NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4175 8.3231 115.4173 58.4959 64.5599 174.7223 2 G 3.6485 7.7151 109.7110 45.4989 0.0000 172.9514 3 N 4.7919 7.3636 123.4857 52.4393 42.4679 171.7518 4 Y 5.0172 8.1727 108.3643 57.1804 44.8833 177.2685 5 V 3.3700 6.0413 113.9889 64.0759 31.2226 178.3776 6 L 3.9609 7.6282 117.1558 58.0657 41.8118 178.9250 7 D 4.5237 8.0555 118.1639 57.2787 40.6984 178.6100 8 L 4.4141 8.0005 119.6080 57.5344 41.5867 179.1290 9 I 3.6782 8.1828 120.6339 64.4244 37.0538 177.6398 10 Y 3.9972 7.8136 117.4365 60.3478 37.4060 178.5742 11 S 3.4005 7.3259 113.7282 59.9886 62.5029 175.4040 12 L 4.0721 7.4771 122.8845 58.0084 41.9147 178.0213 13 H 4.1731 9.1202 119.7824 58.7741 29.8086 177.2381 14 K 3.9214 7.9252 120.3180 59.9579 31.9371 179.2728 15 Q 3.9349 7.6435 117.9992 59.0467 28.5963 178.6034 16 I 3.7177 7.5897 120.3133 64.3227 37.1800 178.1332 17 N 4.3684 8.5276 117.8835 56.0471 38.3264 177.6482 18 R 3.9783 8.1798 119.7589 59.3137 30.2410 179.3851 19 G 3.5747 7.7825 105.4274 47.6610 0.0000 175.3547 20 L 3.9726 8.2085 123.3413 57.8556 42.0900 179.0914 21 K 3.9739 8.5790 119.8819 59.2720 32.1100 178.7049 22 K 4.0049 8.1941 120.0262 59.4382 32.0448 178.8469 23 I 3.7235 7.7997 120.1140 64.5684 36.8755 178.6832 24 V 4.1121 7.3207 119.0379 65.2682 31.3921 177.5010 25 L 4.2028 8.3717 120.1409 57.8026 41.9665 179.0210 26 G 3.7734 8.4135 105.3931 46.0614 0.0000 173.6762 27 W 4.9115 8.2161 130.4098 54.9551 34.1002 174.7003 28 A 4.3326 7.4053 125.7748 52.3869 18.7436 175.8476 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 S 8.32 4.42 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.36 4.79 0.00 2.66 2.53 0.00 0.00 6.81 7.59 0.00 0.00 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 Y 8.17 5.02 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.04 3.37 1.83 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 -0.10 0.00 0.00 0.68 0.00 0.00 6 L 7.63 3.96 0.00 1.54 1.72 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.06 4.52 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.41 0.00 2.04 1.76 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.18 3.68 2.14 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 1.57 1.18 0.95 0.00 0.00 10 Y 7.81 4.00 0.00 3.24 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 3.40 0.00 3.07 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 12 L 7.48 4.07 0.00 1.75 1.67 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 H 9.12 4.17 0.00 3.38 3.29 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 14 K 7.93 3.92 0.00 2.06 2.11 0.00 1.19 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.53 7.81 15 Q 7.64 3.93 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 16 I 7.59 3.72 1.84 0.00 0.00 0.74 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 0.66 0.84 0.00 0.00 17 N 8.53 4.37 0.00 2.96 2.88 0.00 0.00 6.99 7.75 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 18 R 8.18 3.98 0.00 2.18 1.97 0.00 3.22 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 19 G 7.78 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 3.97 0.00 1.80 1.89 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.58 3.97 0.00 1.91 1.94 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 22 K 8.19 4.00 0.00 1.95 1.97 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.64 7.81 23 I 7.80 3.72 2.09 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 1.42 0.53 0.96 0.00 0.00 24 V 7.32 4.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.02 0.00 0.00 25 L 8.37 4.20 0.00 1.66 1.82 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.41 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 0.00 0.00 0.00 27 W 8.22 4.91 0.00 3.35 3.04 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 28 A 7.41 4.33 1.03 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 0.00 0.00