NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6347 8.3049 118.3344 54.8119 32.7526 175.1439 2 K 4.0262 8.4979 120.8337 56.3383 32.9063 172.8327 3 V 3.6983 8.0542 115.7061 63.5526 33.7915 176.9341 4 R 3.0651 7.4369 110.1188 56.4051 31.2068 175.4580 5 A 4.2360 8.3869 124.5982 53.6396 19.3005 178.0271 6 S 4.7353 7.8702 109.8313 56.9760 64.7124 173.1944 7 V 4.3162 8.2944 116.3220 61.9691 33.0892 174.3492 8 K 3.8750 7.7806 122.3842 55.4525 31.6166 175.6096 9 K 4.4592 8.2290 119.8626 55.8177 33.4982 176.6550 10 L 4.4500 8.2364 117.5163 55.7963 44.4942 176.0035 11 C 4.8526 7.5511 111.8080 53.0718 43.9207 174.3166 12 R 3.9572 8.4242 115.3354 57.9156 29.0784 176.8358 13 N 4.7360 7.8403 114.6311 53.6869 39.9205 175.0053 14 C 4.9157 7.1997 113.7821 59.6212 28.6592 173.8340 15 K 4.3945 8.0977 117.9920 54.5042 34.0018 175.3321 16 I 3.3199 8.0682 118.8050 61.7051 35.7414 173.3227 17 V 4.3361 8.6093 123.7157 61.0481 34.6260 173.4395 18 K 4.8511 8.6110 128.0274 55.1253 32.7624 175.6053 19 R 4.7276 8.5586 125.6130 55.6127 33.9118 175.9725 20 D 4.2253 8.2757 121.2546 56.0554 40.1870 174.7185 21 G 4.1077 8.8347 114.6781 45.9678 0.0000 172.2057 22 V 4.4710 8.1140 119.9871 60.5398 34.9922 174.7706 23 I 4.4641 8.3495 128.3608 61.4477 38.3698 175.1434 24 R 5.2297 9.3110 124.7934 54.4749 35.1524 174.0770 25 V 4.6997 8.5219 119.6494 61.2401 34.8684 174.2456 26 I 4.6246 8.3305 127.2477 59.6689 40.4926 174.5004 27 C 5.2363 8.8910 127.4044 54.9916 44.8506 173.6477 28 S 4.1961 8.9443 119.0878 59.0138 63.6819 174.3642 29 A 4.3732 7.9853 123.0233 52.9783 20.3699 176.1738 30 E 4.4567 7.7479 117.5124 53.5271 31.0424 174.0153 31 P 4.3441 0.0000 0.0000 65.4445 31.5808 179.0746 32 K 4.0775 7.8308 116.0735 58.9820 31.9423 177.5456 33 H 4.6013 8.4065 114.9925 56.5109 29.3826 175.5320 34 K 4.3951 7.7668 123.0698 56.7589 33.0100 175.6962 35 Q 5.0767 8.7819 124.9187 54.5773 33.6500 174.1744 36 R 4.7489 8.4973 121.8737 55.1082 33.4654 173.9220 37 Q 3.2450 8.6794 115.6482 57.1192 27.4425 174.3112 38 G 3.7547 7.9117 109.8199 45.9594 0.0000 173.2377 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 4.63 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 K 8.50 4.03 0.00 1.85 1.77 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.48 7.81 3 V 8.05 3.70 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 0.75 0.00 0.00 0.93 0.00 0.00 4 R 7.44 3.07 0.00 2.00 2.27 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.91 0.00 5 A 8.39 4.24 1.30 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 0.00 0.00 6 S 7.87 4.74 0.00 3.97 3.87 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 7 V 8.29 4.32 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 1.14 0.00 0.00 0.93 0.00 0.00 8 K 7.78 3.88 0.00 1.90 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.44 7.81 9 K 8.23 4.46 0.00 1.69 1.71 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.50 7.81 10 L 8.24 4.45 0.00 1.04 1.45 0.93 0.82 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 11 C 7.55 4.85 0.00 3.11 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 12 R 8.42 3.96 0.00 1.94 2.10 0.00 3.01 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 13 N 7.84 4.74 0.00 2.74 2.90 0.00 0.00 6.96 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 7.20 4.92 0.00 3.11 2.88 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 15 K 8.10 4.39 0.00 1.82 1.78 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.58 7.81 16 I 8.07 3.32 1.87 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 1.29 0.63 0.91 0.00 0.00 17 V 8.61 4.34 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 0.93 0.00 0.00 0.93 0.00 0.00 18 K 8.61 4.85 0.00 1.75 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.44 7.81 19 R 8.56 4.73 0.00 1.87 1.76 0.00 3.32 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 20 D 8.28 4.23 0.00 2.77 1.91 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 21 G 8.83 4.11 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 0.00 0.00 0.00 22 V 8.11 4.47 2.17 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 0.97 0.00 0.00 0.93 0.00 0.00 23 I 8.35 4.46 1.87 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 1.34 0.95 0.91 0.00 0.00 24 R 9.31 5.23 0.00 1.78 1.76 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 25 V 8.52 4.70 2.17 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 1.02 0.00 0.00 0.97 0.00 0.00 26 I 8.33 4.62 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 1.23 0.81 0.92 0.00 0.00 27 C 8.89 5.24 0.00 3.03 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 28 S 8.94 4.20 0.00 4.02 3.97 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 0.00 0.00 0.00 29 A 7.99 4.37 1.30 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 0.00 0.00 30 E 7.75 4.46 0.00 1.94 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 31 P 0.00 4.34 0.00 2.19 2.09 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 32 K 7.83 4.08 0.00 1.64 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.60 7.81 33 H 8.41 4.60 0.00 3.21 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.77 4.40 0.00 1.80 1.69 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.60 7.81 35 Q 8.78 5.08 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.25 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 36 R 8.50 4.75 0.00 1.75 1.80 0.00 3.41 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 37 Q 8.68 3.24 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 38 G 7.91 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00