NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2729 8.3144 120.1341 56.0675 32.9247 176.9978 3 V 3.3860 9.0397 134.2981 63.5849 32.0161 175.5251 4 R 3.7753 8.2219 122.4650 57.8281 31.6621 175.1440 5 S 4.5315 9.1993 112.4945 59.3950 65.0673 174.4593 6 S 4.5663 8.8436 122.9716 58.5064 59.7500 170.3871 7 V 3.7816 8.0863 120.1908 63.8159 32.2653 176.6442 8 K 4.5606 8.1746 127.2905 56.7521 33.1772 176.3941 9 K 3.5454 7.9401 114.6272 57.7094 31.2192 173.2656 10 M 4.5962 7.8992 118.0327 55.2771 35.0383 174.8789 11 C 4.2456 8.5526 113.9267 56.2294 42.7977 175.6457 12 D 4.7678 8.4915 118.1435 54.6949 39.6041 177.6091 13 N 4.7914 8.3045 113.2738 54.2446 41.2821 173.8121 14 C 4.5269 8.1034 117.1445 56.9135 38.4331 173.4394 15 K 4.2400 9.2528 125.1779 55.9471 33.1228 176.7678 16 V 4.2477 8.4580 125.7055 62.2188 31.3669 174.8980 17 V 4.5073 8.7634 127.8676 60.9422 35.1079 174.3727 18 R 5.2136 8.5196 123.7820 54.4702 31.4910 176.0816 19 R 4.4606 8.7043 121.1523 55.7006 32.4529 175.3967 20 H 3.8032 9.6107 119.9341 58.2463 25.8393 174.4282 21 G 4.1429 7.8907 101.3464 46.1733 0.0000 171.2415 22 R 4.2817 7.9510 119.1773 54.7215 31.3965 175.4728 23 V 4.6652 8.2479 122.8205 61.5692 32.8485 174.2845 24 L 5.1878 8.7939 127.5999 52.8172 46.3370 175.7800 25 V 5.4068 8.7714 120.9469 60.5714 34.5149 174.1700 26 I 4.7670 8.3094 127.9986 60.1250 39.4539 174.5979 27 C 4.4703 8.3248 125.7923 58.6954 33.9866 173.6889 28 S 4.7396 8.7562 115.2343 58.0970 63.5192 173.0220 29 N 5.0538 7.7729 118.4789 51.3648 41.3738 175.3927 30 V 3.4863 8.5530 122.0355 66.1565 31.6499 177.9020 31 K 3.9697 8.0714 115.8885 58.1215 32.4258 176.1039 32 H 4.5768 8.4337 116.2559 58.3686 31.0784 176.8549 33 K 4.5889 6.8969 114.5549 55.4627 27.5526 172.9582 34 Q 4.4112 8.5314 121.5782 54.8472 31.0348 174.5761 35 R 4.8026 8.5022 126.4035 54.7208 33.4007 174.7752 36 Q 4.6092 8.5292 124.4924 55.3019 28.5329 175.7653 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 2 K 8.31 4.27 0.00 1.84 1.37 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 V 9.04 3.39 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 1.00 0.00 0.00 0.93 0.00 0.00 4 R 8.22 3.78 0.00 2.08 1.98 0.00 3.10 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 5 S 9.20 4.53 0.00 3.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.57 0.00 4.05 4.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 8 K 8.17 4.56 0.00 1.74 1.68 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.45 7.81 9 K 7.94 3.55 0.00 1.81 1.73 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.37 7.81 10 M 7.90 4.60 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 11 C 8.55 4.25 0.00 3.09 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 D 8.49 4.77 0.00 2.69 2.73 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 13 N 8.30 4.79 0.00 2.60 2.73 0.00 0.00 6.88 7.31 0.00 0.00 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 8.10 4.53 0.00 2.84 2.97 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 15 K 9.25 4.24 0.00 1.81 1.72 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.37 7.81 16 V 8.46 4.25 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 0.74 0.00 0.00 0.93 0.00 0.00 17 V 8.76 4.51 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 0.98 0.00 0.00 18 R 8.52 5.21 0.00 1.72 1.85 0.00 3.20 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 19 R 8.70 4.46 0.00 1.89 1.89 0.00 3.20 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 20 H 9.61 3.80 0.00 3.37 3.36 0.00 5.96 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 7.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.28 0.00 2.44 1.74 0.00 3.09 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.93 0.00 23 V 8.25 4.67 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 1.00 0.00 0.00 0.93 0.00 0.00 24 L 8.79 5.19 0.00 1.60 1.60 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.77 5.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.05 0.00 0.00 26 I 8.31 4.77 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 1.23 0.49 0.91 0.00 0.00 27 C 8.32 4.47 0.00 2.74 2.73 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 28 S 8.76 4.74 0.00 4.00 3.92 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 29 N 7.77 5.05 0.00 2.81 2.72 0.00 0.00 6.67 7.68 0.00 0.00 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 8.55 3.49 2.07 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 0.99 0.00 0.00 0.93 0.00 0.00 31 K 8.07 3.97 0.00 1.66 1.73 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.39 7.81 32 H 8.43 4.58 0.00 3.14 3.30 0.00 5.86 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 6.90 4.59 0.00 1.87 1.98 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.56 7.81 34 Q 8.53 4.41 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 35 R 8.50 4.80 0.00 1.87 1.86 0.00 3.21 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 36 Q 8.53 4.61 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.32 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00