NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9015 8.3393 109.7361 44.9410 0.0000 173.6380 2 S 3.8742 8.0503 114.0900 57.5799 63.5193 172.6469 3 S 4.7036 8.5483 121.5521 56.8071 65.6394 175.3557 4 G 4.5091 8.0906 118.1575 45.2874 0.0000 173.4674 5 S 4.4565 8.0938 109.4599 57.7968 64.5877 175.7283 6 S 4.6559 8.5787 118.2170 57.3769 65.8276 174.7628 7 G 3.8019 8.2976 113.6700 45.2983 0.0000 174.1183 8 R 4.3500 8.4497 116.7292 54.2854 29.4058 174.7393 9 S 4.9022 7.8857 116.3091 56.5908 67.1067 173.0475 10 Y 4.4885 8.7938 120.6469 56.9913 39.0226 174.9790 11 S 4.9608 8.6811 120.2685 57.0489 66.1126 174.3460 12 C 4.5442 9.0194 123.6263 57.3041 30.5249 172.3840 13 P 4.5426 0.0000 0.0000 63.7282 31.2293 177.5934 14 V 3.9370 7.8256 119.1944 65.0421 31.9059 176.8835 15 C 4.8081 7.8562 111.6603 57.7189 29.9591 172.9418 16 E 3.8266 7.7074 117.7065 57.9232 28.4246 174.1338 17 K 4.6647 7.8677 116.6311 54.6400 35.3032 174.7152 18 S 5.3083 8.3003 119.6114 56.9328 66.1962 172.9770 19 F 4.7691 8.2001 118.0849 56.3685 42.6693 175.5178 20 S 4.3483 8.9866 116.0086 61.0524 63.1871 175.1546 21 E 4.4548 7.9611 117.8450 55.3353 29.9738 175.5313 22 D 4.1162 8.1943 118.0508 54.1993 40.5573 178.3711 23 R 4.1392 7.5687 116.1408 57.5794 29.9397 178.4783 24 L 3.8316 7.5145 120.1019 57.7618 41.8910 178.7850 25 I 2.7971 7.1882 117.9559 63.4052 37.7373 178.0292 26 K 3.8618 7.2011 116.2460 59.5407 31.8961 179.3468 27 S 4.0193 7.7031 112.9331 61.5124 62.2632 175.0703 28 H 4.6625 8.3759 122.5321 59.1344 29.3891 176.9041 29 I 3.5271 7.5648 120.5156 64.2686 36.5298 178.1110 30 K 3.8445 7.7468 120.2249 60.0378 31.7862 178.6930 31 T 3.9370 7.9641 109.1046 64.5875 69.3389 175.2417 32 N 4.3335 8.6174 120.3820 55.4665 38.8143 174.9217 33 H 5.4420 7.5639 117.0458 53.2355 28.0944 172.5426 34 P 4.6370 0.0000 0.0000 64.4874 31.7452 178.8266 35 E 4.7402 7.9261 115.6458 55.7987 30.3837 175.5783 36 V 4.5014 7.8936 113.9157 63.6325 31.9334 175.0932 37 S 4.2745 7.7842 120.0110 58.8704 63.6127 174.6360 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 8.34 3.90 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 0.00 0.00 0.00 2 S 8.05 3.87 0.00 4.07 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 3 S 8.55 4.70 0.00 3.84 3.80 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 4 G 8.09 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.46 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.66 0.00 3.93 3.82 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 0.00 0.00 0.00 7 G 8.30 3.80 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 0.00 0.00 0.00 8 R 8.45 4.35 0.00 1.79 1.82 0.00 3.28 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 9 S 7.89 4.90 0.00 3.70 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 10 Y 8.79 4.49 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 4.96 0.00 3.78 3.82 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 0.00 0.00 0.00 12 C 9.02 4.54 0.00 3.28 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 13 P 0.00 4.54 0.00 2.23 2.17 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 14 V 7.83 3.94 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 0.51 0.00 0.00 0.93 0.00 0.00 15 C 7.86 4.81 0.00 3.16 3.06 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 0.00 0.00 0.00 0.00 16 E 7.71 3.83 0.00 2.06 1.99 0.00 0.00 0.00 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 2.28 0.00 17 K 7.87 4.66 0.00 2.02 1.68 0.00 1.55 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.89 1.25 7.81 18 S 8.30 5.31 0.00 3.70 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.20 4.77 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 20 S 8.99 4.35 0.00 3.91 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 21 E 7.96 4.45 0.00 1.96 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 0.00 2.26 2.29 0.00 22 D 8.19 4.12 0.00 2.07 2.13 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 0.00 23 R 7.57 4.14 0.00 1.97 2.12 0.00 2.91 0.00 0.00 3.43 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 24 L 7.51 3.83 0.00 1.64 1.60 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.19 2.80 1.67 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.15 0.82 0.00 0.00 26 K 7.20 3.86 0.00 1.90 1.76 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.44 7.81 27 S 7.70 4.02 0.00 3.91 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.38 4.66 0.00 2.98 3.03 0.00 5.90 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.56 3.53 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 0.97 0.00 0.00 30 K 7.75 3.84 0.00 1.83 1.99 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 31 T 7.96 3.94 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 32 N 8.62 4.33 0.00 2.30 2.66 0.00 0.00 7.03 8.35 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 33 H 7.56 5.44 0.00 3.24 3.20 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.64 0.00 2.17 2.17 0.00 3.35 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 35 E 7.93 4.74 0.00 2.04 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 0.00 2.16 2.26 0.00 36 V 7.89 4.50 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 0.91 0.00 0.00 0.95 0.00 0.00 37 S 7.78 4.27 0.00 3.84 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00