NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4109 8.2893 120.3245 55.0947 33.5407 176.0205 3 T 3.9520 7.5648 110.5188 60.6499 69.4005 174.9755 4 E 3.5279 7.8584 119.4656 57.3561 32.4980 180.1083 5 E 3.6952 7.9703 120.0802 59.4244 29.8556 179.1546 6 M 4.3287 7.9234 115.9147 58.2052 31.5253 177.7923 7 L 4.0501 8.1113 121.7245 58.4113 42.1993 178.5005 8 Y 4.1393 8.1181 116.3307 59.3870 38.2512 177.4434 9 A 3.7859 9.0635 122.5115 53.2010 18.4359 179.0412 10 A 4.0898 8.1406 120.1403 53.0151 17.9893 178.7990 11 L 3.9894 8.9921 126.1212 58.4076 40.7543 177.8820 12 L 3.6767 7.7903 118.9050 58.4424 41.8467 178.5469 13 S 4.1554 8.0713 112.6464 62.0954 62.8075 176.7375 14 F 4.0078 8.1030 124.8885 60.5265 39.0443 177.8568 15 G 3.0337 7.9027 105.1185 47.6303 0.0000 175.6794 16 L 4.2065 7.7361 121.9166 57.1433 41.3907 179.7532 17 I 3.7358 6.9015 118.8823 63.9538 36.9173 178.2388 18 F 4.9144 8.5159 118.9447 61.0237 38.8760 178.6310 19 V 3.5576 7.4723 116.2773 65.6915 32.0698 177.6937 20 G 3.7654 8.2740 105.3351 47.4479 0.0000 175.3705 21 W 4.7654 7.8094 130.2911 61.1036 30.8793 177.3373 22 G 3.2929 8.9807 105.2671 46.9266 0.0000 175.3623 23 L 4.1756 7.7889 119.4737 57.1759 41.9519 179.8974 24 G 3.9793 8.0996 104.4972 48.1123 0.0000 175.4827 25 V 3.7143 8.5807 121.7094 65.5258 31.3066 177.6198 26 L 3.7081 7.8266 119.5808 58.3975 41.8025 178.5313 27 L 4.2087 8.7718 118.3396 56.5792 41.2180 179.1226 28 L 4.1133 8.7928 121.0377 56.9698 41.5377 179.3028 29 K 4.2796 7.3724 114.1401 56.8969 31.4497 177.1262 30 I 4.4657 8.8782 120.2506 61.2161 39.4664 176.3806 31 Q 4.4663 7.7415 113.3173 55.6878 29.4413 176.1131 32 G 3.8871 8.5631 104.3636 46.8516 0.0000 172.8204 33 A 4.8555 7.1026 122.8568 51.6594 21.4671 175.7581 34 E 4.8023 8.2505 113.0857 55.9616 33.6956 174.3339 35 K 4.7099 8.0875 117.3067 56.6207 33.0210 176.2232 36 E 4.1441 8.3624 123.6131 57.8989 29.4618 177.1062 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 M 8.29 4.41 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 3 T 7.56 3.95 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 4 E 7.86 3.53 0.00 2.13 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 0.00 2.32 2.34 0.00 5 E 7.97 3.70 0.00 1.89 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 0.00 2.26 2.37 0.00 6 M 7.92 4.33 0.00 2.32 2.36 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 2.84 2.67 0.00 7 L 8.11 4.05 0.00 1.88 1.96 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.12 4.14 0.00 3.25 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 9 A 9.06 3.79 1.50 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 0.00 0.00 10 A 8.14 4.09 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 11 L 8.99 3.99 0.00 1.97 2.03 0.95 0.14 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 12 L 7.79 3.68 0.00 1.79 1.62 0.40 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.07 4.16 0.00 4.05 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 14 F 8.10 4.01 0.00 3.03 3.22 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 15 G 7.90 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 0.00 0.00 0.00 16 L 7.74 4.21 0.00 1.76 1.71 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 I 6.90 3.74 1.59 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 1.36 0.74 0.90 0.00 0.00 18 F 8.52 4.91 0.00 3.04 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 V 7.47 3.56 2.21 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 0.84 0.00 0.00 0.90 0.00 0.00 20 G 8.27 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 21 W 7.81 4.77 0.00 3.39 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 22 G 8.98 3.29 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 0.00 23 L 7.79 4.18 0.00 1.79 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.10 3.98 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 0.00 25 V 8.58 3.71 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 0.89 0.00 0.00 0.74 0.00 0.00 26 L 7.83 3.71 0.00 1.67 1.77 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.77 4.21 0.00 1.76 1.69 1.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.79 4.11 0.00 1.70 1.69 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.37 4.28 0.00 1.72 1.77 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.39 7.81 30 I 8.88 4.47 2.04 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 1.34 0.90 0.90 0.00 0.00 31 Q 7.74 4.47 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 32 G 8.56 3.89 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 33 A 7.10 4.86 1.23 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 0.00 0.00 0.00 34 E 8.25 4.80 0.00 1.92 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 2.22 2.29 0.00 35 K 8.09 4.71 0.00 1.79 1.80 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.42 7.81 36 E 8.36 4.14 0.00 1.97 1.90 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 2.31 2.36 0.00