NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1R S 4.4063 8.3193 115.2970 57.8045 63.3821 173.0955 1Q E 3.9898 8.8336 126.7964 55.3630 29.8795 174.6266 1P Y 4.4474 8.5143 125.0008 56.3461 42.3449 174.3838 1O Q 4.2369 7.8496 129.1489 54.4762 30.1180 175.3494 1N T 4.3888 8.2555 115.4922 61.7548 69.6614 173.6091 1M F 4.3979 9.7489 124.3406 58.3937 41.3934 175.5573 1L F 4.3991 8.1609 117.7230 55.6392 40.6848 174.5448 1K N 4.7736 8.4133 120.7664 51.3223 39.2034 173.7807 1J P 5.1462 0.0000 0.0000 64.2013 31.4698 178.2260 1I R 4.0205 8.7530 120.1563 58.6143 30.1069 176.8696 1H T 4.5442 8.2729 105.9447 61.3191 70.4971 174.6224 1G F 4.3485 8.3750 122.8021 57.9716 40.4812 175.9079 1F G 3.7269 8.1469 108.5941 44.6365 0.0000 172.2405 1E S 5.0036 7.9211 112.7368 56.8799 65.1288 173.6209 1D G 4.0608 8.8602 107.4719 45.9141 0.0000 175.9700 1C E 4.0145 8.8091 120.7697 59.1161 30.0788 178.4357 1B A 4.1901 8.3228 120.7170 54.7245 18.5026 177.3925 1A D 4.8682 7.4129 112.8627 53.8597 41.8040 176.0791 1 C 4.1259 7.5017 112.5006 58.7742 29.9278 174.7605 2 G 3.8755 8.6723 108.1055 45.7819 0.0000 173.2584 3 L 4.5847 7.2721 118.8546 52.7096 43.2371 176.3074 4 R 4.3247 9.4076 124.6949 54.7839 30.6422 175.6909 5 P 4.2312 0.0000 0.0000 65.6631 31.3904 177.0271 6 L 4.2402 7.7918 114.1236 54.5257 41.2763 176.5831 7 F 4.7592 7.8867 116.0988 57.3836 42.7219 176.7023 8 E 4.0058 8.4963 119.5148 59.8408 29.8973 179.8551 9 K 4.1886 8.0973 115.7558 58.2840 32.2707 177.6804 10 K 4.4800 7.7143 116.9012 55.4271 32.9409 176.0362 11 S 3.7782 7.5960 112.4464 59.9283 60.8293 172.5098 12 L 4.8599 8.5741 118.8089 53.0116 44.8829 176.4984 13 E 4.8340 8.7043 122.0745 54.9424 31.0180 175.5721 14 D 4.8268 9.3941 122.2514 51.9186 40.8041 177.5915 14A K 3.6811 8.6367 119.1317 59.1798 32.1212 177.9694 14B T 4.5776 7.6323 105.8513 60.4712 69.6896 175.5066 14C E 4.0036 8.7630 125.2792 60.1863 29.4058 179.6288 14D R 3.8698 8.0395 121.4132 61.5717 29.0922 181.9157 14E E 4.1141 7.7493 118.4171 58.9788 29.7932 178.8924 14F L 3.9179 7.9265 119.3520 57.7017 41.7870 179.3242 14G L 3.6849 7.6382 118.3307 57.7032 41.3614 179.2691 14H E 4.0616 7.8945 117.8063 58.7582 29.6613 178.7679 14I S 4.3152 7.5707 113.4344 59.9842 62.9455 174.7106 14J Y 4.8434 7.0643 119.9236 58.1643 37.5439 175.2172 14K I 3.7066 7.3162 120.2753 61.1731 38.3071 175.1757 14L D 4.8025 8.5341 127.9537 52.1591 41.1972 176.2213 14M G 3.7272 8.4620 113.6186 45.4929 0.0000 172.4528 15 R 4.1830 8.4464 120.5450 56.1399 30.2922 176.4436 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 1R S 8.32 4.41 0.00 3.88 3.89 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 0.00 0.00 0.00 1Q E 8.83 3.99 0.00 2.22 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 2.32 2.39 0.00 1P Y 8.51 4.45 0.00 2.94 2.91 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 1O Q 7.85 4.24 0.00 1.85 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 1N T 8.26 4.39 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1M F 9.75 4.40 0.00 2.58 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1L F 8.16 4.40 0.00 2.36 2.60 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 0.00 0.00 0.00 1K N 8.41 4.77 0.00 2.70 2.74 0.00 0.00 6.60 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 1J P 0.00 5.15 0.00 2.33 2.49 0.00 3.98 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 1I R 8.75 4.02 0.00 1.95 2.04 0.00 3.39 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 1H T 8.27 4.54 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1G F 8.37 4.35 0.00 3.01 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 1F G 8.15 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 1E S 7.92 5.00 0.00 4.01 3.89 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 0.00 0.00 0.00 1D G 8.86 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.81 4.01 0.00 2.52 2.24 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 2.79 2.63 0.00 1B A 8.32 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A D 7.41 4.87 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.50 4.13 0.00 3.10 3.14 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 2 G 8.67 3.88 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 0.00 0.00 0.00 3 L 7.27 4.58 0.00 1.71 1.62 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.41 4.32 0.00 2.18 2.08 0.00 3.20 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 5 P 0.00 4.23 0.00 2.03 2.15 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 6 L 7.79 4.24 0.00 1.28 1.11 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.89 4.76 0.00 3.01 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 8 E 8.50 4.01 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 9 K 8.10 4.19 0.00 1.87 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.41 7.81 10 K 7.71 4.48 0.00 1.60 1.70 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.56 7.81 11 S 7.60 3.78 0.00 4.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.86 0.00 1.60 1.57 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.70 4.83 0.00 2.00 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 2.32 0.00 14 D 9.39 4.83 0.00 2.51 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A K 8.64 3.68 0.00 1.75 1.94 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.49 7.81 14B T 7.63 4.58 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 14C E 8.76 4.00 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.29 0.00 14D R 8.04 3.87 0.00 1.84 2.00 0.00 3.26 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 14E E 7.75 4.11 0.00 1.88 2.16 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 2.25 2.30 0.00 14F L 7.93 3.92 0.00 1.70 1.50 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.64 3.68 0.00 1.60 1.73 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14H E 7.89 4.06 0.00 1.88 1.97 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 2.32 2.46 0.00 14I S 7.57 4.32 0.00 3.98 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 14J Y 7.06 4.84 0.00 3.13 2.89 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 0.00 0.00 0.00 14K I 7.32 3.71 1.89 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 1.32 0.77 0.93 0.00 0.00 14L D 8.53 4.80 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14M G 8.46 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 15 R 8.45 4.18 0.00 1.81 1.84 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00