NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4555 8.1633 118.1945 54.5554 32.9129 175.9142 2 K 3.6740 8.7468 120.1670 59.1099 31.9827 173.9719 3 V 3.5449 7.9580 118.0560 65.9653 31.8543 177.3081 4 K 4.0404 8.0290 118.6550 59.8126 32.0581 178.4713 5 Q 3.9865 8.1609 118.1211 59.0047 28.5458 178.9080 6 L 4.0182 8.3645 120.4208 57.7558 41.6673 179.2292 7 E 3.9557 8.6062 119.0129 59.6749 29.4071 179.2447 8 D 4.3713 8.4050 119.0403 57.1877 40.7632 178.9489 9 V 3.5676 7.8419 118.8458 65.8957 31.4678 178.1017 10 V 3.5432 7.9398 118.0499 66.1407 31.3535 177.6618 11 E 3.9414 8.2017 118.1101 59.6732 29.3171 179.1870 12 E 4.0083 8.3175 119.0496 59.0915 29.6813 178.7835 13 L 3.9672 8.2297 119.4827 57.3656 41.6371 179.1519 14 L 3.6406 8.0282 119.3172 57.8875 41.5383 179.7633 15 S 4.2101 7.8433 114.8496 61.5000 62.6822 176.7531 16 V 3.6297 7.8862 121.0008 66.3190 31.1534 177.8600 17 N 4.2600 8.0168 115.9526 56.4464 38.2998 177.0755 18 Y 4.5438 7.4701 118.1557 61.4444 37.9427 178.2378 19 H 4.2614 8.4187 117.1645 59.0041 28.8238 177.9577 20 L 4.0829 8.3603 121.0764 57.6509 41.3468 179.2956 21 E 4.0033 8.6141 119.1007 59.5254 29.4143 179.1366 22 N 4.3437 8.1295 116.4045 56.3659 38.5536 177.6598 23 V 3.6202 7.8505 119.6665 65.8691 31.5388 178.2845 24 V 3.5497 8.0406 117.8755 66.0384 31.4319 177.9631 25 A 3.9878 8.2264 120.6479 54.9558 18.1544 179.6349 26 R 3.8247 8.0849 117.3662 59.6733 30.2090 178.8507 27 L 4.0532 8.2019 118.9830 57.6502 41.5814 179.6669 28 K 4.0147 8.3489 118.8153 59.1290 31.9145 179.3320 29 K 3.9252 8.0589 120.0410 59.4562 31.9417 178.6084 30 L 4.0068 7.7946 119.4375 57.5139 42.0528 178.3526 31 V 4.2685 7.6340 109.3134 60.2142 32.0867 176.0094 32 G 3.7908 7.7399 106.3875 46.4241 0.0000 173.0155 33 E 4.5329 8.4589 120.3102 54.0749 31.0865 175.9609 34 R 4.1542 8.4968 123.5188 56.5760 30.2521 176.3001 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 8.16 4.46 0.00 2.26 2.26 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 2.55 2.63 0.00 2 K 8.75 3.67 0.00 1.89 1.94 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.55 7.81 3 V 7.96 3.54 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 1.07 0.00 0.00 0.93 0.00 0.00 4 K 8.03 4.04 0.00 1.83 1.79 0.00 1.79 0.00 0.00 2.00 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 5 Q 8.16 3.99 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 6 L 8.36 4.02 0.00 1.88 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.61 3.96 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 2.33 2.51 0.00 8 D 8.41 4.37 0.00 2.84 2.72 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 9 V 7.84 3.57 2.23 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 1.06 0.00 0.00 1.00 0.00 0.00 10 V 7.94 3.54 2.23 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 1.04 0.00 0.00 0.92 0.00 0.00 11 E 8.20 3.94 0.00 2.20 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 2.54 2.49 0.00 12 E 8.32 4.01 0.00 2.05 1.93 0.00 0.00 0.00 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 13 L 8.23 3.97 0.00 1.79 1.64 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.03 3.64 0.00 1.81 1.48 0.94 0.80 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 15 S 7.84 4.21 0.00 4.12 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 16 V 7.89 3.63 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 1.10 0.00 0.00 0.99 0.00 0.00 17 N 8.02 4.26 0.00 2.61 2.68 0.00 0.00 7.09 6.82 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 18 Y 7.47 4.54 0.00 3.11 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 19 H 8.42 4.26 0.00 3.39 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.36 4.08 0.00 1.68 1.72 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.61 4.00 0.00 2.27 2.06 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 2.37 2.53 0.00 22 N 8.13 4.34 0.00 2.98 2.90 0.00 0.00 6.67 7.70 0.00 0.00 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 V 7.85 3.62 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 1.08 0.00 0.00 0.98 0.00 0.00 24 V 8.04 3.55 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 1.04 0.00 0.00 0.96 0.00 0.00 25 A 8.23 3.99 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 26 R 8.08 3.82 0.00 2.01 2.12 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 27 L 8.20 4.05 0.00 1.86 1.70 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.35 4.01 0.00 1.96 2.07 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.61 7.81 29 K 8.06 3.93 0.00 1.95 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 30 L 7.79 4.01 0.00 1.86 1.89 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.63 4.27 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 0.86 0.00 0.00 0.99 0.00 0.00 32 G 7.74 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 4.53 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 34 R 8.50 4.15 0.00 1.84 1.82 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00