NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1349 8.0093 120.7867 61.0173 39.1774 174.5054 2 T 4.4855 8.2463 115.7025 59.3823 71.2335 171.4945 3 A 4.7028 7.9272 125.0653 50.3583 23.3847 177.0499 4 K 4.3740 8.2611 118.6118 55.0898 34.0031 175.2473 5 P 4.3192 0.0000 0.0000 62.0448 31.8340 176.4078 6 A 4.0159 8.5156 123.1021 53.0499 18.5534 178.4136 7 K 4.2318 8.6524 121.8804 58.8243 32.6882 177.7948 8 T 4.6032 7.3459 107.5553 58.2720 68.5292 170.9290 9 P 4.1619 0.0000 0.0000 64.1594 32.1919 176.4715 10 T 4.8552 8.3924 118.3797 60.9015 68.8015 175.1843 11 S 4.3651 8.2343 122.0270 57.3896 65.1193 172.9674 12 P 4.1867 0.0000 0.0000 65.6802 31.0350 178.8648 13 K 3.8946 7.9512 117.8100 59.6684 32.1472 178.6194 14 E 4.0004 7.9454 118.3551 59.4589 29.2980 179.4201 15 Q 3.9796 8.4903 118.3461 58.8052 28.7315 178.5242 16 A 3.9745 8.2216 122.0230 55.0860 18.3114 179.8417 17 I 3.7335 7.7775 118.3452 64.4745 37.1647 178.9194 18 G 3.5845 8.2297 106.7139 47.6158 0.0000 175.5122 19 L 3.8690 8.2765 123.2471 57.9000 42.0319 179.2167 20 S 4.0003 8.0318 115.0893 61.6351 62.8204 176.8872 21 V 3.6255 7.9795 120.9443 66.2165 31.3988 178.1450 22 T 4.0467 8.2349 115.5376 66.9174 68.3460 176.5977 23 F 4.2972 8.9223 120.0168 60.7513 38.8547 177.8293 24 L 4.1364 8.5463 119.0578 57.7055 41.1660 179.6741 25 S 4.1459 8.2576 113.5710 60.9781 62.3844 176.1671 26 F 4.3329 8.0643 120.1129 60.0495 39.0969 178.0461 27 L 4.2733 8.3473 118.7294 57.4278 41.3608 179.5364 28 L 4.0487 8.3163 119.2866 57.3631 41.6651 177.6490 29 P 4.2836 0.0000 0.0000 65.5988 31.2942 178.4884 30 A 4.2073 7.6119 116.3601 55.2398 18.2625 179.8230 31 G 3.6876 8.3855 104.2694 47.6493 0.0000 175.6019 32 W 4.1852 8.6858 131.0573 60.2910 30.5750 178.1461 33 V 3.8376 8.0343 116.6418 66.3219 31.1291 177.6955 34 L 4.1668 8.3996 118.9361 57.8699 41.1680 178.9640 35 Y 3.9314 8.0936 119.0682 60.5467 39.1215 176.5794 36 H 4.1842 7.6927 115.4334 55.5409 28.7324 176.8983 37 L 3.8578 7.0319 124.3499 58.1992 41.2362 179.1020 38 D 4.2395 7.6864 117.0831 57.2056 40.9828 177.7821 39 N 4.3858 7.3768 115.7837 55.5934 38.4349 176.5710 40 Y 4.6040 7.2056 117.0851 60.5503 38.6381 177.1241 41 K 4.2900 7.7132 118.0431 58.2097 33.0916 177.5921 42 K 4.4669 7.1239 121.3091 54.0121 32.2325 175.9627 43 S 4.2599 8.1632 119.0499 58.7582 63.7061 175.3103 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 I 8.01 4.13 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 1.35 nan 0.00 0.00 2 T 8.25 4.49 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 3 A 7.93 4.70 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.37 0.00 1.88 1.82 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.45 7.81 5 P 0.00 4.32 0.00 2.06 2.03 0.00 3.70 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 2.08 0.00 6 A 8.52 4.02 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 7 K 8.65 4.23 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.35 4.60 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 9 P 0.00 4.16 0.00 2.06 2.04 0.00 3.64 0.00 0.00 3.65 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 10 T 8.39 4.86 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 11 S 8.23 4.37 0.00 4.04 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 12 P 0.00 4.19 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 13 K 7.95 3.89 0.00 1.77 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.47 7.81 14 E 7.95 4.00 0.00 2.20 1.98 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 2.32 2.34 0.00 15 Q 8.49 3.98 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 16 A 8.22 3.97 1.34 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 0.00 0.00 17 I 7.78 3.73 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.91 0.00 0.00 18 G 8.23 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 3.87 0.00 1.72 1.69 0.51 0.68 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 20 S 8.03 4.00 0.00 4.04 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 21 V 7.98 3.63 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 1.07 0.00 0.00 1.03 0.00 0.00 22 T 8.23 4.05 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 23 F 8.92 4.30 0.00 2.96 3.15 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 24 L 8.55 4.14 0.00 1.95 1.78 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.26 4.15 0.00 4.02 4.06 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 26 F 8.06 4.33 0.00 3.27 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 27 L 8.35 4.27 0.00 1.78 1.79 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.32 4.05 0.00 1.77 1.75 0.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.28 0.00 2.18 2.09 0.00 3.81 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 2.20 2.13 0.00 30 A 7.61 4.21 1.41 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 31 G 8.39 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.69 4.19 0.00 3.53 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.84 2.40 0.00 0.00 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 1.33 0.00 0.00 34 L 8.40 4.17 0.00 2.05 1.76 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.09 3.93 0.00 2.99 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 36 H 7.69 4.18 0.00 2.35 2.26 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.03 3.86 0.00 1.72 1.66 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.69 4.24 0.00 2.59 2.49 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 0.00 0.00 0.00 0.00 39 N 7.38 4.39 0.00 2.42 2.75 0.00 0.00 7.02 6.77 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 40 Y 7.21 4.60 0.00 3.06 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 41 K 7.71 4.29 0.00 1.71 1.92 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.74 7.81 42 K 7.12 4.47 0.00 1.68 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.41 7.81 43 S 8.16 4.26 0.00 4.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00