NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9447 8.2127 109.7356 45.5116 0.0000 173.5750 2 I 3.4120 8.1349 117.6034 63.1026 37.8681 173.6539 3 V 3.4797 8.3131 120.0186 66.0783 31.8113 177.3519 4 E 4.0552 7.9965 117.7775 59.2308 29.3841 178.7718 5 Q 3.9503 8.3924 120.0457 59.5937 28.9224 177.9232 6 C 4.2754 8.1191 116.1224 59.6552 40.2059 175.0238 7 C 4.2314 7.3770 118.1988 61.7354 31.6245 175.1946 8 T 4.2096 8.2381 110.2618 62.4488 69.1935 174.7542 9 S 4.7203 8.6556 115.4455 57.7729 62.1081 175.4664 10 I 4.7665 8.2589 110.3182 59.3752 40.1542 172.2358 11 C 4.9968 8.3488 114.2654 53.3647 44.0285 173.6499 12 S 4.9087 8.8435 115.6446 56.6804 66.2397 175.2713 13 L 3.9918 8.2678 121.8997 58.0091 41.0485 179.4211 14 Y 4.0426 7.8175 115.8108 60.8874 38.2879 177.7035 15 Q 4.2628 8.4503 119.1954 59.0694 28.7902 178.7865 16 L 4.1871 8.1009 119.9993 57.7812 41.6327 179.1149 17 E 3.9787 8.3413 119.0366 58.8982 29.2875 178.2021 18 N 4.4374 8.0610 114.9774 55.1516 38.6036 174.9813 19 Y 4.1247 7.6542 116.6904 57.5757 38.6668 175.8438 20 C 4.3696 7.6816 118.2732 59.6066 28.9108 173.2706 21 N 4.4804 8.5474 119.2317 53.9137 38.5689 174.8683 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 G 8.21 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 3.41 1.59 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 1.18 0.98 -0.08 0.00 0.00 3 V 8.31 3.48 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 0.96 0.00 0.00 0.80 0.00 0.00 4 E 8.00 4.06 0.00 2.20 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 2.38 2.40 0.00 5 Q 8.39 3.95 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 6 C 8.12 4.28 0.00 2.94 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.38 4.23 0.00 3.00 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 8 T 8.24 4.21 4.24 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 1.23 0.00 0.00 9 S 8.66 4.72 0.00 3.79 3.17 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 0.00 0.00 0.00 0.00 10 I 8.26 4.77 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 0.80 0.91 0.00 0.00 11 C 8.35 5.00 0.00 3.20 3.16 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 12 S 8.84 4.91 0.00 4.24 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 13 L 8.27 3.99 0.00 1.34 1.53 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.82 4.04 0.00 3.03 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 15 Q 8.45 4.26 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 16 L 8.10 4.19 0.00 1.89 1.76 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.34 3.98 0.00 2.18 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 2.31 2.34 0.00 18 N 8.06 4.44 0.00 2.77 2.51 0.00 0.00 6.90 7.05 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 19 Y 7.65 4.12 0.00 3.19 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 20 C 7.68 4.37 0.00 3.03 2.87 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 21 N 8.55 4.48 0.00 2.66 2.69 0.00 0.00 6.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00