NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8922 8.3544 109.7333 45.7100 0.0000 173.9179 2 S 4.2269 9.1545 116.5135 58.8741 63.2640 172.6719 3 S 4.3370 8.2273 112.8222 60.6654 63.7139 174.5449 4 G 3.8155 8.3395 107.4625 48.3611 0.0000 174.3932 5 S 3.6176 7.8550 113.2455 59.1691 60.3175 172.1753 6 S 4.4759 7.9994 115.2314 57.6259 64.8750 174.7444 7 G 3.8300 8.2732 108.4489 46.7000 0.0000 172.6363 8 D 4.8510 8.4636 112.6030 53.1100 40.4197 176.7128 9 C 4.5008 7.7378 118.4488 57.6555 31.6673 171.4327 10 Y 4.4791 8.3241 126.7396 55.3089 40.8133 174.3801 11 K 4.8930 8.3902 124.8762 55.2552 36.1186 175.0465 12 N 4.8712 8.4025 115.7276 54.6162 41.0453 174.4850 13 F 4.3513 7.7108 115.2941 57.2309 42.2558 172.8356 14 V 4.3988 7.8264 127.1984 59.6226 33.5325 175.3100 15 A 4.3537 8.3380 125.4572 51.0090 19.5804 177.4599 16 K 4.0407 8.2790 119.0671 55.8314 31.4273 177.5779 17 K 4.1758 8.2573 124.4061 55.7786 31.4991 177.1555 18 C 3.7781 8.4214 123.5959 60.0492 31.9031 173.4847 19 A 4.8849 7.1378 124.9372 51.8913 19.0255 178.0807 20 G 4.1695 8.2170 107.3228 48.2971 0.0000 174.2135 21 C 4.4871 8.1910 111.8512 56.7749 31.4739 173.1385 22 K 3.9483 7.5263 118.7506 57.3372 29.1836 174.2639 23 N 5.1269 7.3734 115.0703 50.5602 43.3161 172.7585 24 P 4.6949 0.0000 0.0000 63.1362 32.1101 177.6192 25 I 4.2226 8.0576 125.0450 60.3287 35.5452 175.1037 26 T 4.4637 8.0049 114.5255 60.3902 70.6822 174.4936 27 G 3.2548 8.1903 112.6601 45.1651 0.0000 170.8368 28 F 4.5179 7.9284 121.6295 57.1946 40.3836 175.6685 29 G 4.1388 7.3518 119.6365 46.4960 0.0000 175.2459 30 K 4.3445 9.2568 120.4734 53.9393 32.3200 173.7552 31 G 4.1382 7.6163 107.3021 43.6438 0.0000 171.2576 32 S 4.6432 7.9223 116.2508 57.5821 67.1329 175.3921 33 S 4.8307 8.4270 120.1153 56.2390 63.6193 172.3835 34 V 4.5624 7.7476 120.7413 59.7023 34.7934 175.3832 35 V 4.1487 8.6770 123.1441 61.8675 33.2892 174.4593 36 A 5.2185 8.0552 126.1092 50.7196 22.4915 175.0150 37 Y 4.6979 9.4310 119.8130 58.1199 42.3259 174.3961 38 E 3.2568 9.5177 125.3920 57.0791 27.4007 174.2958 39 G 4.0972 8.3907 107.9026 45.8513 0.0000 174.8150 40 Q 3.9805 7.6599 118.2303 55.5584 29.2772 174.6566 41 S 4.9962 6.8260 111.8169 57.1089 67.0910 173.1591 42 W 4.9657 9.0589 120.2950 55.5652 33.7162 174.5167 43 H 4.2827 8.7433 121.8641 55.7818 28.8586 176.0279 44 D 4.5743 8.1313 118.9366 57.0580 41.1953 177.0988 45 Y 4.5825 7.2530 115.3715 58.3244 39.0285 176.4037 46 C 4.1984 7.3258 117.6387 62.2024 28.6832 173.1196 47 F 4.3559 8.7065 123.6087 58.8467 38.6774 173.8558 48 H 4.7427 7.6044 119.1863 53.9692 31.0664 173.1132 49 C 3.9531 8.4102 120.3598 59.4337 32.6443 173.6208 50 K 4.3777 7.2997 124.2167 56.0582 31.8435 176.4048 51 K 4.4823 7.8757 116.2949 57.2570 33.8491 176.7670 52 C 4.2860 8.0733 110.7673 57.6718 31.0613 172.9670 53 S 3.8528 8.0686 114.7902 58.8434 59.3004 171.5207 54 V 4.2081 6.9516 119.8871 59.5275 33.6283 175.4974 55 N 4.3908 8.6581 121.2422 54.1187 38.3099 173.9474 56 L 4.5378 8.1500 126.2428 54.1252 42.0587 176.2202 57 A 4.3209 7.6586 121.5151 53.7422 18.1132 177.9444 58 N 4.2809 8.9807 120.1509 54.8575 36.0409 173.9743 59 K 4.8058 8.1751 117.3710 54.2505 35.7523 175.7897 60 R 4.2332 8.4317 119.5414 56.7372 30.5443 175.2383 61 F 4.8776 7.6491 117.4563 56.3173 41.3117 173.1734 62 V 4.1990 8.5783 118.1637 61.4981 34.2572 174.0712 63 F 5.0811 9.0182 131.6282 58.5202 40.0805 174.0659 64 H 4.5869 9.2270 124.4467 56.4394 33.3059 173.1364 65 Q 3.3192 8.9544 124.1768 57.8086 26.0300 173.2898 66 E 3.5499 7.9830 109.2316 57.1639 27.6889 174.5027 67 Q 4.4328 7.3663 116.8169 54.2727 33.0599 173.6948 68 V 4.8112 7.4229 116.7945 61.7223 35.1072 174.2841 69 Y 4.7710 8.7154 124.3395 56.3793 42.3362 174.5291 70 C 4.3378 9.0328 119.5478 58.0339 30.3182 172.9621 71 P 4.2915 0.0000 0.0000 66.5424 31.0035 177.8452 72 D 4.3836 8.1035 116.3004 57.2209 41.1512 177.5326 73 C 3.9728 8.1208 116.2090 63.0703 28.4536 175.9607 74 A 3.8876 8.6028 122.4340 55.2905 17.6115 179.8366 75 K 3.9424 8.0439 116.4332 59.4409 32.1199 179.3368 76 K 4.1101 8.0086 118.3220 58.7081 32.0451 177.0478 77 L 4.0209 7.3483 122.8928 54.8635 41.5116 176.6105 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 G 8.35 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 2 S 9.15 4.23 0.00 3.88 3.85 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 0.00 0.00 0.00 3 S 8.23 4.34 0.00 3.85 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 G 8.34 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.86 3.62 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 4.48 0.00 3.86 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 7 G 8.27 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 8 D 8.46 4.85 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.74 4.50 0.00 2.92 2.85 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 0.00 0.00 0.00 10 Y 8.32 4.48 0.00 2.95 2.71 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 0.00 0.00 0.00 0.00 11 K 8.39 4.89 0.00 1.87 1.75 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.33 7.81 12 N 8.40 4.87 0.00 2.77 2.94 0.00 0.00 6.89 7.11 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 13 F 7.71 4.35 0.00 3.02 2.86 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 0.00 0.00 0.00 14 V 7.83 4.40 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 0.71 0.00 0.00 0.89 0.00 0.00 15 A 8.34 4.35 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 16 K 8.28 4.04 0.00 1.67 1.65 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.37 7.81 17 K 8.26 4.18 0.00 1.65 1.69 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.47 7.81 18 C 8.42 3.78 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.14 4.88 1.06 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 0.00 0.00 0.00 0.00 0.00 20 G 8.22 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.19 4.49 0.00 3.19 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 22 K 7.53 3.95 0.00 2.10 1.94 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.57 7.81 23 N 7.37 5.13 0.00 2.77 2.70 0.00 0.00 6.88 8.08 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 24 P 0.00 4.69 0.00 2.22 2.09 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 25 I 8.06 4.22 1.86 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.92 0.00 0.00 26 T 8.00 4.46 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 1.27 0.00 0.00 27 G 8.19 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.93 4.52 0.00 2.92 3.07 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 0.00 0.00 0.00 0.00 29 G 7.35 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.26 4.34 0.00 1.71 1.73 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 31 G 7.62 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.64 0.00 3.80 3.71 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 0.00 0.00 0.00 0.00 33 S 8.43 4.83 0.00 3.76 3.76 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 34 V 7.75 4.56 2.04 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 0.73 0.00 0.00 0.84 0.00 0.00 35 V 8.68 4.15 1.25 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 0.03 0.00 0.00 0.65 0.00 0.00 36 A 8.06 5.22 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.43 4.70 0.00 3.10 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 38 E 9.52 3.26 0.00 1.88 1.77 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 1.47 1.60 0.00 39 G 8.39 4.10 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 0.00 0.00 0.00 40 Q 7.66 3.98 0.00 2.24 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 7.12 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 41 S 6.83 5.00 0.00 3.58 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 9.06 4.97 0.00 3.07 3.01 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 0.00 0.00 0.00 43 H 8.74 4.28 0.00 2.05 2.10 0.00 5.82 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.13 4.57 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.25 4.58 0.00 3.15 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 46 C 7.33 4.20 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 4.36 0.00 3.11 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.60 4.74 0.00 3.15 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.41 3.95 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.30 4.38 0.00 1.14 1.19 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.35 7.81 51 K 7.88 4.48 0.00 1.99 1.83 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.48 7.81 52 C 8.07 4.29 0.00 3.11 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 53 S 8.07 3.85 0.00 3.99 3.85 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 0.00 0.00 0.00 54 V 6.95 4.21 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 0.66 0.00 0.00 0.93 0.00 0.00 55 N 8.66 4.39 0.00 2.74 2.84 0.00 0.00 7.05 8.04 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 56 L 8.15 4.54 0.00 1.23 1.53 0.73 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.66 4.32 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 58 N 8.98 4.28 0.00 2.93 2.95 0.00 0.00 6.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.18 4.81 0.00 1.84 1.79 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.62 7.81 60 R 8.43 4.23 0.00 1.76 1.83 0.00 3.18 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 61 F 7.65 4.88 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.58 4.20 2.30 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 0.87 0.00 0.00 0.89 0.00 0.00 63 F 9.02 5.08 0.00 3.21 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 9.23 4.59 0.00 3.22 3.10 0.00 5.98 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.95 3.32 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 66 E 7.98 3.55 0.00 2.06 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 2.28 2.31 0.00 67 Q 7.37 4.43 0.00 2.29 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 68 V 7.42 4.81 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.48 0.00 0.00 69 Y 8.72 4.77 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 9.03 4.34 0.00 3.00 3.07 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 0.00 0.00 0.00 0.00 71 P 0.00 4.29 0.00 2.03 2.17 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 72 D 8.10 4.38 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.12 3.97 0.00 3.11 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 74 A 8.60 3.89 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 75 K 8.04 3.94 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.78 7.81 76 K 8.01 4.11 0.00 1.72 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.50 7.81 77 L 7.35 4.02 0.00 1.51 1.31 0.42 0.12 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