NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4300 8.0333 117.3831 63.0395 69.8614 174.4943 2 V 3.5849 7.7313 117.3143 63.8637 31.9336 177.4018 3 F 3.8898 8.8233 122.1677 61.1934 39.5988 176.5400 4 A 4.0753 8.6001 120.9618 55.1730 18.0764 179.1022 5 F 3.8072 8.2937 118.5277 61.2764 39.5609 176.6754 6 A 3.8197 9.0375 120.8234 55.6909 18.0828 179.7179 7 S 3.8881 8.3524 113.5374 61.8599 62.9552 176.4547 8 M 3.8805 8.6304 121.5270 58.7533 31.6601 178.8274 9 L 3.7993 8.4172 119.5639 57.9957 41.3683 179.0726 10 C 3.8896 8.5511 116.7820 63.3866 28.1373 175.0117 11 L 4.3143 8.6670 120.5406 55.7947 40.8961 178.3404 12 L 4.0659 7.8091 125.5093 58.4139 42.2562 178.8509 13 N 4.8227 8.2157 118.4630 55.8172 38.8683 176.9598 14 S 4.0503 7.5181 113.9870 61.3192 62.6037 175.5637 15 T 4.4940 8.1653 114.4243 62.6287 67.7429 175.0406 16 V 4.2613 6.9113 110.3721 61.7670 34.3144 170.6627 17 N 4.5658 8.1903 127.1067 53.7990 44.4146 176.4853 18 P 4.5190 0.0000 0.0000 63.1172 30.3421 176.2441 19 I 4.2801 7.9627 116.9444 62.1725 39.3101 175.7866 20 I 4.2601 6.6045 118.0063 62.7312 39.7918 176.5020 21 Y 4.2277 6.7099 117.9995 59.4841 37.5713 176.4484 22 A 4.0299 7.5633 121.8061 50.8402 17.6206 177.2341 23 L 4.9377 7.2101 122.9291 55.3932 44.0526 175.3394 24 R 4.0694 7.3619 118.4109 56.7828 30.8743 177.8607 25 S 3.7998 8.8030 114.6700 59.9178 63.9601 174.3135 26 K 3.7432 9.2440 121.3363 59.8088 31.8967 178.0037 27 D 4.4312 8.1798 117.4555 57.6826 40.8944 178.7181 28 L 4.0393 7.7380 118.4493 57.7888 41.6913 178.4279 29 R 3.9572 8.2293 117.2245 60.4877 30.1099 177.6725 30 H 4.2652 8.2592 113.6851 58.6107 28.8536 177.0920 31 A 3.9869 6.7813 123.1601 54.8445 17.6165 178.9801 32 F 4.2334 9.0212 119.9798 61.8330 39.0836 177.4373 33 R 5.0956 7.8263 114.3076 56.2021 30.2180 177.4669 34 S 4.6748 8.6463 111.5489 59.7465 67.1690 174.8899 35 M 4.7637 8.3440 120.9242 56.4242 40.4314 174.8106 36 F 3.7918 7.5643 120.2537 58.2416 39.3897 173.3640 37 P 4.2075 0.0000 0.0000 63.3588 31.7837 177.1739 38 S 3.5543 6.3468 112.0678 59.1957 60.3106 172.8594 39 A 4.0479 7.2268 124.9665 54.7592 18.2806 178.6080 40 E 4.2639 7.7486 117.9868 56.5674 30.2750 175.8801 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 T 8.03 4.43 4.34 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 1.29 0.00 0.00 2 V 7.73 3.58 2.15 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 0.71 0.00 0.00 1.02 0.00 0.00 3 F 8.82 3.89 0.00 3.14 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 4 A 8.60 4.08 1.48 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 0.00 0.00 0.00 5 F 8.29 3.81 0.00 3.16 3.13 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 6 A 9.04 3.82 1.17 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 7 S 8.35 3.89 0.00 3.89 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 8 M 8.63 3.88 0.00 1.76 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 9 L 8.42 3.80 0.00 1.79 1.63 0.88 -0.39 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 10 C 8.55 3.89 0.00 3.05 2.94 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 11 L 8.67 4.31 0.00 1.79 1.46 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.81 4.07 0.00 1.62 1.65 0.69 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.22 4.82 0.00 2.67 2.79 0.00 0.00 6.96 9.24 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 14 S 7.52 4.05 0.00 3.74 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 15 T 8.17 4.49 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 1.20 0.00 0.00 16 V 6.91 4.26 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 0.82 0.00 0.00 1.05 0.00 0.00 17 N 8.19 4.57 0.00 2.86 2.86 0.00 0.00 7.21 8.16 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 18 P 0.00 4.52 0.00 2.02 2.05 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 19 I 7.96 4.28 1.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.80 0.00 0.00 20 I 6.60 4.26 1.04 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.26 0.77 0.00 0.00 21 Y 6.71 4.23 0.00 3.04 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 A 7.56 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.21 4.94 0.00 1.68 1.74 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.36 4.07 0.00 1.84 1.83 0.00 3.52 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 25 S 8.80 3.80 0.00 4.24 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 0.00 26 K 9.24 3.74 0.00 2.00 1.97 0.00 1.71 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.60 1.88 7.81 27 D 8.18 4.43 0.00 2.81 2.71 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 0.00 0.00 0.00 0.00 28 L 7.74 4.04 0.00 1.85 1.68 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.23 3.96 0.00 1.61 1.71 0.00 2.55 0.00 0.00 2.83 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 30 H 8.26 4.27 0.00 3.45 3.46 0.00 5.54 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 6.78 3.99 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 32 F 9.02 4.23 0.00 3.13 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 33 R 7.83 5.10 0.00 1.93 1.93 0.00 3.31 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 34 S 8.65 4.67 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.34 4.76 0.00 1.97 2.13 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 2.52 2.47 0.00 36 F 7.56 3.79 0.00 2.12 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 37 P 0.00 4.21 0.00 2.03 2.09 0.00 2.66 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 38 S 6.35 3.55 0.00 4.10 4.05 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 0.00 0.00 0.00 39 A 7.23 4.05 1.19 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 0.00 0.00 0.00 40 E 7.75 4.26 0.00 1.89 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 2.13 2.18 0.00