 17 N 7.85 4.95 0.00 2.77 2.65 0.00 0.00 6.96 6.80 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 18 K 8.44 3.76 0.00 1.50 1.72 0.00 0.87 0.00 0.00 1.16 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.71 0.21 7.81 19 W 7.78 4.50 0.00 3.59 3.25 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 0.00 20 R 8.65 3.98 0.00 1.95 1.97 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.12 3.95 0.00 1.88 1.79 1.11 0.41 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 22 L 8.04 3.91 0.00 2.01 2.03 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.16 4.06 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 24 M 8.32 4.04 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.88 0.00 25 M 8.52 4.04 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 26 T 8.26 3.97 4.66 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 0.00 0.00 0.00 1.27 0.00 0.00 27 L 8.01 4.03 0.00 1.89 1.74 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.23 4.07 0.00 2.89 2.78 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 29 F 8.40 4.23 0.00 3.37 3.09 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 30 G 8.46 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 0.00 0.00 0.00 31 S 8.37 4.27 0.00 4.00 4.16 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 32 G 7.42 3.58 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 0.00 0.00 0.00 33 F 8.23 4.43 0.00 3.19 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 4.45 1.59 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 35 A 8.10 4.04 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 36 P 0.00 4.05 0.00 1.57 1.84 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.04 0.00 37 F 7.67 3.79 0.00 3.14 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 38 F 8.32 3.97 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.76 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.91 0.00 0.00 40 V 7.95 3.52 2.15 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 1.01 0.00 0.00 0.79 0.00 0.00 41 R 8.21 3.81 0.00 1.81 2.05 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 42 H 8.22 4.13 0.00 3.21 3.63 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.29 4.02 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 44 L 8.04 3.97 0.00 1.81 1.71 0.90 0.50 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 45 L 8.04 4.22 0.00 1.65 1.72 0.95 0.89 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 46 K 7.50 4.10 0.00 1.78 1.81 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.36 7.81 47 K 7.20 3.95 0.00 1.65 1.62 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.16 7.81