NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6811 8.3249 119.4151 56.3602 40.0590 174.5424 2 P 4.1436 0.0000 0.0000 62.0631 31.4889 174.7856 3 M 4.1072 8.9302 123.9284 55.8698 33.5685 177.2644 4 F 4.4534 8.6959 128.9916 56.9590 37.3254 173.3902 5 K 4.4052 6.8150 120.3719 56.1564 37.4981 177.1587 6 R 4.3330 7.7319 129.5952 54.5698 30.9650 174.8500 7 G 3.7651 7.8892 109.7251 45.0679 0.0000 171.9523 8 R 4.3951 8.7813 122.7525 55.4833 30.9992 174.6578 9 C 4.9185 7.7713 110.8800 55.0183 42.3060 173.4529 10 L 4.4048 7.7362 121.3864 55.5172 43.6639 173.6571 11 C 4.4798 8.1554 123.4027 54.0267 42.6402 169.4609 12 I 3.2917 7.6974 130.6909 60.6760 36.9757 174.5832 13 G 4.8760 8.0575 123.6340 46.5818 0.0000 171.8280 14 P 4.5791 0.0000 0.0000 62.3391 32.3522 177.6303 15 G 3.9484 7.9236 106.0451 46.3465 0.0000 173.1793 16 V 4.5530 6.5833 113.2876 62.0476 34.4400 176.4133 17 K 4.4179 8.2924 116.6487 57.4567 33.5791 174.7125 18 A 4.2483 9.5423 131.5408 52.3975 22.3199 175.5985 19 V 3.0348 8.2259 107.9872 62.4297 31.0129 171.9890 20 K 4.3947 8.1846 119.9918 55.9359 31.8406 178.1563 21 V 4.3404 8.3945 120.4691 60.2931 31.3254 176.9827 22 A 4.7252 8.6778 121.8395 53.9633 25.2735 178.5458 23 D 4.5226 8.1091 114.7010 56.6015 41.2257 176.3365 24 I 4.5110 7.1018 110.0185 60.4789 40.5136 172.6632 25 E 4.1327 9.5945 122.6966 55.8203 27.2405 172.4249 26 K 4.4368 7.6436 117.3854 55.2216 34.7213 176.3023 27 A 4.4522 8.5075 127.9540 51.4643 19.6274 177.6554 28 S 4.5752 8.2303 120.5057 55.5337 62.7719 172.7432 29 I 4.3080 7.0286 119.8021 60.6036 41.2545 174.8864 30 M 4.9554 7.9336 122.3360 53.8613 30.9707 173.0863 31 Y 4.9385 8.5770 123.0816 56.1221 43.9193 174.5843 32 P 4.7891 0.0000 0.0000 62.8896 30.9369 177.0013 33 S 3.6216 9.3544 110.8267 58.8041 61.4012 171.1854 34 N 4.2405 8.2078 112.8254 54.0180 35.6355 174.7951 35 N 4.8881 8.1884 110.4163 54.2475 41.0972 172.4189 36 C 4.7622 7.7940 113.2092 56.5033 43.7933 172.9018 37 D 4.6860 8.5446 118.2719 53.2874 39.9746 175.9406 38 K 4.4760 7.6591 120.4253 56.3122 35.2233 175.5518 39 I 4.5661 8.1004 113.9930 59.2538 38.6339 174.8898 40 E 4.4676 8.4972 128.3120 55.2723 31.9426 174.7923 41 V 4.4434 8.1567 122.1195 61.0763 35.4289 174.2934 42 I 4.3332 8.3676 127.4667 60.0019 39.0795 174.5261 43 I 4.9281 8.8366 128.3359 59.5484 41.0434 174.7520 44 T 5.0684 8.5124 112.7149 59.1559 72.2380 173.3436 45 L 4.6795 8.0943 121.1586 53.8918 42.3543 176.0472 46 K 4.3857 8.2330 130.8946 55.0231 30.2678 174.6628 47 E 4.2263 7.2255 121.0204 56.3230 30.8352 174.9803 48 N 5.0369 8.0639 114.5821 52.0960 39.4200 174.5571 49 K 4.9202 7.3331 116.4275 55.3467 34.9151 174.4150 50 G 4.2071 8.6852 102.5997 48.1400 0.0000 172.7324 51 Q 4.9467 8.0822 116.0426 54.1769 32.2824 175.8863 52 R 4.7153 9.0738 118.9622 54.6665 31.7771 169.6462 53 C 5.1669 8.2689 115.5358 53.8050 43.3164 172.6555 54 L 4.4438 8.4727 124.7125 55.3354 44.4923 175.5844 55 N 4.6450 8.5337 122.3146 52.2832 37.6484 173.3534 56 P 4.5471 0.0000 0.0000 64.0346 31.9321 175.8035 57 K 4.6158 7.2220 116.8802 57.3576 38.9237 176.0110 58 S 4.3520 7.7234 113.5175 57.8811 64.0921 173.9579 59 K 4.6038 8.1331 120.6845 54.7231 33.6178 176.7733 60 Q 4.1033 8.5846 123.9021 57.7079 28.8165 177.6756 61 A 4.1275 7.8951 121.5746 54.1485 18.1956 179.1326 62 R 3.7833 7.4512 116.8846 59.2136 30.2094 177.8945 63 L 4.2796 7.8968 117.5258 56.1455 41.9584 178.5081 64 I 4.0022 7.3977 119.1614 62.8451 37.4355 177.8389 65 I 3.6246 7.8699 121.5867 64.2651 36.9644 177.8446 66 K 4.2572 7.9296 115.3560 57.7451 33.1592 178.0486 67 K 4.2356 7.3672 122.1596 59.0467 32.4975 178.8794 68 V 3.6275 8.2124 118.7807 65.7413 31.1995 176.8054 69 E 4.3058 7.9359 116.1495 57.0539 29.6555 177.8259 70 R 4.2074 7.7841 116.6605 57.5272 30.4638 175.4708 71 K 4.7153 7.2175 118.7966 53.9678 35.7478 174.9884 72 N 4.7245 8.5020 118.7291 52.4197 38.2612 174.9645 73 F 4.4307 8.5168 120.7493 58.5259 39.8410 174.4966 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 F 8.32 4.68 0.00 3.09 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 2 P 0.00 4.14 0.00 2.22 2.06 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 3 M 8.93 4.11 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 4 F 8.70 4.45 0.00 2.97 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 5 K 6.81 4.41 0.00 1.72 1.60 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.42 7.81 6 R 7.73 4.33 0.00 1.72 1.81 0.00 3.29 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 7 G 7.89 3.77 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 0.00 0.00 0.00 8 R 8.78 4.40 0.00 1.74 1.93 0.00 3.28 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 9 C 7.77 4.92 0.00 3.09 3.31 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 10 L 7.74 4.40 0.00 1.54 1.53 0.91 0.94 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 11 C 8.16 4.48 0.00 3.23 2.95 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 0.00 0.00 0.00 12 I 7.70 3.29 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 0.34 0.91 0.00 0.00 13 G 8.06 4.88 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 14 P 0.00 4.58 0.00 2.19 2.24 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 15 G 7.92 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 16 V 6.58 4.55 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 0.73 0.00 0.00 1.04 0.00 0.00 17 K 8.29 4.42 0.00 1.64 1.67 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.28 7.81 18 A 9.54 4.25 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.23 3.03 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 0.70 0.00 0.00 0.98 0.00 0.00 20 K 8.18 4.39 0.00 1.78 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.44 7.81 21 V 8.39 4.34 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 0.85 0.00 0.00 0.93 0.00 0.00 22 A 8.68 4.73 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.52 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.10 4.51 1.96 0.00 0.00 0.87 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 0.35 0.93 0.00 0.00 25 E 9.59 4.13 0.00 2.24 2.01 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 2.18 2.25 0.00 26 K 7.64 4.44 0.00 1.83 1.74 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.39 7.81 27 A 8.51 4.45 1.22 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 28 S 8.23 4.58 0.00 3.59 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 29 I 7.03 4.31 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.70 0.99 0.00 0.00 30 M 7.93 4.96 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.25 0.00 31 Y 8.58 4.94 0.00 2.85 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 32 P 0.00 4.79 0.00 2.34 2.40 0.00 4.26 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.98 0.00 33 S 9.35 3.62 0.00 3.99 3.97 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 34 N 8.21 4.24 0.00 2.86 2.85 0.00 0.00 6.69 7.84 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 35 N 8.19 4.89 0.00 2.65 2.69 0.00 0.00 6.81 7.21 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 36 C 7.79 4.76 0.00 3.16 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 37 D 8.54 4.69 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 4.48 0.00 1.84 1.97 0.00 1.44 0.00 0.00 2.05 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.43 7.81 39 I 8.10 4.57 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.87 0.00 0.00 40 E 8.50 4.47 0.00 2.12 2.14 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 2.34 2.36 0.00 41 V 8.16 4.44 2.28 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 0.89 0.00 0.00 0.91 0.00 0.00 42 I 8.37 4.33 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.92 0.00 0.00 43 I 8.84 4.93 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 1.26 0.94 0.93 0.00 0.00 44 T 8.51 5.07 4.33 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 1.26 0.00 0.00 45 L 8.09 4.68 0.00 1.68 1.94 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.23 4.39 0.00 1.72 1.79 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.48 7.81 47 E 7.23 4.23 0.00 1.96 1.76 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 2.22 2.28 0.00 48 N 8.06 5.04 0.00 2.81 2.82 0.00 0.00 5.82 7.13 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 49 K 7.33 4.92 0.00 1.94 1.79 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.34 7.81 50 G 8.69 4.21 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 0.00 51 Q 8.08 4.95 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.16 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 52 R 9.07 4.72 0.00 1.74 1.82 0.00 3.26 0.00 0.00 3.46 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.86 0.00 53 C 8.27 5.17 0.00 2.99 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 54 L 8.47 4.44 0.00 1.59 1.47 0.91 1.13 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 55 N 8.53 4.64 0.00 2.88 2.90 0.00 0.00 6.35 8.07 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 56 P 0.00 4.55 0.00 2.17 2.20 0.00 3.48 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 1.93 2.08 0.00 57 K 7.22 4.62 0.00 1.70 1.72 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.36 7.81 58 S 7.72 4.35 0.00 3.99 3.97 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 59 K 8.13 4.60 0.00 1.86 1.92 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.42 7.81 60 Q 8.58 4.10 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 61 A 7.90 4.13 1.28 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 0.00 0.00 0.00 62 R 7.45 3.78 0.00 1.83 2.04 0.00 3.24 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 63 L 7.90 4.28 0.00 1.91 1.67 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.40 4.00 1.95 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 1.62 0.86 0.90 0.00 0.00 65 I 7.87 3.62 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 0.87 0.00 0.00 66 K 7.93 4.26 0.00 1.85 1.91 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.45 7.81 67 K 7.37 4.24 0.00 1.98 2.08 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.56 7.81 68 V 8.21 3.63 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 0.99 0.00 0.00 1.02 0.00 0.00 69 E 7.94 4.31 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 70 R 7.78 4.21 0.00 2.01 1.97 0.00 3.16 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 71 K 7.22 4.72 0.00 1.62 1.67 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.37 7.81 72 N 8.50 4.72 0.00 2.90 2.83 0.00 0.00 5.71 7.43 0.00 0.00 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 F 8.52 4.43 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00