NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2813 8.3044 120.3496 54.4574 33.3753 173.9376 2 K 3.5577 8.6084 121.6989 56.4226 31.6681 174.7642 3 R 4.3448 8.2631 126.0866 55.6135 31.8501 177.3679 4 T 3.9476 8.4942 109.7180 63.2485 68.7952 173.9595 5 F 4.9294 7.8022 124.2169 56.7442 39.5700 174.4156 6 Q 4.2913 8.3914 127.5583 52.8647 29.7350 174.0961 7 P 4.3251 0.0000 0.0000 62.8159 32.3206 177.3479 8 S 4.7015 8.3395 110.6198 55.8875 64.2202 175.6278 9 V 3.5593 7.9979 129.5217 66.0056 30.8540 177.8314 10 L 3.9020 7.9528 119.1904 57.6578 41.9824 178.2525 11 K 4.1875 8.2916 118.9415 58.9799 32.4143 178.3521 12 R 3.8834 8.0719 117.0184 59.2253 29.9957 176.5731 13 N 4.7007 8.1041 115.6195 55.0918 39.4693 176.5326 14 R 4.1231 8.2197 119.4099 57.9944 30.1530 176.9377 15 S 4.7742 7.4835 112.7549 58.2457 63.6011 174.0134 16 H 4.5613 7.9206 114.2840 56.2292 33.3735 174.2465 17 G 3.9054 8.1140 110.1339 44.8901 0.0000 174.7741 18 F 4.0626 8.9364 120.5600 61.3204 38.9885 177.0209 19 R 3.6151 8.2159 117.0365 59.5766 30.0003 178.6279 20 A 4.1086 7.5283 119.3827 54.5832 17.8125 179.6287 21 R 3.9488 8.3017 118.1141 59.1197 29.9736 177.2074 22 M 4.2536 6.6961 115.1904 55.2122 32.7867 176.4548 23 A 4.7653 6.7690 118.3843 50.5088 19.3049 178.1960 24 T 3.9248 6.7969 112.8220 62.2125 69.9218 172.7359 25 K 4.3382 8.9645 128.2728 57.2711 32.0280 176.2513 26 N 4.8017 8.0499 116.2008 54.5020 41.2878 176.1483 27 G 3.7735 7.8157 104.2335 46.9725 0.0000 175.5325 28 R 3.9631 8.4024 123.7368 58.5680 29.8296 177.9020 29 Q 3.9809 8.0458 115.8020 58.1307 29.5911 177.5963 30 V 4.0358 8.1735 118.5706 65.6048 32.2538 177.1600 31 L 4.2256 8.2231 117.6820 56.4408 41.3793 178.9743 32 A 4.1004 7.7913 122.4759 54.8449 18.7943 179.4590 33 R 4.3037 7.8356 113.0349 57.9083 30.5094 178.9820 34 R 4.1350 8.0419 117.7367 58.8349 29.9873 178.0340 35 R 4.3824 7.8806 114.1114 56.5313 30.5192 177.3737 36 A 4.4749 7.5277 118.9111 52.3619 19.7629 178.0606 37 K 4.3398 7.3042 116.6594 54.5181 32.9800 177.3856 38 G 3.5924 8.3973 107.8137 44.2875 0.0000 170.9888 39 R 3.9084 8.9550 123.2383 55.0090 31.5216 174.4133 40 A 3.8614 7.9656 129.2116 54.4616 18.9181 177.4572 41 R 4.1714 7.7540 122.4221 54.4152 29.8333 177.4255 42 L 4.0339 8.3619 125.0051 56.7677 42.3800 176.8035 43 T 4.1233 7.8825 110.1274 63.4177 70.2498 173.9938 44 V 3.2585 7.7157 111.6734 62.2988 28.5843 174.6022 45 S 4.6193 7.9100 114.2389 58.3169 63.6013 174.5422 46 K 4.1837 7.8436 125.8544 56.9450 32.1143 176.0299 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 M 8.30 4.28 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 K 8.61 3.56 0.00 1.83 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.69 7.81 3 R 8.26 4.34 0.00 1.91 1.88 0.00 3.37 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.58 0.00 4 T 8.49 3.95 4.28 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 1.24 0.00 0.00 5 F 7.80 4.93 0.00 2.85 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 6 Q 8.39 4.29 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 7 P 0.00 4.33 0.00 2.01 1.53 0.00 3.57 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 8 S 8.34 4.70 0.00 3.97 3.97 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 0.00 0.00 0.00 0.00 9 V 8.00 3.56 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 0.78 0.00 0.00 0.96 0.00 0.00 10 L 7.95 3.90 0.00 1.66 1.77 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.29 4.19 0.00 1.87 1.90 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 12 R 8.07 3.88 0.00 1.92 2.04 0.00 3.38 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 13 N 8.10 4.70 0.00 2.93 2.85 0.00 0.00 6.67 7.65 0.00 0.00 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 R 8.22 4.12 0.00 2.09 1.96 0.00 3.26 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 15 S 7.48 4.77 0.00 3.92 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 16 H 7.92 4.56 0.00 3.28 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.11 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.94 4.06 0.00 3.06 3.10 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 19 R 8.22 3.62 0.00 1.87 1.96 0.00 3.22 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 20 A 7.53 4.11 1.25 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 0.00 0.00 0.00 21 R 8.30 3.95 0.00 1.95 2.01 0.00 3.17 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 22 M 6.70 4.25 0.00 1.27 1.58 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 23 A 6.77 4.77 1.29 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 0.00 0.00 0.00 24 T 6.80 3.92 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 1.27 0.00 0.00 25 K 8.96 4.34 0.00 1.74 1.78 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 26 N 8.05 4.80 0.00 2.67 2.76 0.00 0.00 7.03 7.98 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 27 G 7.82 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 0.00 0.00 0.00 28 R 8.40 3.96 0.00 1.78 2.13 0.00 3.17 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 29 Q 8.05 3.98 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 30 V 8.17 4.04 2.26 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 1.01 0.00 0.00 0.97 0.00 0.00 31 L 8.22 4.23 0.00 1.90 1.78 1.19 1.21 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 32 A 7.79 4.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.30 0.00 1.90 1.98 0.00 3.13 0.00 0.00 3.50 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 34 R 8.04 4.13 0.00 1.97 1.98 0.00 3.53 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 35 R 7.88 4.38 0.00 1.91 1.97 0.00 3.16 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 36 A 7.53 4.47 1.38 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 0.00 0.00 37 K 7.30 4.34 0.00 2.11 1.81 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.42 7.81 38 G 8.40 3.59 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 0.00 0.00 0.00 39 R 8.96 3.91 0.00 1.94 1.98 0.00 3.29 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 1.49 1.67 0.00 40 A 7.97 3.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 4.17 0.00 1.88 1.90 0.00 3.13 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 42 L 8.36 4.03 0.00 1.55 1.65 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.88 4.12 4.32 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 1.28 0.00 0.00 44 V 7.72 3.26 2.09 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 0.76 0.00 0.00 0.94 0.00 0.00 45 S 7.91 4.62 0.00 4.04 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 46 K 7.84 4.18 0.00 1.72 1.73 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.45 7.81