NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1R S 4.5137 8.3193 115.2940 58.0874 64.5069 173.9366 1Q E 4.4570 8.2753 114.1610 56.2937 33.2083 173.2843 1P Y 4.5650 8.3549 120.9429 55.5972 41.8306 175.9790 1O Q 4.4140 7.7352 125.5862 52.7516 29.9785 172.3896 1N T 4.3505 8.3261 113.7743 61.2233 69.2126 173.4006 1M F 4.5043 9.6422 120.9801 58.8518 42.0846 174.9870 1L F 4.2222 7.7408 116.8369 55.5431 40.4024 174.9057 1K N 4.5679 8.4760 122.1766 52.2762 39.1274 174.1443 1J P 4.6545 0.0000 0.0000 65.4933 31.5634 178.4161 1I R 3.8349 8.7757 119.9447 59.4598 29.9294 177.3809 1H T 4.3934 7.8625 104.2896 61.8170 69.7903 174.8032 1G F 4.4350 8.4139 123.9559 58.0966 40.2391 175.5341 1F G 3.7599 8.0139 105.5128 44.4322 0.0000 172.5603 1E S 4.5777 7.8682 114.2023 57.9453 63.7913 174.4098 1D G 4.1262 8.8607 109.2696 45.9946 0.0000 176.0053 1C E 4.0880 8.7476 120.4386 59.2149 30.0024 178.3633 1B A 4.2350 8.3426 120.3258 54.7898 18.7806 177.3665 1A D 4.8615 7.8415 112.7027 53.8039 41.5036 175.5304 1 C 4.2091 7.5511 112.7128 59.4683 29.8274 174.2922 2 G 3.7872 8.9434 110.2866 45.1195 0.0000 173.1412 3 L 4.5305 6.9117 118.5467 52.5648 42.2697 176.4138 4 R 4.1352 8.6765 124.3346 55.3318 30.5739 176.5733 5 P 4.2499 0.0000 0.0000 65.3899 31.4567 177.0887 6 L 4.5389 7.8511 114.7342 54.2381 42.8422 175.7165 7 F 4.7984 8.5944 117.1668 57.9292 39.7387 176.6999 8 E 4.2262 10.0271 129.4624 60.4802 29.8600 179.2836 9 K 4.3382 8.0687 114.2454 57.9017 32.4166 177.3591 10 K 4.5585 9.3359 118.6826 55.7116 33.2719 176.5858 11 S 3.8896 7.9157 111.7230 59.4133 61.0258 172.2424 12 L 4.8482 7.3057 117.5173 53.0623 43.7369 175.8592 13 E 5.0924 8.5528 119.6638 54.7382 32.4620 175.6271 14 D 4.9417 9.0165 121.3691 51.7999 41.0189 177.4924 14A K 3.6717 8.6948 119.2769 59.5036 31.7104 177.9763 14B T 4.6512 7.6666 106.6700 60.6560 69.4362 175.5956 14C E 3.9733 8.4696 123.6058 59.6154 29.6070 178.5556 14D R 3.8148 7.8650 119.7842 59.2486 29.9679 177.7090 14E E 3.8960 7.5102 117.6188 59.0213 29.2807 178.6314 14F L 3.9321 7.6123 119.1494 57.4614 41.8001 179.1930 14G L 3.3398 7.4188 118.3461 57.5003 41.3497 179.0651 14H E 3.9345 7.8557 117.8984 59.5056 29.5276 179.3898 14I S 4.3068 7.3355 111.2530 60.3175 64.4455 174.7834 14J Y 4.6490 7.5312 122.1418 58.5997 35.8426 175.6865 14K I 3.6671 7.6879 123.5832 61.8749 37.4765 174.4434 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 4.51 0.00 3.87 3.99 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 0.00 0.00 0.00 1Q E 8.28 4.46 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 1P Y 8.35 4.57 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.41 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 1N T 8.33 4.35 4.31 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 0.00 0.00 0.00 1.34 0.00 0.00 1M F 9.64 4.50 0.00 2.56 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 1L F 7.74 4.22 0.00 2.31 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 1K N 8.48 4.57 0.00 2.77 2.71 0.00 0.00 6.70 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 4.65 0.00 2.33 2.43 0.00 3.80 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 2.13 2.03 0.00 1I R 8.78 3.83 0.00 2.17 2.03 0.00 3.26 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 1H T 7.86 4.39 4.31 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 0.00 0.00 0.00 1.25 0.00 0.00 1G F 8.41 4.43 0.00 3.05 3.24 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 1F G 8.01 3.76 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 0.00 0.00 0.00 1E S 7.87 4.58 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.75 4.09 0.00 2.55 2.27 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 2.90 2.72 0.00 1B A 8.34 4.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.86 0.00 2.79 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 1 C 7.55 4.21 0.00 3.06 3.06 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 2 G 8.94 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 0.00 0.00 0.00 3 L 6.91 4.53 0.00 1.74 1.64 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.68 4.14 0.00 2.24 2.06 0.00 3.15 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 5 P 0.00 4.25 0.00 2.05 2.13 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 6 L 7.85 4.54 0.00 1.40 1.26 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.59 4.80 0.00 3.05 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 8 E 10.03 4.23 0.00 2.12 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 0.00 2.44 2.49 0.00 9 K 8.07 4.34 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.48 7.81 10 K 9.34 4.56 0.00 1.68 1.67 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.54 7.81 11 S 7.92 3.89 0.00 4.03 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.85 0.00 1.66 1.56 0.71 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.55 5.09 0.00 1.97 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 2.24 2.30 0.00 14 D 9.02 4.94 0.00 2.63 1.90 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 14A K 8.69 3.67 0.00 1.76 1.95 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.50 7.81 14B T 7.67 4.65 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14C E 8.47 3.97 0.00 2.15 2.30 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 2.52 2.26 0.00 14D R 7.86 3.81 0.00 1.96 1.93 0.00 3.30 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.25 0.00 14E E 7.51 3.90 0.00 1.97 2.13 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 0.00 2.27 2.32 0.00 14F L 7.61 3.93 0.00 1.87 1.32 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.42 3.34 0.00 1.56 1.64 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14H E 7.86 3.93 0.00 1.87 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 2.52 0.00 14I S 7.34 4.31 0.00 4.08 3.94 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 0.00 0.00 0.00 14J Y 7.53 4.65 0.00 3.12 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 14K I 7.69 3.67 1.91 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 1.30 0.40 0.94 0.00 0.00