NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3709 8.3231 115.2853 58.4967 63.7039 172.5850 3 G 3.8665 8.3240 107.6022 44.9902 0.0000 172.2329 4 K 4.5201 7.8494 118.0497 54.7103 35.1429 175.5803 5 M 4.3434 8.3049 124.9270 54.5592 34.3209 174.7002 6 T 5.0014 7.6692 112.2802 60.4381 72.7916 173.2526 7 G 4.6753 8.3935 107.5811 46.4095 0.0000 171.9013 8 I 5.1948 8.0159 119.5483 59.1139 41.2330 175.6693 9 V 3.8511 8.5358 126.4162 63.1330 31.8311 176.4730 10 K 4.1847 9.0909 130.9354 58.8107 32.6144 176.5640 11 W 5.2408 7.5967 114.5973 55.8201 31.5584 172.7511 12 F 4.7262 8.8936 122.7586 57.1686 41.8896 173.4617 13 N 4.5578 8.8277 126.2845 51.7406 37.7556 175.1110 14 A 4.1719 8.3833 128.9925 54.5963 18.8378 178.3898 15 D 4.4457 7.9438 115.0323 56.2732 41.1035 177.5614 16 K 4.1867 7.8437 116.4293 55.5605 33.4746 176.1572 17 G 3.7785 8.8989 107.3056 45.6464 0.0000 172.5146 18 F 4.6902 5.9920 111.9854 55.7108 41.8060 173.3145 19 G 2.8926 7.2005 103.1426 46.0413 0.0000 172.2886 20 F 4.9236 7.0416 117.1850 55.5281 43.7990 174.1392 21 I 4.7425 8.5015 121.4853 59.8688 40.5544 174.9005 22 T 5.0263 8.6333 123.8085 61.1933 69.3989 172.5644 23 P 5.1265 0.0000 0.0000 62.8204 32.3417 177.3975 24 D 4.5239 9.1106 122.0209 56.4719 40.8930 176.8681 25 D 4.5823 8.1438 117.7578 52.8986 39.6720 177.2970 26 G 3.9157 7.9132 107.1671 45.9405 0.0000 174.2551 27 S 4.4424 7.8888 113.7908 56.6649 64.0368 173.7292 28 K 3.8357 8.5405 121.3697 56.7955 32.2137 175.7975 29 D 4.7537 8.6400 124.3799 54.9838 41.7389 175.7391 30 V 4.6198 8.9992 122.5069 60.8219 33.9955 174.7498 31 F 3.5450 8.7408 130.7782 57.9715 40.6221 174.0239 32 V 4.4275 7.4744 125.2091 59.9473 34.3269 173.8773 33 H 4.9155 8.3319 123.7387 54.0509 31.8361 175.3800 34 F 4.3045 8.9798 120.4286 60.0094 37.7042 177.6244 35 S 3.8631 6.8612 113.7348 59.9327 63.0009 174.6185 36 A 4.2119 7.9954 123.7484 53.1389 18.8499 177.0225 37 I 4.4213 7.3020 117.3944 60.3169 37.8821 176.7669 38 Q 4.1554 8.5857 124.3162 55.2657 26.5808 175.7853 39 N 3.5905 8.3832 117.3302 53.8328 39.5122 174.0274 40 D 4.1221 9.2940 117.1672 54.1413 39.8017 174.1661 41 G 3.8759 8.3951 102.3901 47.3852 0.0000 172.5284 42 Y 4.9125 7.9506 118.1549 54.6389 43.4763 174.4214 43 K 4.0310 8.5949 116.5505 57.0849 30.7370 174.5885 44 S 4.2147 5.8100 110.0935 56.6350 65.7777 172.5075 45 L 4.6348 7.0578 120.1045 53.6818 45.4527 174.9438 46 D 5.0243 9.5167 121.6980 51.9446 43.1804 175.8603 47 E 4.3097 8.7114 123.4607 58.1065 29.8780 177.2544 48 G 4.0502 9.1945 115.4986 44.9720 0.0000 173.5632 49 Q 4.1968 7.9724 119.9679 55.7008 30.1757 175.5054 50 K 4.6990 8.6478 124.8208 56.4035 33.8461 175.8847 51 V 5.2510 8.9708 119.3519 59.8490 36.8799 174.2101 52 S 5.3877 9.0714 116.0590 57.0665 66.4486 172.9726 53 F 5.3801 8.4883 116.0917 56.7753 41.6089 172.4742 54 T 4.8208 9.1829 109.4946 60.0179 71.6677 173.2052 55 I 4.9154 8.2127 123.5704 60.4527 38.4335 174.8345 56 E 4.8277 9.5483 125.5101 53.9880 34.3506 175.1207 57 S 4.2889 8.8355 116.7061 59.1855 61.6093 174.4282 58 G 4.5277 8.7802 112.9254 42.2260 0.0000 173.1465 59 A 4.2307 8.5121 123.7326 54.4468 18.4204 178.6983 60 K 4.4898 7.3687 110.2328 55.0901 34.9260 176.2141 61 G 3.9522 7.1890 105.5823 44.7820 0.0000 169.8592 62 P 4.7548 0.0000 0.0000 62.9483 32.3967 175.3635 63 A 5.2798 8.8016 123.8611 50.0607 22.6047 174.6048 64 A 5.0027 8.5729 122.3597 51.0205 20.2059 177.2104 65 G 4.1382 9.0154 108.3203 42.8515 0.0000 171.9833 66 N 4.2535 8.5589 115.4929 54.0158 36.3549 175.5486 67 V 4.2015 7.8429 118.2356 63.3007 33.0455 175.6912 68 T 5.0242 9.3913 124.6095 61.8311 72.0021 173.7124 69 S 4.7845 8.6680 120.1372 58.0130 64.4424 174.2904 70 L 4.4260 8.1830 121.3858 54.9598 41.5567 176.4840 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 S 8.32 4.37 0.00 3.83 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 3 G 8.32 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 4 K 7.85 4.52 0.00 1.56 1.61 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.36 7.81 5 M 8.30 4.34 0.00 1.18 1.58 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 2.21 2.39 0.00 6 T 7.67 5.00 4.27 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 1.18 0.00 0.00 7 G 8.39 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.02 5.19 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.95 0.00 0.00 9 V 8.54 3.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 10 K 9.09 4.18 0.00 1.87 1.93 0.00 2.11 0.00 0.00 1.98 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.74 1.51 7.81 11 W 7.60 5.24 0.00 3.48 3.16 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 0.00 12 F 8.89 4.73 0.00 2.93 3.08 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 13 N 8.83 4.56 0.00 2.72 2.36 0.00 0.00 6.64 7.74 0.00 0.00 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 A 8.38 4.17 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 15 D 7.94 4.45 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.19 0.00 0.96 1.49 0.00 1.98 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.15 7.81 17 G 8.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 5.99 4.69 0.00 2.38 2.89 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 0.00 0.00 0.00 19 G 7.20 2.89 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 0.00 0.00 0.00 0.00 0.00 0.00 20 F 7.04 4.92 0.00 2.63 2.80 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 21 I 8.50 4.74 1.38 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.43 0.65 0.00 0.00 22 T 8.63 5.03 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 1.26 0.00 0.00 23 P 0.00 5.13 0.00 2.49 2.48 0.00 3.87 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 24 D 9.11 4.52 0.00 2.80 2.79 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 25 D 8.14 4.58 0.00 2.79 2.77 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 26 G 7.91 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 0.00 0.00 0.00 27 S 7.89 4.44 0.00 4.07 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 28 K 8.54 3.84 0.00 1.76 1.84 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.54 7.81 29 D 8.64 4.75 0.00 2.52 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.00 4.62 1.91 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 0.84 0.00 0.00 1.09 0.00 0.00 31 F 8.74 3.54 0.00 2.85 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 32 V 7.47 4.43 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.77 0.00 0.00 33 H 8.33 4.92 0.00 3.27 3.08 0.00 5.69 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.98 4.30 0.00 3.51 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.86 3.86 0.00 3.77 3.38 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 36 A 8.00 4.21 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 37 I 7.30 4.42 1.89 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.49 0.81 0.00 0.00 38 Q 8.59 4.16 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 39 N 8.38 3.59 0.00 2.76 2.71 0.00 0.00 7.09 8.49 0.00 0.00 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 9.29 4.12 0.00 2.89 2.79 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 41 G 8.40 3.88 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 0.00 0.00 0.00 42 Y 7.95 4.91 0.00 2.89 2.80 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 43 K 8.59 4.03 0.00 1.85 1.94 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.52 7.81 44 S 5.81 4.21 0.00 3.37 3.27 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 45 L 7.06 4.63 0.00 0.89 1.23 0.57 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.52 5.02 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.71 4.31 0.00 2.06 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 0.00 2.37 2.57 0.00 48 G 9.19 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 0.00 0.00 0.00 49 Q 7.97 4.20 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 50 K 8.65 4.70 0.00 1.87 1.69 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.51 7.81 51 V 8.97 5.25 2.12 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 0.73 0.00 0.00 0.95 0.00 0.00 52 S 9.07 5.39 0.00 3.91 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 53 F 8.49 5.38 0.00 3.19 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 54 T 9.18 4.82 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 1.19 0.00 0.00 55 I 8.21 4.92 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.98 0.00 0.00 56 E 9.55 4.83 0.00 1.82 1.82 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 2.42 2.43 0.00 57 S 8.84 4.29 0.00 3.75 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 58 G 8.78 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.23 1.16 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 0.00 0.00 0.00 60 K 7.37 4.49 0.00 1.54 1.68 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.17 7.81 61 G 7.19 3.95 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 62 P 0.00 4.75 0.00 2.22 2.26 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 63 A 8.80 5.28 1.30 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 0.00 0.00 0.00 0.00 0.00 64 A 8.57 5.00 0.98 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 0.00 0.00 65 G 9.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.25 0.00 2.85 2.98 0.00 0.00 6.90 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.84 4.20 2.05 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 0.89 0.00 0.00 0.89 0.00 0.00 68 T 9.39 5.02 4.43 0.00 0.00 0.00 0.00 0.00 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 69 S 8.67 4.78 0.00 3.76 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 70 L 8.18 4.43 0.00 1.66 1.53 1.00 0.72 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