NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4344 8.3044 120.3290 55.2047 34.1588 175.7420 2 L 4.0701 7.5321 117.3451 52.3706 44.7996 173.4064 3 S 4.3370 8.7750 122.3983 58.5756 65.5425 174.3242 4 D 4.3411 8.5538 122.7589 57.7841 40.7480 178.2850 5 E 4.1343 8.1065 118.6278 59.2984 29.6082 178.5457 6 D 4.4273 8.0492 117.4993 56.7101 41.2492 177.6980 7 F 3.8695 7.8656 121.7582 61.3381 39.2809 177.0310 8 K 4.1121 8.0267 117.4580 58.9148 31.7006 178.7446 9 A 3.9940 7.7411 120.4139 55.0971 18.5241 179.1927 10 V 3.7254 7.6313 115.6759 65.8539 31.7150 177.8878 11 F 4.1526 8.0176 117.0344 59.1939 38.8144 175.7030 12 G 4.0401 8.2859 105.1927 44.8562 0.0000 172.6984 13 M 4.5053 7.0753 116.2329 52.7482 35.2548 174.7468 14 T 3.8975 8.3286 118.5771 63.8641 69.1986 174.8940 15 R 4.1959 8.7894 124.5289 59.4858 28.9608 178.9104 16 S 4.1030 8.0243 114.5102 61.5636 63.0532 175.9344 17 A 4.7383 7.9572 124.3144 54.6256 18.1709 179.5459 18 F 4.3791 8.8902 116.4237 60.5350 38.9065 177.7687 19 A 4.1452 8.4983 119.8830 54.8455 18.3937 178.9855 20 N 4.4406 8.0444 113.6107 54.6398 38.4496 174.9547 21 L 4.8227 7.1442 120.0572 52.0782 43.6688 174.5078 22 P 4.6278 0.0000 0.0000 62.4452 32.1965 177.5389 23 L 4.1543 8.5161 118.7742 57.1461 40.9202 179.5525 24 W 4.0968 8.3865 119.2367 59.8209 28.8918 178.0012 25 K 4.1164 8.1420 119.1604 59.0349 31.6317 178.5921 26 Q 4.0713 8.1613 119.9282 58.8559 28.6694 177.8532 27 Q 4.0237 7.8371 118.7995 58.6915 28.5832 178.2308 28 N 4.3515 7.9512 118.2523 56.2481 39.0061 176.5811 29 L 3.8456 7.8873 121.3009 58.2616 41.6640 178.7445 30 K 3.8971 8.0806 119.3320 59.3527 31.8569 178.5129 31 K 4.0521 7.2896 118.9615 58.8123 32.1765 178.1215 32 E 4.0837 8.1022 119.3952 58.7479 29.5537 176.0529 33 K 4.3526 7.6115 114.5207 57.4546 34.9995 177.5416 34 L 4.1802 7.6072 117.7059 55.2436 42.4494 176.4663 35 L 4.4746 8.5187 118.3289 56.2834 43.6084 175.7153 36 F 4.1986 7.9805 123.0257 58.2132 39.6848 174.0143 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 4.43 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 L 7.53 4.07 0.00 1.64 1.56 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.77 4.34 0.00 3.92 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 4 D 8.55 4.34 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.13 0.00 2.03 1.99 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 2.40 2.31 0.00 6 D 8.05 4.43 0.00 2.80 2.84 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 7 F 7.87 3.87 0.00 2.99 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 8 K 8.03 4.11 0.00 1.98 1.96 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.67 7.81 9 A 7.74 3.99 1.32 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 0.00 0.00 0.00 10 V 7.63 3.73 1.99 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 0.93 0.00 0.00 0.94 0.00 0.00 11 F 8.02 4.15 0.00 2.97 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 12 G 8.29 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.08 4.51 0.00 0.86 1.46 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 2.34 2.29 0.00 14 T 8.33 3.90 4.30 0.00 0.00 0.00 0.00 0.00 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 15 R 8.79 4.20 0.00 2.08 2.37 0.00 2.87 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 16 S 8.02 4.10 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.74 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.38 0.00 3.51 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 19 A 8.50 4.15 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.04 4.44 0.00 3.05 2.92 0.00 0.00 6.78 6.65 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 21 L 7.14 4.82 0.00 1.73 1.57 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.63 0.00 2.50 2.31 0.00 3.73 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 2.18 2.04 0.00 23 L 8.52 4.15 0.00 1.70 1.69 0.93 0.91 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 24 W 8.39 4.10 0.00 3.38 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 25 K 8.14 4.12 0.00 1.77 1.80 0.00 1.43 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.53 7.81 26 Q 8.16 4.07 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.79 0.00 0.00 0.00 0.00 0.00 2.71 2.74 0.00 27 Q 7.84 4.02 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.21 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 28 N 7.95 4.35 0.00 2.80 2.94 0.00 0.00 6.72 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.89 3.85 0.00 1.67 1.53 0.33 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.08 3.90 0.00 1.91 1.78 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.47 7.81 31 K 7.29 4.05 0.00 1.68 1.92 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.36 7.81 32 E 8.10 4.08 0.00 2.06 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 0.00 2.29 2.32 0.00 33 K 7.61 4.35 0.00 1.65 1.68 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.33 7.81 34 L 7.61 4.18 0.00 1.78 1.67 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.52 4.47 0.00 1.62 1.73 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.98 4.20 0.00 3.03 2.77 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