NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9225 8.1976 109.7439 45.6483 0.0000 174.0949 2 S 3.6256 8.5157 119.4934 61.3455 63.6260 175.6812 3 T 3.8473 8.3441 117.0697 63.8153 69.1929 176.6927 4 L 4.1820 7.9900 120.6538 56.8384 41.9009 178.5447 5 Y 4.0768 9.2409 120.6902 60.8211 38.7823 178.0039 6 T 3.1043 9.7229 116.6850 66.3448 68.6655 176.4402 7 E 3.9138 7.6794 120.0115 59.6343 29.4442 179.4651 8 S 4.1327 8.0686 112.9996 61.2670 62.2983 176.0990 9 R 3.6338 7.6599 121.5569 59.2242 29.5051 178.7022 10 K 3.9182 7.5856 117.2825 59.3263 32.3573 179.1333 11 L 4.1573 7.8450 118.9113 57.6795 41.6283 179.1588 12 L 4.2727 8.8502 121.3187 58.6167 42.4824 179.3098 13 R 3.9259 8.8686 118.4810 58.7796 29.6349 179.0635 14 S 4.0966 7.8817 112.8827 60.9496 62.4887 175.8765 15 W 4.2127 8.3896 121.6234 60.2734 28.7494 178.3991 16 H 3.7715 8.2208 113.2865 59.4235 28.5191 179.0532 17 L 3.7169 8.7328 120.2902 55.2994 41.7384 175.1416 18 P 4.4455 0.0000 0.0000 62.6414 30.6489 176.9547 19 S 4.1597 8.5138 119.6190 59.1234 63.3771 174.9660 20 V 3.7575 7.0848 125.3177 63.4169 31.1237 175.3637 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 G 8.20 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 2 S 8.52 3.63 0.00 3.95 3.82 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 0.00 0.00 0.00 3 T 8.34 3.85 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 1.28 0.00 0.00 4 L 7.99 4.18 0.00 1.85 1.73 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 9.24 4.08 0.00 3.04 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 6 T 9.72 3.10 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 1.20 0.00 0.00 7 E 7.68 3.91 0.00 2.14 2.01 0.00 0.00 0.00 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 2.45 0.00 8 S 8.07 4.13 0.00 4.02 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 9 R 7.66 3.63 0.00 1.79 1.71 0.00 2.97 0.00 0.00 2.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 10 K 7.59 3.92 0.00 1.89 1.84 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.60 7.81 11 L 7.84 4.16 0.00 1.97 1.84 0.99 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.85 4.27 0.00 2.01 1.79 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.87 3.93 0.00 1.94 1.95 0.00 3.13 0.00 0.00 3.03 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.72 0.00 14 S 7.88 4.10 0.00 4.01 3.53 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 15 W 8.39 4.21 0.00 3.41 3.23 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 16 H 8.22 3.77 0.00 3.30 3.47 0.00 5.87 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.73 3.72 0.00 1.79 1.73 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.45 0.00 2.24 2.25 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 19 S 8.51 4.16 0.00 3.90 3.96 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 0.00 0.00 0.00 20 V 7.08 3.76 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 0.67 0.00 0.00 0.94 0.00 0.00