NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3851 8.3044 120.6141 55.4424 34.0406 174.8488 2 K 4.1799 8.5785 125.9473 53.6933 33.8307 169.1161 3 V 4.7901 8.9846 127.5931 61.4348 31.9579 174.2827 4 R 4.7065 8.1998 126.3343 54.0999 33.3320 177.2034 5 S 3.9970 8.8985 116.6160 60.6130 62.6690 174.0551 6 S 4.4275 7.7398 115.1164 56.4545 61.0960 171.5632 7 V 4.1311 7.9464 125.3796 60.8937 31.8360 175.2581 8 K 4.6229 8.2286 125.1079 54.7644 35.3789 175.7121 9 K 3.9534 8.4225 119.8944 57.4903 32.5412 176.7284 10 M 4.6706 7.9414 115.5244 54.5362 35.4186 174.5076 11 C 4.8225 7.2104 113.4762 57.9982 31.6686 173.8142 12 D 5.1564 8.5075 119.8480 53.8794 39.3321 176.5134 13 N 4.9846 7.7544 113.9039 54.1550 45.5913 174.5670 14 C 4.2962 7.9939 115.8408 60.4839 27.8197 173.6266 15 K 4.2668 9.4989 124.5988 54.6139 32.1151 175.6444 16 V 4.3728 8.2306 124.6293 62.8484 31.8812 175.0806 17 V 4.3648 8.3951 127.7084 61.4025 34.8159 174.4886 18 R 5.1614 8.2131 122.9219 53.4714 29.8913 177.6684 19 R 4.2323 8.0377 129.5150 55.5935 31.0892 176.3652 20 H 4.0036 9.2585 123.7458 58.6911 29.5793 176.0423 21 G 4.2801 8.5023 116.1207 46.0874 0.0000 172.3265 22 R 4.5702 7.6491 119.6326 53.9603 33.3584 173.4847 23 V 4.5785 8.1974 123.3003 61.8509 33.5663 174.6487 24 L 4.8836 8.8373 126.9982 53.2902 46.6451 175.8607 25 V 4.2619 8.1070 118.7270 61.9662 33.4992 172.7095 26 I 4.5193 8.3389 121.6408 59.6163 38.9308 174.3589 27 C 5.3271 8.6936 127.1362 55.9782 33.7420 173.6980 28 S 4.1731 9.0458 120.4559 61.3406 62.5314 174.5751 29 N 4.6220 7.8649 118.4675 52.3907 39.5811 175.0248 30 V 3.8238 8.3874 118.9098 64.3055 32.0164 178.4394 31 K 3.9237 8.1169 117.5608 59.2422 31.9595 177.4025 32 H 4.4616 8.2416 114.8037 57.2523 29.2189 174.8091 33 K 4.7553 9.7660 119.0015 56.8642 32.7976 176.2538 34 Q 5.0775 8.3111 123.4590 53.7079 32.3934 175.1909 35 R 4.7149 8.0659 118.7301 56.4872 33.8218 174.7528 36 Q 4.8509 8.1898 126.9755 57.6279 29.1139 177.4630 37 G 3.7277 7.8478 109.9040 45.5728 0.0000 172.2506 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 M 8.30 4.39 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 K 8.58 4.18 0.00 1.90 1.70 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.46 7.81 3 V 8.98 4.79 2.08 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 1.03 0.00 0.00 1.02 0.00 0.00 4 R 8.20 4.71 0.00 1.76 1.76 0.00 3.18 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 5 S 8.90 4.00 0.00 3.82 3.88 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 0.00 0.00 0.00 6 S 7.74 4.43 0.00 3.85 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 7 V 7.95 4.13 2.08 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 0.89 0.00 0.00 1.02 0.00 0.00 8 K 8.23 4.62 0.00 1.83 1.69 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.44 7.81 9 K 8.42 3.95 0.00 1.72 1.81 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.71 7.81 10 M 7.94 4.67 0.00 1.59 1.46 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 11 C 7.21 4.82 0.00 3.11 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 12 D 8.51 5.16 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 4.98 0.00 2.62 2.85 0.00 0.00 6.97 7.66 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 14 C 7.99 4.30 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 9.50 4.27 0.00 1.77 1.77 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.61 7.81 16 V 8.23 4.37 2.08 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 1.10 0.00 0.00 0.93 0.00 0.00 17 V 8.40 4.36 2.08 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 1.04 0.00 0.00 0.98 0.00 0.00 18 R 8.21 5.16 0.00 1.69 1.83 0.00 3.66 0.00 0.00 3.65 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.40 0.00 19 R 8.04 4.23 0.00 1.82 1.81 0.00 3.23 0.00 0.00 3.16 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 20 H 9.26 4.00 0.00 3.18 3.25 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.50 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.57 0.00 1.97 1.71 0.00 3.21 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 23 V 8.20 4.58 2.18 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 0.93 0.00 0.00 0.93 0.00 0.00 24 L 8.84 4.88 0.00 1.62 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.11 4.26 2.18 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 1.17 0.00 0.00 0.93 0.00 0.00 26 I 8.34 4.52 1.88 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 1.31 0.71 0.92 0.00 0.00 27 C 8.69 5.33 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 28 S 9.05 4.17 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.86 4.62 0.00 2.60 2.59 0.00 0.00 7.00 7.71 0.00 0.00 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 V 8.39 3.82 2.08 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 0.77 0.00 0.00 0.92 0.00 0.00 31 K 8.12 3.92 0.00 1.77 1.90 0.00 1.60 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 32 H 8.24 4.46 0.00 3.41 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.77 4.76 0.00 1.81 1.81 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.41 7.81 34 Q 8.31 5.08 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.56 0.00 35 R 8.07 4.71 0.00 1.93 1.90 0.00 3.11 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 36 Q 8.19 4.85 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 37 G 7.85 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 0.00 0.00 0.00