NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3218 8.3049 120.3415 54.4911 34.2128 175.2902 2 E 4.4412 7.8664 117.9762 52.8615 31.3496 173.3617 3 P 4.2781 0.0000 0.0000 62.8172 32.9272 175.4804 4 V 4.2659 7.8905 121.1264 60.4666 34.0506 174.5361 5 D 4.3594 8.4266 125.8460 53.6822 41.2598 174.9560 6 P 4.2691 0.0000 0.0000 65.7159 31.4873 178.2197 7 R 4.0132 8.0183 115.4175 58.1540 30.1972 177.0453 8 L 4.0137 7.2629 118.7881 54.1952 42.2618 177.0006 9 E 3.7192 8.1534 122.1919 55.3268 30.3507 176.0401 10 P 3.8823 0.0000 0.0000 65.5173 31.4570 178.7005 11 W 4.3377 7.6800 112.6745 58.6140 28.2785 176.7646 12 K 4.2631 7.3719 117.5122 56.9006 31.8448 176.6919 13 H 4.3956 7.8060 117.6303 54.4845 29.2239 173.7642 14 P 4.4403 0.0000 0.0000 62.2937 31.8928 176.4073 15 G 3.8319 8.3460 108.6811 45.6771 0.0000 173.8616 16 S 4.4275 8.3329 113.4677 58.3701 63.9704 174.5682 17 Q 3.9874 8.0165 123.1020 55.5398 28.8502 174.1818 18 P 4.3991 0.0000 0.0000 62.4363 31.9829 177.4746 19 K 3.6676 8.7504 120.7703 58.9710 32.2203 176.8629 20 T 4.6887 7.2063 106.3108 58.9421 71.6955 173.4317 21 A 4.1032 8.4311 124.9656 52.6381 18.9427 177.0722 22 C 4.3290 8.3175 117.7403 58.2963 28.4182 174.4896 23 T 4.1717 8.1291 115.5979 61.5623 69.4136 173.6016 24 N 4.8219 8.3923 117.1664 53.3498 39.2467 174.0412 25 C 4.4323 7.8467 117.0616 59.8992 32.1139 172.8649 26 Y 4.4990 8.4615 122.5657 56.6284 38.8655 174.6769 27 C 4.8125 8.4544 118.0465 56.6892 32.4479 175.6658 28 K 4.3574 8.5161 122.9761 59.6105 32.8118 177.5749 29 K 4.2379 8.1982 117.8772 59.2420 32.4654 178.7795 30 C 4.3438 8.0006 114.1187 62.3070 28.4536 174.4273 31 C 4.3126 8.8491 117.1177 61.1097 27.9892 174.5350 32 F 5.0515 8.0241 117.9163 57.3145 39.6577 175.8472 33 H 4.3414 8.7049 123.0801 59.2553 29.8418 174.8487 34 C 4.6097 7.6378 112.0827 56.1334 33.1832 174.0022 35 Q 3.9664 8.6392 120.6448 59.4960 28.3059 178.5719 36 V 3.5932 7.7146 118.4970 66.3032 31.6991 177.6662 37 C 4.0681 8.0523 116.0150 62.5951 27.9308 175.7791 38 F 4.5761 8.3538 123.8155 60.9555 39.0414 177.3293 39 I 3.4479 8.0286 119.8799 64.0930 36.9397 178.4324 40 T 4.6579 7.8062 111.7217 64.1076 68.8053 176.8733 41 K 3.9022 8.2018 122.1733 58.5365 31.9142 179.2637 42 A 3.8349 7.4802 122.4055 54.4510 18.6347 178.1376 43 L 4.2211 7.1727 113.0450 53.7308 42.7192 177.0641 44 G 4.2738 7.2774 106.0303 47.2044 0.0000 173.5291 45 I 4.2594 7.5012 120.4684 59.9455 38.2956 175.4099 46 S 4.6932 8.0429 117.4318 57.2274 65.4407 174.0229 47 Y 4.2712 7.9100 120.9773 58.9960 38.4407 175.8961 48 G 3.8882 7.2969 108.9139 44.6932 0.0000 173.4165 49 R 4.1430 8.3119 118.2457 56.3184 30.1288 175.7780 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 4.32 0.00 1.96 2.11 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 2.36 2.53 0.00 2 E 7.87 4.44 0.00 2.02 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 2.19 2.37 0.00 3 P 0.00 4.28 0.00 2.01 1.97 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 4 V 7.89 4.27 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 0.55 0.00 0.00 0.91 0.00 0.00 5 D 8.43 4.36 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.05 2.08 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 7 R 8.02 4.01 0.00 1.75 1.96 0.00 3.19 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 8 L 7.26 4.01 0.00 1.58 1.50 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.15 3.72 0.00 1.16 1.12 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 2.04 1.89 0.00 10 P 0.00 3.88 0.00 2.24 2.08 0.00 3.19 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 11 W 7.68 4.34 0.00 3.39 3.35 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 12 K 7.37 4.26 0.00 1.63 1.77 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.02 1.29 7.81 13 H 7.81 4.40 0.00 3.27 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.44 0.00 2.16 2.03 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 15 G 8.35 3.83 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 0.00 0.00 0.00 16 S 8.33 4.43 0.00 3.99 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 Q 8.02 3.99 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 18 P 0.00 4.40 0.00 2.38 2.10 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 19 K 8.75 3.67 0.00 1.77 1.94 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.39 7.81 20 T 7.21 4.69 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 1.25 0.00 0.00 21 A 8.43 4.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.32 4.33 0.00 2.98 2.90 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 0.00 0.00 0.00 23 T 8.13 4.17 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 1.16 0.00 0.00 24 N 8.39 4.82 0.00 2.72 2.88 0.00 0.00 6.86 7.65 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 25 C 7.85 4.43 0.00 3.05 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 26 Y 8.46 4.50 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.45 4.81 0.00 3.10 3.04 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 28 K 8.52 4.36 0.00 1.75 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.61 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.16 1.38 7.81 29 K 8.20 4.24 0.00 1.88 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.43 7.81 30 C 8.00 4.34 0.00 3.01 3.04 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 31 C 8.85 4.31 0.00 3.35 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.02 5.05 0.00 2.92 3.04 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 33 H 8.70 4.34 0.00 3.12 3.36 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.64 4.61 0.00 3.12 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 35 Q 8.64 3.97 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 36 V 7.71 3.59 2.11 0.00 0.00 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 0.97 0.00 0.00 37 C 8.05 4.07 0.00 3.24 3.08 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 0.00 0.00 0.00 38 F 8.35 4.58 0.00 2.81 3.08 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 0.00 0.00 0.00 39 I 8.03 3.45 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.10 0.89 0.00 0.00 40 T 7.81 4.66 4.16 0.00 0.00 0.00 0.00 0.00 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 41 K 8.20 3.90 0.00 1.65 1.24 0.00 1.48 0.00 0.00 1.18 0.00 0.00 2.63 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.34 1.10 7.81 42 A 7.48 3.83 0.96 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 0.00 0.00 43 L 7.17 4.22 0.00 1.58 1.52 0.80 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.28 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.50 4.26 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.91 0.00 0.00 46 S 8.04 4.69 0.00 3.66 3.65 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 47 Y 7.91 4.27 0.00 3.04 3.13 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 0.00 0.00 0.00 48 G 7.30 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 49 R 8.31 4.14 0.00 1.79 1.81 0.00 3.28 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00