NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3855 8.3044 120.3279 55.0702 33.3582 173.2981 2 K 3.9626 8.4993 121.5491 56.1792 32.5631 176.3689 3 R 4.4713 8.1408 126.2537 55.1683 32.8169 175.7492 4 T 3.9809 8.4015 107.9183 63.8450 69.0993 174.3117 5 W 4.7101 8.1368 131.7440 56.3851 30.2087 175.4264 6 Q 4.1724 7.1474 126.0829 52.1293 28.0059 172.8130 7 P 3.3164 0.0000 0.0000 62.3372 32.4947 176.7115 8 N 4.3976 8.3010 117.8759 51.9575 40.6478 174.8534 9 R 4.0312 8.5949 128.6176 59.4555 30.1547 178.8161 10 R 3.8977 7.8748 117.7416 59.2705 30.2032 178.3139 11 K 3.8792 7.9625 119.0430 59.3662 32.2296 178.5067 12 R 3.9867 8.6669 119.1658 59.4249 30.0560 178.4682 13 A 4.0169 7.9767 120.1209 55.2422 18.2765 179.5386 14 K 3.8428 8.5124 116.1314 59.7675 32.1557 178.7412 15 T 4.3341 7.9396 114.1774 64.4931 69.2199 175.3485 16 H 4.9373 7.9859 114.6936 55.0870 29.9883 174.1309 17 G 3.9061 8.0434 109.8443 45.4506 0.0000 174.8513 18 F 3.9816 8.9593 121.4762 61.2608 39.3244 177.2973 19 R 3.9726 8.4450 116.8716 59.4972 29.7062 178.4095 20 A 3.9808 8.0439 118.1232 55.5013 18.4845 179.3642 21 R 3.9496 8.1729 116.6674 59.7261 29.9298 179.2352 22 M 4.0050 7.8488 117.2324 58.3883 31.8934 177.7784 23 R 3.9433 7.6234 119.0376 57.5198 30.4756 176.5160 24 T 3.9889 7.2730 113.4739 61.7397 68.9367 173.8512 25 P 4.3927 0.0000 0.0000 65.7813 31.4459 178.8437 26 G 3.7991 8.0905 104.8707 46.6747 0.0000 175.7618 27 G 3.8359 7.7058 109.1263 46.8412 0.0000 176.1056 28 R 3.8498 7.7379 120.3075 58.9018 29.9108 179.3432 29 K 3.9788 7.9170 118.3204 59.1156 32.0264 179.3055 30 V 3.5580 7.4507 118.2962 66.1078 31.3806 177.8089 31 L 3.9547 8.0034 118.5465 57.8869 41.4656 179.2408 32 K 3.8043 8.2197 119.6287 60.0144 31.7414 178.8443 33 R 3.9333 8.2462 118.2285 59.3500 29.9186 179.2878 34 R 4.1054 8.1946 117.6452 58.7105 29.9652 179.4073 35 R 3.9615 8.1877 118.4356 59.1840 30.1917 178.4311 36 Q 4.0952 8.0867 117.3460 58.0405 29.0918 177.1345 37 K 4.4455 7.6980 116.9192 56.4449 33.7926 176.4923 38 G 4.1198 8.5289 105.7464 44.5576 0.0000 173.8105 39 R 3.8456 7.8970 118.7670 56.5818 30.3574 177.5693 40 W 4.5110 8.8851 122.3762 58.6777 29.3670 176.3214 41 R 4.6435 7.5894 116.3495 54.3293 32.5183 175.1134 42 L 4.1721 8.9069 123.9290 57.0653 42.0187 177.0625 43 T 4.7205 7.5130 109.9627 59.0347 70.3388 171.3449 44 P 4.4428 0.0000 0.0000 62.1376 32.0198 176.0134 45 A 4.4403 8.3387 123.5213 51.5694 19.9241 177.5193 46 V 4.7533 7.6387 123.8581 63.5545 33.9409 173.1341 47 R 4.2713 8.6215 112.1566 57.6838 32.7903 172.4123 48 K 3.5219 8.9200 117.7001 57.6349 32.1965 175.8131 49 R 4.2358 8.2844 120.7852 56.4637 30.8320 175.3784 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 M 8.30 4.39 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 K 8.50 3.96 0.00 1.79 1.71 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.50 7.81 3 R 8.14 4.47 0.00 1.89 1.94 0.00 3.45 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 4 T 8.40 3.98 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 1.27 0.00 0.00 5 W 8.14 4.71 0.00 3.40 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.15 4.17 0.00 1.73 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 7 P 0.00 3.32 0.00 1.94 2.10 0.00 3.41 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 8 N 8.30 4.40 0.00 2.59 2.52 0.00 0.00 7.16 7.65 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 9 R 8.59 4.03 0.00 1.91 2.02 0.00 3.21 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 10 R 7.87 3.90 0.00 1.88 1.91 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 11 K 7.96 3.88 0.00 1.88 1.94 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.57 7.81 12 R 8.67 3.99 0.00 2.13 2.14 0.00 3.44 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 13 A 7.98 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 3.84 0.00 1.98 1.91 0.00 1.59 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.55 7.81 15 T 7.94 4.33 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 0.96 0.00 0.00 16 H 7.99 4.94 0.00 3.16 3.27 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.04 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 0.00 0.00 0.00 18 F 8.96 3.98 0.00 3.21 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.44 3.97 0.00 1.96 2.05 0.00 3.27 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 20 A 8.04 3.98 1.32 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 0.00 0.00 0.00 21 R 8.17 3.95 0.00 1.70 2.00 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 22 M 7.85 4.01 0.00 1.82 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 23 R 7.62 3.94 0.00 1.84 1.81 0.00 3.17 0.00 0.00 3.15 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 24 T 7.27 3.99 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 25 P 0.00 4.39 0.00 2.29 2.27 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 26 G 8.09 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.74 3.85 0.00 1.87 1.94 0.00 3.08 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 29 K 7.92 3.98 0.00 1.98 1.84 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.58 7.81 30 V 7.45 3.56 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 31 L 8.00 3.95 0.00 1.87 1.71 0.57 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.22 3.80 0.00 1.90 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 33 R 8.25 3.93 0.00 2.13 1.96 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 34 R 8.19 4.11 0.00 1.90 2.01 0.00 3.12 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 35 R 8.19 3.96 0.00 2.16 1.99 0.00 3.18 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 36 Q 8.09 4.10 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 37 K 7.70 4.45 0.00 1.88 1.86 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 38 G 8.53 4.12 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 0.00 0.00 0.00 39 R 7.90 3.85 0.00 1.96 2.10 0.00 3.27 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 1.68 1.81 0.00 40 W 8.89 4.51 0.00 3.26 3.23 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 0.00 0.00 0.00 0.00 41 R 7.59 4.64 0.00 1.93 2.03 0.00 3.21 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 42 L 8.91 4.17 0.00 1.78 1.83 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.51 4.72 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 44 P 0.00 4.44 0.00 2.14 1.97 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 45 A 8.34 4.44 1.27 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 0.00 0.00 0.00 0.00 0.00 46 V 7.64 4.75 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 1.00 0.00 0.00 0.99 0.00 0.00 47 R 8.62 4.27 0.00 1.93 1.89 0.00 3.27 0.00 0.00 3.19 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 48 K 8.92 3.52 0.00 1.85 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.45 7.81 49 R 8.28 4.24 0.00 1.79 1.75 0.00 3.29 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 1.52 1.58 0.00