NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3796 8.3001 120.3280 55.1069 33.4678 174.2955 2 A 4.3151 8.1982 122.0814 51.6533 20.3166 175.6537 3 A 4.2175 8.0504 124.9327 51.6815 21.3370 177.2893 4 Q 4.2942 8.7380 116.1878 56.5430 28.7804 178.2156 5 K 3.5859 8.0195 128.6272 56.0064 31.7519 176.6418 6 S 5.1902 8.0627 125.2136 58.9379 64.2974 177.4469 7 F 4.4296 8.2804 128.0807 61.2695 39.2589 177.2745 8 R 3.7717 8.1656 120.1343 59.4218 29.3168 178.3715 9 I 3.7418 7.3715 119.3957 64.1839 36.9457 178.3072 10 K 3.8925 7.9419 120.4500 59.6003 31.9164 178.9427 11 Q 3.8462 7.5583 117.6157 58.1548 28.1988 177.9292 12 K 4.3173 7.5916 117.5343 57.7963 32.9557 177.6341 13 M 4.1234 7.7280 118.8071 55.9938 33.1538 177.5934 14 A 4.0167 7.5648 121.9678 54.7924 18.5930 179.5244 15 K 3.9669 7.8594 118.1975 59.5700 32.1518 178.9500 16 A 4.0158 7.5709 120.8700 54.9175 18.0168 179.5519 17 K 3.9029 7.5813 117.3058 59.5337 32.3665 178.7284 18 K 4.0834 7.4534 117.7421 59.4331 32.2558 178.2193 19 Q 4.0702 7.9062 118.0910 56.8020 29.4233 175.4863 20 N 4.1460 6.9477 117.9724 54.3628 39.4182 174.1316 21 R 4.0425 8.1365 122.3941 54.8102 30.9035 175.6570 22 P 3.4915 0.0000 0.0000 64.3466 28.0918 173.1129 23 L 4.0009 7.7166 133.7188 55.1709 46.1918 173.2189 24 P 4.3574 0.0000 0.0000 62.2326 32.1503 175.0189 25 Q 4.2066 7.0897 115.2700 55.7122 30.6898 177.0466 26 W 4.2875 6.5169 113.1051 58.2929 28.8365 176.5433 27 I 4.2709 6.8581 118.4282 61.7219 38.2777 177.0150 28 R 4.0013 7.2331 119.6993 58.7324 30.2046 177.5390 29 L 4.1232 8.0131 117.2512 57.5198 41.7131 177.8753 30 R 4.5277 7.6683 114.3886 55.8843 30.1402 175.5611 31 T 4.6790 7.0090 107.2159 60.7556 71.9426 172.3169 32 N 4.2851 8.6692 115.5922 54.7172 35.4279 175.3502 33 N 4.5116 8.2029 116.5256 53.2591 38.9333 175.4126 34 T 3.3563 8.3306 101.2815 62.7792 66.8955 169.6542 35 I 3.3054 6.7383 127.7701 59.9072 39.3900 174.1461 36 R 4.4718 8.2804 126.1260 56.4701 32.9967 173.7543 37 Y 3.7576 8.5035 121.3573 57.9601 39.4897 168.8115 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 4.38 0.00 2.03 2.12 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 2.51 2.55 0.00 2 A 8.20 4.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.22 1.16 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 0.00 0.00 4 Q 8.74 4.29 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 5.91 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 5 K 8.02 3.59 0.00 1.89 1.25 0.00 1.96 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.36 7.81 6 S 8.06 5.19 0.00 4.10 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 7 F 8.28 4.43 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.77 0.00 1.90 1.91 0.00 3.23 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 9 I 7.37 3.74 1.90 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 1.41 0.70 0.92 0.00 0.00 10 K 7.94 3.89 0.00 1.89 2.05 0.00 1.78 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.54 7.81 11 Q 7.56 3.85 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 12 K 7.59 4.32 0.00 1.77 2.00 0.00 1.26 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.45 7.81 13 M 7.73 4.12 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 14 A 7.56 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.97 0.00 1.76 1.79 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 16 A 7.57 4.02 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 17 K 7.58 3.90 0.00 1.91 1.85 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.60 7.81 18 K 7.45 4.08 0.00 1.87 1.99 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 19 Q 7.91 4.07 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 20 N 6.95 4.15 0.00 2.75 2.81 0.00 0.00 7.02 7.52 0.00 0.00 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 R 8.14 4.04 0.00 1.77 1.76 0.00 3.30 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 22 P 0.00 3.49 0.00 2.18 2.18 0.00 3.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 23 L 7.72 4.00 0.00 1.38 1.48 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.36 0.00 1.51 1.83 0.00 3.59 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 25 Q 7.09 4.21 0.00 1.81 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 26 W 6.52 4.29 0.00 3.58 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 6.86 4.27 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.22 0.27 0.00 0.00 28 R 7.23 4.00 0.00 1.64 2.02 0.00 3.25 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 29 L 8.01 4.12 0.00 1.84 1.74 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.67 4.53 0.00 1.85 1.98 0.00 3.30 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 31 T 7.01 4.68 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 1.26 0.00 0.00 32 N 8.67 4.29 0.00 2.91 2.99 0.00 0.00 6.83 8.00 0.00 0.00 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 N 8.20 4.51 0.00 2.76 2.90 0.00 0.00 6.51 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 34 T 8.33 3.36 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 1.21 0.00 0.00 35 I 6.74 3.31 1.86 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 1.30 0.79 0.90 0.00 0.00 36 R 8.28 4.47 0.00 1.75 1.75 0.00 3.40 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 37 Y 8.50 3.76 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00