NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7449 8.0033 119.0423 56.9224 39.9958 173.6691 3 F 4.8152 8.9046 118.9357 55.8160 41.0345 172.0454 4 E 4.8450 9.9664 122.7420 54.9126 33.2248 173.6573 5 I 5.3789 8.7848 128.0821 60.0461 39.1605 174.4562 6 Y 5.0787 8.8588 124.1329 55.7871 42.3839 173.2070 7 K 4.8412 8.8515 120.6116 54.7292 33.8826 175.9697 8 D 4.8210 8.1458 127.4242 52.4976 41.4277 175.6214 9 A 4.1238 8.5577 120.8671 55.6466 18.3820 179.2518 10 K 4.0425 7.9794 112.9314 57.7848 32.2515 177.4129 11 G 3.9203 7.8028 106.8824 45.1306 0.0000 173.9927 12 E 4.1003 7.7512 118.1529 56.5504 31.0054 175.6354 13 Y 5.2001 8.2943 118.5949 57.4148 40.5472 175.0286 14 R 5.1521 8.5786 117.8182 55.3934 33.6149 172.9852 15 W 6.3000 8.2665 115.3257 54.0363 32.4279 174.2024 16 R 4.9712 8.8710 114.6429 55.1699 32.3747 173.7741 17 L 4.2463 9.2987 125.7918 54.0814 42.9486 175.1225 18 K 4.5198 7.9287 126.6802 54.6238 33.2650 177.2570 19 A 4.1602 8.4542 127.9202 51.3477 19.3034 178.1203 20 A 4.1154 8.5394 122.0692 55.1924 18.3954 178.0192 21 N 4.6796 8.0118 111.4032 53.3091 38.1237 174.4332 22 H 4.1315 7.9351 112.3447 58.3728 26.8896 175.4601 23 E 4.5727 7.7671 117.7511 54.1052 32.0502 176.1152 24 I 4.1452 8.4577 125.3588 62.0599 37.5494 175.7925 25 I 4.3300 8.4517 126.1033 62.8218 38.6501 176.1521 26 A 4.6853 7.7436 120.8988 50.9782 22.3317 175.5168 27 Q 4.5061 8.7168 119.4143 54.3549 31.8840 175.5744 28 G 3.2219 6.8789 108.3659 44.2885 0.0000 172.0778 29 E 4.7063 8.3702 119.8569 53.5960 33.0733 177.1407 30 G 3.7343 8.4596 110.8000 46.6459 0.0000 172.4912 31 Y 4.7855 8.9469 121.8079 56.1985 41.4744 176.5068 32 T 3.8397 9.1435 116.4987 64.4850 68.0452 174.1739 33 S 5.0602 7.8328 115.1499 55.7921 65.9862 174.9281 34 K 3.6320 8.6797 121.8651 59.4605 31.7205 178.8857 35 Q 3.8588 7.9390 119.5141 59.3227 29.0412 177.8172 36 N 4.3334 8.0120 116.9718 56.2791 38.5647 177.0613 37 C 3.1453 7.7189 119.9330 62.1711 31.7268 175.4417 38 Q 3.8220 7.8133 120.8956 59.1430 28.6078 177.6268 39 H 4.0793 7.9707 118.8990 58.9059 29.8862 177.1004 40 A 3.8242 7.4532 122.3878 55.1040 18.2243 179.7596 41 V 2.6317 7.1014 116.1602 65.9162 31.2108 178.0072 42 D 4.1461 7.4019 117.4533 57.1720 40.7376 178.4699 43 L 4.0252 7.5812 119.4832 57.4932 41.5576 179.4845 44 L 3.9301 7.6608 119.2175 57.6018 41.4187 179.5351 45 K 4.2414 7.6327 116.6045 58.7617 32.7421 177.6911 46 S 4.4057 7.3129 113.6634 59.0054 63.5761 174.6133 47 T 4.1027 7.4771 118.6257 63.7423 69.1398 173.6395 48 T 4.5412 8.0169 117.8130 59.7906 70.0233 174.8612 49 A 4.0895 8.4136 125.8046 54.3994 18.4849 178.6797 50 A 4.1399 7.8627 117.4025 54.0986 18.9473 177.7206 51 T 3.8512 7.5218 113.0099 63.0335 68.6021 172.5856 52 P 4.4285 0.0000 0.0000 62.7749 31.9246 175.8978 53 V 4.3416 8.0433 117.8056 61.1909 33.8682 174.6300 54 K 4.7377 8.6441 126.4328 54.5153 34.5202 175.3515 55 E 4.7483 8.4045 118.5753 54.5713 32.6613 175.0076 56 V 4.3458 8.3086 113.5174 59.6027 33.8177 175.1036 57 L 4.5467 8.3013 124.9577 52.7652 43.0671 176.2145 58 E 4.0978 8.7702 122.9643 56.5536 29.5271 176.2559 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 2 Y 8.00 4.74 0.00 3.12 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 3 F 8.90 4.82 0.00 3.05 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 4 E 9.97 4.84 0.00 2.15 1.94 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 2.40 2.50 0.00 5 I 8.78 5.38 1.94 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 1.54 0.87 0.89 0.00 0.00 6 Y 8.86 5.08 0.00 3.11 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 7 K 8.85 4.84 0.00 1.71 1.80 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.25 7.81 8 D 8.15 4.82 0.00 2.91 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 9 A 8.56 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.04 0.00 1.84 1.84 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.41 7.81 11 G 7.80 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.10 0.00 1.86 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 2.35 2.28 0.00 13 Y 8.29 5.20 0.00 3.00 2.79 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 14 R 8.58 5.15 0.00 1.60 2.05 0.00 2.53 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.52 0.00 15 W 8.27 6.30 0.00 3.63 3.27 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 16 R 8.87 4.97 0.00 1.94 2.17 0.00 3.05 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 17 L 9.30 4.25 0.00 1.91 1.65 0.74 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.93 4.52 0.00 0.79 1.16 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.21 7.81 19 A 8.45 4.16 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 20 A 8.54 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.01 4.68 0.00 2.80 2.88 0.00 0.00 6.04 7.90 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 22 H 7.94 4.13 0.00 3.27 3.43 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.77 4.57 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 24 I 8.46 4.15 1.85 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 1.38 0.43 0.92 0.00 0.00 25 I 8.45 4.33 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.69 0.91 0.00 0.00 26 A 7.74 4.69 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 27 Q 8.72 4.51 0.00 1.80 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 28 G 6.88 3.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.37 4.71 0.00 1.77 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 2.03 2.18 0.00 30 G 8.46 3.73 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 0.00 0.00 0.00 31 Y 8.95 4.79 0.00 3.13 2.88 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 32 T 9.14 3.84 4.29 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 1.31 0.00 0.00 33 S 7.83 5.06 0.00 4.06 3.99 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 0.00 0.00 0.00 34 K 8.68 3.63 0.00 0.99 1.61 0.00 1.45 0.00 0.00 1.28 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 0.92 7.81 35 Q 7.94 3.86 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 36 N 8.01 4.33 0.00 3.01 2.96 0.00 0.00 6.73 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.72 3.15 0.00 2.94 2.96 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 38 Q 7.81 3.82 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 39 H 7.97 4.08 0.00 3.22 3.34 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.45 3.82 1.21 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 0.00 0.00 0.00 0.00 0.00 41 V 7.10 2.63 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 0.34 0.00 0.00 42 D 7.40 4.15 0.00 2.69 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 43 L 7.58 4.03 0.00 1.73 1.61 0.75 0.52 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 44 L 7.66 3.93 0.00 1.48 1.58 0.41 0.54 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 45 K 7.63 4.24 0.00 1.95 1.98 0.00 1.20 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.35 7.81 46 S 7.31 4.41 0.00 3.91 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 4.10 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 T 8.02 4.54 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 49 A 8.41 4.09 1.29 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 0.00 0.00 50 A 7.86 4.14 1.29 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 0.00 0.00 51 T 7.52 3.85 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 52 P 0.00 4.43 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 53 V 8.04 4.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.00 0.00 0.00 54 K 8.64 4.74 0.00 1.76 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 55 E 8.40 4.75 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 56 V 8.31 4.35 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 0.77 0.00 0.00 0.93 0.00 0.00 57 L 8.30 4.55 0.00 1.63 1.59 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.77 4.10 0.00 1.92 1.84 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 2.29 2.31 0.00