NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1554 8.2649 123.5823 52.6513 19.4828 175.6409 3 K 3.5059 7.6317 123.7245 53.7572 32.0455 173.5146 4 D 4.1733 8.1579 114.9172 52.4326 41.9757 173.5797 5 G 2.9498 9.6417 109.6209 43.9187 0.0000 170.2388 6 P 4.1481 0.0000 0.0000 61.9983 29.6374 175.2715 7 R 4.5769 7.5155 122.5295 55.1488 37.1437 175.2094 8 I 4.3811 7.2887 118.4825 59.4232 41.5919 173.1587 9 I 3.4457 8.2830 125.8846 60.1414 38.3476 172.6662 10 V 4.5746 8.0662 123.0171 59.9415 34.4916 175.4865 11 K 4.6903 8.3795 118.2825 56.1574 32.6082 175.7053 12 M 4.6990 7.5419 117.2156 54.3346 35.4386 176.7979 13 E 4.6261 8.6024 118.2259 56.4500 30.2060 175.0750 14 S 4.2685 8.2257 113.9297 58.5209 62.8971 171.9874 15 S 4.4901 7.8141 110.1798 58.2300 64.3302 175.8534 16 A 4.5380 8.2396 127.8317 49.4573 21.5660 175.5271 17 G 3.4729 8.4312 112.6759 46.6659 0.0000 174.3328 18 T 3.2351 8.5797 111.7552 62.1428 68.8290 172.4494 19 G 3.4052 6.9155 110.5137 43.3230 0.0000 173.5823 20 F 4.1944 5.4600 116.7157 58.0735 38.8749 174.5335 21 Y 5.3004 7.7465 117.3277 57.8925 41.7505 174.3101 22 Y 4.3469 8.9195 121.1505 58.4681 38.8140 177.7858 23 T 3.8068 8.2083 117.6507 63.2190 67.6353 172.1678 24 T 4.2989 8.5492 113.0067 61.6012 66.4194 171.2681 25 T 4.8211 7.4118 105.6328 59.3171 72.2793 173.0180 26 K 4.7207 7.8150 120.6362 56.7415 35.1155 173.0867 27 N 4.3443 7.5780 122.2855 52.1186 43.8125 174.6438 28 R 4.6088 6.3806 119.9929 55.4635 34.5411 175.2266 29 R 4.1465 8.4269 118.3855 57.3326 29.6259 177.6992 30 N 4.3727 8.1969 117.5913 56.7159 38.4959 176.0162 31 T 4.2019 7.5274 105.4593 60.5285 69.9147 173.6048 32 Q 3.9968 8.4316 120.1679 56.4935 29.1076 176.6661 33 A 4.5265 8.1786 122.2329 51.3452 20.5959 174.5877 34 K 3.9316 8.0605 117.9047 57.1620 30.8791 176.4986 35 L 4.0941 7.7273 123.4614 56.0331 43.3141 177.0415 36 E 4.9676 7.8879 117.8765 55.6083 30.9889 175.2596 37 L 4.3028 7.9521 121.6104 54.6085 43.3618 177.5286 38 K 4.4219 7.7819 121.6235 56.7938 35.6267 174.2041 39 K 4.2222 8.4488 125.6400 57.2617 36.0929 172.8233 40 Y 3.7802 8.9641 124.3535 56.0618 39.4043 168.4193 41 D 4.4589 8.2590 124.5020 54.2825 42.9352 174.5985 42 P 5.1613 0.0000 0.0000 62.7076 30.9839 176.4757 43 V 3.7498 8.7678 108.1630 62.6646 32.3977 175.4911 44 A 4.2914 7.4370 125.0752 50.4048 24.8544 179.3965 45 K 3.7575 9.7609 120.8965 59.3578 29.9982 174.8358 46 K 4.4422 8.2378 119.5979 57.4770 36.1777 176.0812 47 H 4.7513 8.0090 115.7884 55.2735 35.8561 175.2864 48 V 3.2432 7.7871 119.1228 60.1503 32.7363 172.5080 49 V 3.0154 8.5291 115.5283 64.6441 30.0224 173.4611 50 F 4.3984 9.0494 126.6577 57.1654 38.0286 175.3331 51 R 4.5797 8.4807 120.3935 55.1116 35.0480 173.2215 52 E 3.7598 8.1340 123.4961 55.8207 29.1645 172.4120 53 K 4.2501 7.5036 124.6362 55.5206 39.6609 174.9405 54 K 4.1739 7.9348 125.6610 56.4253 32.2001 176.2912 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 A 8.26 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 3.51 0.00 1.97 1.81 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.49 7.81 4 D 8.16 4.17 0.00 2.72 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 5 G 9.64 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 2.06 2.06 0.00 3.69 0.00 0.00 3.59 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 7 R 7.52 4.58 0.00 1.73 1.77 0.00 3.23 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 8 I 7.29 4.38 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 1.30 1.07 0.91 0.00 0.00 9 I 8.28 3.45 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 1.47 0.81 0.91 0.00 0.00 10 V 8.07 4.57 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 0.89 0.00 0.00 0.93 0.00 0.00 11 K 8.38 4.69 0.00 1.71 1.79 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.48 7.81 12 M 7.54 4.70 0.00 2.00 1.97 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 2.52 2.45 0.00 13 E 8.60 4.63 0.00 2.08 2.06 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 2.69 2.53 0.00 14 S 8.23 4.27 0.00 4.30 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.81 4.49 0.00 3.83 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 16 A 8.24 4.54 -0.17 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 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.43 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 3.24 4.16 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 0.00 0.00 1.17 0.00 0.00 19 G 6.92 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 0.00 0.00 0.00 20 F 5.46 4.19 0.00 3.02 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.75 5.30 0.00 2.97 2.98 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 0.00 0.00 0.00 22 Y 8.92 4.35 0.00 3.07 3.09 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 0.00 0.00 0.00 0.00 23 T 8.21 3.81 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 1.15 0.00 0.00 24 T 8.55 4.30 4.25 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 1.16 0.00 0.00 25 T 7.41 4.82 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 1.23 0.00 0.00 26 K 7.82 4.72 0.00 1.68 1.74 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.65 7.81 27 N 7.58 4.34 0.00 2.72 2.60 0.00 0.00 5.70 7.66 0.00 0.00 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 6.38 4.61 0.00 1.91 2.15 0.00 3.14 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 29 R 8.43 4.15 0.00 1.84 1.94 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 30 N 8.20 4.37 0.00 2.69 2.88 0.00 0.00 6.90 7.08 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 31 T 7.53 4.20 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 1.20 0.00 0.00 32 Q 8.43 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 33 A 8.18 4.53 1.23 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 0.00 0.00 34 K 8.06 3.93 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.47 7.81 35 L 7.73 4.09 0.00 1.60 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.89 4.97 0.00 1.90 1.79 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 2.07 2.14 0.00 37 L 7.95 4.30 0.00 1.66 1.60 0.93 0.91 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 38 K 7.78 4.42 0.00 1.74 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.74 7.81 39 K 8.45 4.22 0.00 1.79 1.28 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.30 7.81 40 Y 8.96 3.78 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.46 0.00 2.41 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 0.00 0.00 0.00 0.00 42 P 0.00 5.16 0.00 2.10 1.14 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 43 V 8.77 3.75 2.03 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 0.53 0.00 0.00 0.79 0.00 0.00 44 A 7.44 4.29 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 9.76 3.76 0.00 1.83 1.62 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.48 7.81 46 K 8.24 4.44 0.00 1.67 1.63 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.35 7.81 47 H 8.01 4.75 0.00 3.12 3.30 0.00 5.85 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 48 V 7.79 3.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.77 0.00 0.00 49 V 8.53 3.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.88 0.00 0.00 50 F 9.05 4.40 0.00 3.29 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 51 R 8.48 4.58 0.00 1.75 1.91 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 52 E 8.13 3.76 0.00 2.38 1.94 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 2.32 2.36 0.00 53 K 7.50 4.25 0.00 1.61 1.60 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.39 7.81 54 K 7.93 4.17 0.00 1.75 1.65 0.00 1.95 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81