NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2736 8.1614 120.1341 56.2536 34.3340 175.9727 4 G 3.8718 8.0522 106.1253 46.2295 0.0000 171.7571 5 H 4.9069 8.1481 120.3311 55.1838 29.3741 175.5268 6 S 4.2844 7.8994 114.6504 60.3077 63.4945 174.5351 7 L 4.4496 7.6336 122.9865 56.7984 43.0229 177.5844 8 Q 3.8721 7.9194 118.8646 59.2981 28.9333 177.9470 9 D 4.4438 8.1480 119.6822 57.2019 40.9846 177.1940 10 P 4.3181 0.0000 0.0000 65.2975 31.4487 178.1656 11 Y 3.9778 8.0026 118.6378 60.8294 38.7202 178.0859 12 L 3.7976 8.1805 120.1758 57.7511 41.4784 179.3591 13 N 4.5703 8.4172 116.6767 56.5264 38.4603 177.6337 14 T 3.8435 8.0314 117.2645 66.6122 68.5312 176.7012 15 L 3.8729 7.5621 120.5449 57.5681 41.6871 179.5525 16 R 4.1961 8.1499 120.2259 59.0778 29.9331 178.7764 17 K 4.0256 8.2489 117.3669 59.1537 32.1909 178.3952 18 E 4.2811 8.1171 115.6558 55.3890 29.9020 176.3572 19 R 3.8119 7.6595 116.6576 56.9317 28.3480 176.5291 20 V 3.7783 7.5708 117.5794 62.1268 32.2644 174.0296 21 P 4.6310 0.0000 0.0000 63.0473 32.4705 175.7391 22 V 4.9833 9.0575 116.5925 59.8545 36.7689 174.3279 23 S 5.1929 8.9720 117.8540 56.8289 66.2374 173.3785 24 I 4.9162 8.5873 124.5970 59.8351 39.8772 174.0349 25 Y 4.9111 9.1663 125.7735 56.7568 39.8314 175.4562 26 L 5.0470 8.8847 124.0738 53.2358 43.8753 178.3528 27 V 3.9354 8.8793 114.0444 63.7144 31.5190 177.5603 28 N 4.4950 8.0818 115.1572 53.4022 37.6431 175.8038 29 G 4.1070 8.4674 108.0136 45.2198 0.0000 174.3296 30 I 3.7169 8.0953 121.4949 61.5115 37.6177 174.5007 31 K 4.5178 8.4501 125.5471 54.7147 33.5593 175.1396 32 L 4.7123 8.8983 127.8918 53.4685 44.0011 175.6886 33 Q 4.9061 9.1831 119.9315 52.5745 32.5470 176.6435 34 G 4.2561 7.7426 110.7895 46.1680 0.0000 172.6661 35 Q 4.8107 8.3038 121.5736 54.1323 32.5499 174.2314 36 I 4.0649 8.3142 122.0414 61.8733 37.5103 176.4958 37 E 4.1880 9.1671 128.5383 58.9974 30.2126 176.8070 38 S 4.8061 7.8059 111.6799 58.5498 66.1168 173.9066 39 F 5.1966 7.9493 113.4855 56.3547 40.0034 172.9279 40 D 4.5884 8.6782 119.8400 52.3238 41.5264 175.5208 41 Q 4.0152 8.8409 118.0973 58.8227 29.2288 177.9223 42 F 5.0095 8.0753 114.8677 57.0945 41.5353 174.9273 43 V 5.0162 8.6244 113.0793 59.4434 36.2867 174.5384 44 I 4.8398 8.6204 122.5750 59.5135 40.6884 174.5757 45 L 4.8521 9.0055 129.4307 53.8432 43.4031 174.7699 46 L 4.9675 8.8617 130.1768 53.2500 44.2910 174.8800 47 K 4.4790 8.8498 128.8051 57.3744 33.4420 174.1695 48 N 5.1107 9.3393 121.7776 54.3921 39.7210 175.7505 49 T 4.0527 9.1310 116.2601 64.3359 70.3956 175.2899 50 V 4.4745 7.3847 113.4462 59.3797 35.6841 173.7763 51 S 5.1962 8.5128 117.1068 57.6356 63.4695 174.1258 52 Q 4.6262 8.9646 123.9308 54.7624 31.2195 174.1604 53 M 4.7578 8.4842 121.1587 54.2283 33.6746 174.9271 54 V 4.4301 8.7296 126.6984 61.1930 34.3533 174.2923 55 Y 4.3784 8.6070 125.6202 57.2486 38.8082 176.8376 56 K 4.0718 9.2068 125.1729 59.4830 32.4365 179.3865 57 T 3.8816 8.2839 107.9149 64.0679 68.6589 174.4607 58 A 4.5316 8.2877 123.3646 51.8550 19.5262 175.9743 59 I 4.7144 7.5503 117.8402 60.2695 38.3586 175.6733 60 S 4.5289 9.0430 122.4020 60.6439 63.6523 173.8259 61 T 4.7177 7.7280 113.0466 60.5354 71.1006 171.6687 62 V 4.7920 8.4639 127.1703 61.1876 33.6667 174.8008 63 V 4.4514 9.0098 128.2686 60.3837 33.1478 173.0278 64 P 4.7897 0.0000 0.0000 62.5962 32.1334 177.6975 65 S 4.4109 8.9498 117.5786 60.0803 63.5402 174.0395 66 R 4.6778 7.4309 116.2415 53.7494 32.3521 172.9809 67 P 4.3386 0.0000 0.0000 63.1379 31.8047 176.4572 68 V 4.4949 7.9651 114.4814 59.4438 35.0661 176.8901 69 R 4.3642 8.1683 121.1077 55.6224 32.0094 176.8698 70 L 4.3796 8.2589 118.4965 55.8105 42.5046 176.3557 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 3 K 8.16 4.27 0.00 1.84 1.92 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 4 G 8.05 3.87 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 0.00 0.00 0.00 5 H 8.15 4.91 0.00 3.43 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.90 4.28 0.00 4.07 4.10 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 7 L 7.63 4.45 0.00 1.74 1.63 0.92 0.49 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 8 Q 7.92 3.87 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 9 D 8.15 4.44 0.00 3.05 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 10 P 0.00 4.32 0.00 2.21 2.14 0.00 3.78 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 2.31 2.18 0.00 11 Y 8.00 3.98 0.00 3.16 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 12 L 8.18 3.80 0.00 0.58 0.63 0.37 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.42 4.57 0.00 3.00 2.96 0.00 0.00 6.99 7.29 0.00 0.00 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 T 8.03 3.84 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 1.12 0.00 0.00 15 L 7.56 3.87 0.00 1.73 1.60 0.70 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.15 4.20 0.00 2.07 2.19 0.00 3.33 0.00 0.00 3.46 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 17 K 8.25 4.03 0.00 1.73 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.68 7.81 18 E 8.12 4.28 0.00 2.01 1.95 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 2.29 2.39 0.00 19 R 7.66 3.81 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 20 V 7.57 3.78 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.86 0.00 0.00 21 P 0.00 4.63 0.00 2.10 1.95 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.06 4.98 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 0.83 0.00 0.00 0.96 0.00 0.00 23 S 8.97 5.19 0.00 3.75 3.34 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 0.00 0.00 0.00 24 I 8.59 4.92 1.83 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 1.24 0.86 0.93 0.00 0.00 25 Y 9.17 4.91 0.00 2.94 2.88 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 26 L 8.88 5.05 0.00 1.78 1.70 0.95 0.77 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 27 V 8.88 3.94 2.10 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 0.75 0.00 0.00 0.96 0.00 0.00 28 N 8.08 4.50 0.00 2.85 2.95 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.47 4.11 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 0.00 0.00 0.00 30 I 8.10 3.72 2.06 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 1.20 0.92 0.90 0.00 0.00 31 K 8.45 4.52 0.00 1.51 1.54 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.97 0.33 7.81 32 L 8.90 4.71 0.00 1.52 1.50 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.18 4.91 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.14 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 34 G 7.74 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.30 4.81 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 36 I 8.31 4.06 1.87 0.00 0.00 0.83 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 0.87 0.97 0.00 0.00 37 E 9.17 4.19 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 38 S 7.81 4.81 0.00 3.76 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 39 F 7.95 5.20 0.00 3.26 2.99 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 40 D 8.68 4.59 0.00 2.83 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 41 Q 8.84 4.02 0.00 1.81 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 42 F 8.08 5.01 0.00 3.24 3.12 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 43 V 8.62 5.02 1.93 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 0.27 0.00 0.00 0.96 0.00 0.00 44 I 8.62 4.84 1.88 0.00 0.00 0.83 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 0.70 0.93 0.00 0.00 45 L 9.01 4.85 0.00 1.75 1.57 0.95 0.42 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 46 L 8.86 4.97 0.00 1.76 1.50 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.85 4.48 0.00 2.02 1.65 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 48 N 9.34 5.11 0.00 2.66 2.47 0.00 0.00 7.08 7.16 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 49 T 9.13 4.05 4.24 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 1.21 0.00 0.00 50 V 7.38 4.47 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 0.81 0.00 0.00 0.93 0.00 0.00 51 S 8.51 5.20 0.00 3.74 3.81 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 52 Q 8.96 4.63 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 53 M 8.48 4.76 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 54 V 8.73 4.43 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 1.04 0.00 0.00 0.96 0.00 0.00 55 Y 8.61 4.38 0.00 3.14 2.96 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 0.00 0.00 0.00 0.00 56 K 9.21 4.07 0.00 1.93 1.92 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.55 7.81 57 T 8.28 3.88 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 58 A 8.29 4.53 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.55 4.71 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.98 0.00 0.00 60 S 9.04 4.53 0.00 3.93 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 61 T 7.73 4.72 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 1.22 0.00 0.00 62 V 8.46 4.79 2.19 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 0.94 0.00 0.00 0.96 0.00 0.00 63 V 9.01 4.45 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.09 0.00 0.00 64 P 0.00 4.79 0.00 2.32 1.89 0.00 3.74 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 65 S 8.95 4.41 0.00 3.87 4.03 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 66 R 7.43 4.68 0.00 2.08 1.88 0.00 3.07 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 67 P 0.00 4.34 0.00 2.06 2.05 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 68 V 7.97 4.49 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 0.71 0.00 0.00 0.76 0.00 0.00 69 R 8.17 4.36 0.00 1.79 1.91 0.00 3.13 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 70 L 8.26 4.38 0.00 1.59 1.52 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00