NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5559 8.3044 120.3277 55.4236 33.5846 175.2404 2 T 4.1314 9.4995 117.1788 60.5163 69.6259 174.2760 3 I 3.6557 9.0537 125.3131 64.8135 37.4317 177.6791 4 D 4.3698 8.1101 118.6867 57.6629 40.7303 178.7287 5 E 3.9681 8.0944 118.3394 59.3151 29.4398 179.3476 6 I 3.6998 8.1921 120.1537 64.5928 37.2737 178.4419 7 I 3.7157 8.0087 120.8026 64.4599 36.6651 178.4283 8 E 3.9475 8.2216 118.3297 59.4301 29.4916 178.9407 9 A 4.1421 8.1094 120.7565 55.1055 18.4969 179.8039 10 I 3.7194 7.9641 118.7060 64.3838 37.0759 178.0128 11 E 4.2553 8.0869 115.5088 57.7235 29.6883 177.9184 12 K 4.3210 7.4768 118.5374 55.9160 33.0814 176.7426 13 L 4.3331 7.0603 119.6608 54.5220 42.3102 177.6530 14 T 4.2917 8.5368 113.2134 60.9319 71.3354 176.0275 15 V 3.5573 8.1427 119.1654 66.1431 31.4656 177.6590 16 S 4.0895 7.9788 112.4007 61.4782 62.3516 175.8228 17 E 3.9633 8.1806 121.3344 59.3030 29.1584 179.1116 18 L 3.9526 8.1755 120.2713 58.0712 42.1683 178.9093 19 A 3.9862 8.1517 120.8246 55.0195 18.2221 179.2409 20 E 3.8720 8.2187 117.9784 59.1752 29.6724 178.7600 21 L 3.9033 7.9508 120.4202 58.1880 42.1541 179.1112 22 V 3.5909 7.9190 118.1512 66.0489 31.4876 178.1783 23 K 3.9860 8.1525 118.1799 59.3970 31.8423 179.6018 24 K 3.9750 8.2966 118.9935 59.3190 31.8775 179.4570 25 L 3.8043 8.1052 119.4861 57.5651 41.2845 179.0761 26 E 3.9328 8.0093 118.5175 59.5406 29.6596 178.4176 27 D 4.4547 7.8386 117.7231 57.0811 40.9282 178.5913 28 K 3.9156 7.8324 118.4792 57.3627 32.2279 177.1156 29 F 5.1427 7.2509 115.6648 55.6169 42.1427 175.5878 30 G 4.4269 8.8938 109.8550 46.3478 0.0000 173.2699 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 4.56 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 T 9.50 4.13 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 1.34 0.00 0.00 3 I 9.05 3.66 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 1.64 0.54 0.91 0.00 0.00 4 D 8.11 4.37 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.09 3.97 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 6 I 8.19 3.70 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.93 0.00 0.00 7 I 8.01 3.72 2.01 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 1.53 1.01 0.96 0.00 0.00 8 E 8.22 3.95 0.00 2.09 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 2.35 2.58 0.00 9 A 8.11 4.14 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 10 I 7.96 3.72 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.10 0.92 0.00 0.00 11 E 8.09 4.26 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.39 0.00 12 K 7.48 4.32 0.00 1.86 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.66 7.81 13 L 7.06 4.33 0.00 1.74 1.60 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.54 4.29 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 1.26 0.00 0.00 15 V 8.14 3.56 2.08 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 1.02 0.00 0.00 0.93 0.00 0.00 16 S 7.98 4.09 0.00 3.92 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 17 E 8.18 3.96 0.00 2.29 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 2.33 2.31 0.00 18 L 8.18 3.95 0.00 1.89 1.86 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.15 3.99 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.22 3.87 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 21 L 7.95 3.90 0.00 1.81 1.87 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.92 3.59 2.22 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 0.99 0.00 0.00 1.02 0.00 0.00 23 K 8.15 3.99 0.00 1.96 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.74 7.81 24 K 8.30 3.98 0.00 1.75 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.59 7.81 25 L 8.11 3.80 0.00 2.05 1.77 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.01 3.93 0.00 2.25 2.08 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 2.33 2.37 0.00 27 D 7.84 4.45 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 28 K 7.83 3.92 0.00 0.79 0.90 0.00 1.46 0.00 0.00 1.31 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.48 7.81 29 F 7.25 5.14 0.00 3.02 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.89 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 0.00 0.00 0.00 0.00