NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4321 8.3049 120.3487 55.3861 33.3896 174.4812 2 K 4.4009 8.1071 123.8325 54.7950 36.0093 175.3220 3 S 4.4185 8.6274 115.1399 58.9569 61.6819 172.9628 4 T 4.6270 7.7016 116.7216 61.0762 70.6196 173.4596 5 G 3.8784 8.0348 115.1654 44.8575 0.0000 171.7564 6 I 3.9634 8.2994 123.1314 60.6528 37.8908 175.8720 7 V 3.8264 8.3520 119.3565 60.9185 31.4734 175.3561 8 R 4.5082 8.4364 125.3358 54.0658 31.9066 174.7238 9 K 4.4871 8.5643 125.8900 54.8995 33.6967 175.3078 10 V 4.6538 7.9291 122.3428 60.0896 34.1218 174.3351 11 D 4.5647 7.8574 119.9664 54.6726 41.6271 177.9798 12 E 4.2236 8.7304 122.5927 57.4795 29.8630 176.7125 13 L 4.6852 8.9993 120.2372 54.5297 43.7868 174.5746 14 G 3.9412 8.5725 107.9571 43.0142 0.0000 175.8612 15 R 3.7124 8.3701 114.9996 57.2073 26.5249 175.1412 16 V 3.7895 7.5712 118.9815 61.8620 30.0846 174.2484 17 V 3.9601 7.7473 116.0909 59.2438 31.0845 176.4063 18 I 3.8268 8.0799 118.5251 59.7071 38.2276 174.7535 19 P 4.1470 0.0000 0.0000 63.5836 32.1564 177.6016 20 I 3.7752 8.4955 123.8794 64.0275 37.0432 178.1585 21 E 3.9074 8.1202 118.2139 59.6558 29.3541 179.0411 22 L 3.9438 7.8565 121.4319 57.2316 42.1375 178.7319 23 R 3.9033 8.0313 118.2321 59.5031 29.0358 179.0690 24 R 4.0657 7.9978 117.2405 58.7827 30.0182 179.2452 25 T 3.8798 7.9044 115.2207 66.5624 68.6003 176.0418 26 L 4.2009 8.2525 120.9425 55.0217 43.4608 175.9213 27 G 3.4724 7.4398 102.2372 45.7041 0.0000 174.7725 28 I 4.0260 7.8922 118.0568 59.5332 37.3508 176.6323 29 A 4.0616 8.5030 129.8961 52.1964 18.8834 177.8539 30 E 4.5141 8.5672 126.0092 55.7924 29.2528 176.6520 31 K 4.6488 7.7488 112.4537 56.9561 34.7045 175.6525 32 D 5.0587 7.8971 118.7930 52.0957 41.9675 173.7762 33 A 4.7228 8.6283 120.8942 50.9328 20.8676 176.1885 34 L 4.6315 8.0396 121.6339 52.5467 44.6891 176.2652 35 E 4.0840 9.0041 123.1601 56.4750 30.7104 176.0929 36 I 4.9012 8.3573 124.3032 59.8750 40.1012 173.6910 37 Y 4.5558 8.7498 129.2993 55.7198 40.7779 174.4418 38 V 4.2754 7.5888 126.7788 61.9578 32.7929 175.1460 39 D 4.5731 9.3109 128.1355 52.6036 41.1235 173.7160 40 D 4.6454 8.2492 123.8255 53.5783 40.9746 173.2299 41 E 4.7039 8.3274 115.3777 55.2241 31.6485 175.9265 42 K 4.7153 8.3304 119.2292 54.9836 35.3687 174.7061 43 I 4.9405 8.1205 113.3527 59.2983 40.2343 174.7412 44 I 4.2226 9.0878 128.2033 60.3384 38.1616 174.6352 45 L 5.2625 8.3629 128.1648 53.0706 43.1985 176.1429 46 K 4.4575 8.7500 122.1813 56.3564 36.6691 174.6111 47 K 4.3408 8.1793 120.0970 54.7711 33.9595 176.6493 48 Y 4.3786 8.0093 118.0380 61.4124 37.6905 177.8301 49 K 4.5937 7.5811 119.6841 55.4463 33.2943 173.3752 50 P 4.9639 0.0000 0.0000 62.8405 32.1488 177.1243 51 N 4.8426 7.9635 116.7857 53.6507 38.7799 174.7120 52 M 4.7909 7.6300 114.6560 55.2623 32.9437 175.4643 53 T 4.4087 8.5876 112.7532 64.8658 70.3422 176.4904 54 C 4.5116 7.7867 115.7224 60.1472 29.2091 173.9783 55 Q 4.1659 7.9272 123.3182 56.1288 28.3057 175.8355 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 1.97 2.04 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 2.48 2.63 0.00 2 K 8.11 4.40 0.00 1.79 1.68 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.47 7.81 3 S 8.63 4.42 0.00 3.86 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 4 T 7.70 4.63 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 1.27 0.00 0.00 5 G 8.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.30 3.96 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 1.41 0.58 0.91 0.00 0.00 7 V 8.35 3.83 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 0.62 0.00 0.00 0.93 0.00 0.00 8 R 8.44 4.51 0.00 1.72 1.78 0.00 3.29 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 9 K 8.56 4.49 0.00 1.73 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 10 V 7.93 4.65 2.35 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 0.90 0.00 0.00 0.93 0.00 0.00 11 D 7.86 4.56 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 4.22 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 13 L 9.00 4.69 0.00 1.50 1.81 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.57 3.94 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 0.00 0.00 0.00 15 R 8.37 3.71 0.00 1.88 1.92 0.00 3.25 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 16 V 7.57 3.79 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 0.74 0.00 0.00 0.92 0.00 0.00 17 V 7.75 3.96 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 0.78 0.00 0.00 0.98 0.00 0.00 18 I 8.08 3.83 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.90 0.00 0.00 19 P 0.00 4.15 0.00 2.17 2.07 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 20 I 8.50 3.78 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 1.69 0.55 0.91 0.00 0.00 21 E 8.12 3.91 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 22 L 7.86 3.94 0.00 1.77 1.82 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.03 3.90 0.00 2.03 1.97 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 24 R 8.00 4.07 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 25 T 7.90 3.88 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 1.21 0.00 0.00 26 L 8.25 4.20 0.00 1.65 1.74 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.44 3.47 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 0.00 0.00 0.00 28 I 7.89 4.03 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 1.23 0.62 0.91 0.00 0.00 29 A 8.50 4.06 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.57 4.51 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 31 K 7.75 4.65 0.00 1.83 1.87 0.00 1.52 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.41 7.81 32 D 7.90 5.06 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 4.72 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.04 4.63 0.00 1.43 1.49 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.00 4.08 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 2.18 1.97 0.00 36 I 8.36 4.90 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.90 0.00 0.00 37 Y 8.75 4.56 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 4.28 1.83 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 0.71 0.00 0.00 0.81 0.00 0.00 39 D 9.31 4.57 0.00 2.94 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.25 4.65 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.33 4.70 0.00 2.03 1.95 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 2.15 2.31 0.00 42 K 8.33 4.72 0.00 1.91 1.92 0.00 1.34 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.37 7.81 43 I 8.12 4.94 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.88 0.00 0.00 44 I 9.09 4.22 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.99 0.91 0.00 0.00 45 L 8.36 5.26 0.00 1.49 1.58 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.75 4.46 0.00 1.76 1.86 0.00 1.26 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.35 7.81 47 K 8.18 4.34 0.00 1.62 1.77 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.70 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.38 7.81 48 Y 8.01 4.38 0.00 2.98 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.59 0.00 1.85 1.69 0.00 1.62 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 50 P 0.00 4.96 0.00 2.20 2.15 0.00 3.15 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 51 N 7.96 4.84 0.00 2.68 2.83 0.00 0.00 6.74 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 52 M 7.63 4.79 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 53 T 8.59 4.41 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 54 C 7.79 4.51 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.93 4.17 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00