NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4428 8.1200 121.8646 55.7087 34.2983 174.9760 3 V 4.6648 7.3595 119.8568 59.6264 33.9221 172.5232 4 R 4.2229 8.2386 124.1904 56.0983 31.9191 173.7995 5 A 4.1380 8.2019 120.8528 54.7526 18.9518 178.7748 6 S 4.1800 7.6036 117.7448 57.5925 60.9610 172.9056 7 V 4.0134 7.9221 125.2106 61.1959 31.0803 175.1905 8 K 4.7151 8.1214 125.8389 54.0802 35.2528 176.5188 9 R 4.1727 8.3131 119.4915 56.5182 30.7521 175.6739 10 I 4.2854 8.1090 119.9293 63.2843 39.7820 176.4497 11 C 4.5381 7.4866 119.3951 59.4959 29.3043 173.5855 12 D 4.8514 8.5727 122.3072 53.8350 40.0825 176.0950 13 K 4.2866 7.8308 118.1032 57.2239 32.9281 175.9422 14 C 4.4237 7.6970 116.0720 59.5177 29.3703 172.8790 15 K 4.1559 8.0478 116.0893 55.7199 34.9086 174.2817 16 V 3.9879 8.7057 128.8725 63.2221 31.9831 175.1122 17 I 4.6765 8.4983 127.9479 58.9841 40.8272 176.1005 18 R 5.2482 8.5998 126.5686 54.5457 30.8346 175.7186 19 R 3.9441 8.0562 112.0799 57.0170 29.9033 175.6329 20 H 4.1701 9.9729 112.9678 56.5740 26.4172 176.4717 21 G 4.0973 7.9255 106.3215 45.7807 0.0000 175.8419 22 R 4.4268 7.9685 124.2116 56.1970 30.7805 175.5139 23 V 4.7610 7.9541 120.9375 63.4644 34.7700 173.2273 24 Y 5.1247 9.8138 127.9176 58.2782 41.7932 174.6489 25 V 4.6346 8.1184 116.5907 64.2124 34.9649 173.3324 26 I 4.6730 8.1417 127.2635 60.0979 40.1203 174.1988 27 C 4.5397 8.4416 127.8337 57.9014 33.1952 173.1767 28 E 4.0487 8.8819 120.8661 59.1231 29.3776 176.8176 29 N 4.6104 7.8368 114.9078 51.4556 38.0019 172.4765 30 P 4.2582 0.0000 0.0000 65.7246 31.9330 179.5130 31 K 4.4125 7.5000 119.8992 58.8204 32.4540 177.7301 32 H 4.3907 7.9660 114.1321 57.9137 28.8124 175.9969 33 K 4.1660 8.5909 121.2637 56.3381 32.4828 175.7466 34 Q 4.7431 8.1316 122.1653 55.3965 32.7501 173.5038 35 R 4.2197 7.7599 116.5550 56.5903 32.5200 174.7718 36 Q 5.5434 7.7538 127.5183 55.3178 26.6529 176.0411 37 G 3.6871 7.9493 110.3103 45.0185 0.0000 170.4512 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 K 8.12 4.44 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.24 7.81 3 V 7.36 4.66 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 0.71 0.00 0.00 0.90 0.00 0.00 4 R 8.24 4.22 0.00 1.95 1.97 0.00 3.04 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 5 A 8.20 4.14 1.26 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 0.00 0.00 0.00 6 S 7.60 4.18 0.00 3.83 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 7 V 7.92 4.01 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 0.95 0.00 0.00 0.90 0.00 0.00 8 K 8.12 4.72 0.00 1.73 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.40 7.81 9 R 8.31 4.17 0.00 1.79 1.84 0.00 3.15 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 10 I 8.11 4.29 1.45 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 1.36 0.52 0.85 0.00 0.00 11 C 7.49 4.54 0.00 2.95 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 12 D 8.57 4.85 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.29 0.00 1.78 1.90 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.45 7.81 14 C 7.70 4.42 0.00 2.85 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 15 K 8.05 4.16 0.00 1.78 1.62 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.37 7.81 16 V 8.71 3.99 2.10 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 0.86 0.00 0.00 0.94 0.00 0.00 17 I 8.50 4.68 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 0.90 0.00 0.00 18 R 8.60 5.25 0.00 1.94 1.87 0.00 3.25 0.00 0.00 3.37 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 19 R 8.06 3.94 0.00 1.98 2.00 0.00 2.22 0.00 0.00 2.83 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 0.00 20 H 9.97 4.17 0.00 3.35 3.50 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.93 4.10 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 0.00 0.00 0.00 22 R 7.97 4.43 0.00 2.32 1.72 0.00 3.36 0.00 0.00 2.90 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 23 V 7.95 4.76 2.10 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 0.94 0.00 0.00 0.95 0.00 0.00 24 Y 9.81 5.12 0.00 2.84 2.80 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 25 V 8.12 4.63 2.19 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 1.35 0.00 0.00 1.00 0.00 0.00 26 I 8.14 4.67 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.92 0.00 0.00 27 C 8.44 4.54 0.00 3.04 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.05 0.00 1.98 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 2.30 2.25 0.00 29 N 7.84 4.61 0.00 2.83 2.79 0.00 0.00 6.02 7.75 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 30 P 0.00 4.26 0.00 2.23 2.27 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 31 K 7.50 4.41 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.49 7.81 32 H 7.97 4.39 0.00 3.14 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.59 4.17 0.00 1.90 1.73 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.68 7.81 34 Q 8.13 4.74 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 35 R 7.76 4.22 0.00 1.42 1.51 0.00 2.91 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 36 Q 7.75 5.54 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 37 G 7.95 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00