NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2689 8.1127 120.8597 56.6168 32.1815 177.2047 2 M 3.7778 7.9857 116.7526 57.5840 31.8789 176.6320 3 K 3.9106 8.7228 120.9210 59.5939 33.0070 178.2326 4 Q 3.9778 8.0110 117.8163 58.9681 28.6150 178.4077 5 I 3.6924 7.9605 121.0564 64.8342 37.1940 178.3043 6 E 3.9744 8.2461 119.0109 59.3257 29.2302 179.1829 7 D 4.3210 7.9976 119.1162 57.2937 41.0274 178.7286 8 K 3.9936 8.5764 120.4720 59.4332 32.2012 178.9722 9 I 3.7528 7.9472 120.5081 64.3563 36.8825 178.1821 10 E 3.9943 8.1921 119.4704 59.4165 29.3472 179.2563 11 E 3.9834 8.0445 118.2387 59.5371 29.5181 179.5261 12 I 3.8255 7.5946 119.3860 64.1955 37.2661 178.5064 13 L 4.0550 7.8750 119.8290 57.9328 41.3300 179.7461 14 S 4.1831 7.9417 115.2005 61.0886 62.6909 176.6271 15 K 3.9557 7.8941 122.0436 59.5498 32.0231 178.7065 16 I 3.6984 7.7668 120.0386 64.8735 36.8948 177.8696 17 Y 4.1601 7.7792 118.1538 60.6809 38.7447 177.3173 18 H 4.3569 8.2888 119.1939 59.4908 30.0908 177.1438 19 I 3.7335 7.7624 121.5440 64.6925 36.9657 178.1602 20 E 4.0475 8.3090 118.6657 58.7219 29.3502 178.8902 21 N 4.2944 8.0480 117.2104 55.6852 38.6450 177.1786 22 E 3.8960 7.9052 119.5375 59.4218 29.6222 179.2140 23 I 3.6236 7.6617 119.4075 64.4715 37.0004 178.2855 24 A 3.9663 7.7213 119.9897 55.0766 18.3118 179.4827 25 R 3.9258 7.8264 116.6639 59.8387 30.3983 178.8820 26 I 3.6809 8.0601 119.7875 64.2762 37.1378 178.5167 27 K 4.1135 7.9641 119.2807 58.9294 31.6296 179.4707 28 K 4.1488 8.0606 118.8121 59.1122 32.1139 178.9151 29 L 4.2038 7.4905 117.1734 55.1260 41.9483 177.5301 30 I 4.4038 7.6932 108.1643 60.9561 37.3271 175.9018 31 G 3.7261 8.8826 108.4009 45.4840 0.0000 172.8464 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 R 8.11 4.27 0.00 1.90 1.98 0.00 3.21 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 2 M 7.99 3.78 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 3 K 8.72 3.91 0.00 1.83 1.78 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.47 7.81 4 Q 8.01 3.98 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 7.96 3.69 2.04 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 1.52 0.79 0.91 0.00 0.00 6 E 8.25 3.97 0.00 2.02 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 2.33 2.63 0.00 7 D 8.00 4.32 0.00 2.91 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 8 K 8.58 3.99 0.00 1.81 1.95 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 I 7.95 3.75 2.03 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 1.52 1.11 0.91 0.00 0.00 10 E 8.19 3.99 0.00 2.22 1.98 0.00 0.00 0.00 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 2.38 0.00 11 E 8.04 3.98 0.00 2.12 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 2.33 2.35 0.00 12 I 7.59 3.83 2.03 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 1.53 0.77 0.92 0.00 0.00 13 L 7.87 4.06 0.00 1.92 1.71 0.91 0.66 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 14 S 7.94 4.18 0.00 3.94 3.91 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 15 K 7.89 3.96 0.00 2.06 1.95 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.57 7.81 16 I 7.77 3.70 2.19 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.96 0.00 0.00 17 Y 7.78 4.16 0.00 3.01 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 18 H 8.29 4.36 0.00 3.32 3.61 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.76 3.73 2.04 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 1.52 0.60 0.89 0.00 0.00 20 E 8.31 4.05 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 21 N 8.05 4.29 0.00 2.65 2.74 0.00 0.00 6.83 8.13 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 22 E 7.91 3.90 0.00 2.05 1.94 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 2.31 2.30 0.00 23 I 7.66 3.62 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.88 0.00 0.00 24 A 7.72 3.97 1.24 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 0.00 0.00 0.00 25 R 7.83 3.93 0.00 2.17 2.07 0.00 3.09 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 26 I 8.06 3.68 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 0.90 0.00 0.00 27 K 7.96 4.11 0.00 2.06 1.83 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 28 K 8.06 4.15 0.00 1.85 1.85 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 29 L 7.49 4.20 0.00 1.89 1.72 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.69 4.40 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.97 0.00 0.00 31 G 8.88 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