NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2649 8.1849 120.6264 53.7555 43.0205 176.4586 2 P 4.3284 0.0000 0.0000 61.5880 32.0388 175.1542 3 A 4.2120 8.3477 122.9121 54.6096 19.5165 177.9754 4 S 4.7917 7.6834 107.9876 56.7519 66.1365 173.2218 5 F 4.5740 8.5046 123.3617 56.8373 42.2619 173.0269 6 D 4.5188 7.5593 125.8800 51.4514 43.2688 175.4028 7 A 4.0060 8.7949 129.4937 55.6600 18.0921 179.1773 8 R 3.9435 7.9965 115.3672 59.2068 30.1175 178.5438 9 E 4.1198 7.9196 117.8439 58.7521 29.8540 178.3235 10 Q 3.7141 7.4146 118.1587 57.1072 30.6398 175.8799 11 W 5.3180 8.1492 118.4384 53.2167 29.2766 174.3960 12 P 4.3900 0.0000 0.0000 65.1618 31.0310 178.0772 13 Q 4.2511 8.1933 115.9201 57.0392 29.4173 175.8228 14 C 4.9683 8.1429 118.3193 53.8777 36.2036 172.0999 15 P 4.1206 0.0000 0.0000 66.2216 30.5049 178.3659 16 T 3.8777 7.9273 108.7416 64.6248 68.4056 176.1936 17 I 3.8132 7.3974 123.0133 63.2391 37.2071 177.5490 18 K 4.3637 7.6091 117.0573 55.8572 32.6274 176.6980 19 E 4.0459 7.8127 121.5978 55.9652 29.9868 175.6732 20 I 4.4122 8.3069 126.7997 59.6827 39.1329 175.5828 21 R 4.5349 8.3887 124.4748 54.6054 32.3476 174.7176 22 D 4.4640 8.1996 117.3231 52.6553 43.0137 175.2557 23 Q 2.9282 8.0759 124.8826 56.2687 29.3347 177.4827 24 G 3.8439 7.8228 107.5993 45.5491 0.0000 173.8659 25 S 4.5190 8.3044 112.2570 56.8913 61.5633 173.2289 26 C 4.7114 7.6195 120.1884 57.8620 35.5808 174.3921 27 G 4.0580 8.6116 116.6853 45.2821 0.0000 174.2900 28 S 4.7635 7.4634 107.9703 58.3935 65.0956 175.8540 29 C 4.2588 8.2312 120.7684 62.0213 29.0786 174.4612 30 W 4.2251 8.2753 118.8864 59.4532 27.5913 178.0805 31 A 3.3151 6.2076 120.9147 54.4125 17.9449 179.3633 32 F 3.4815 7.8862 116.2984 60.5926 38.6319 178.2366 33 G 3.6875 8.5087 105.2151 47.4519 0.0000 175.6972 34 A 4.0209 7.5255 122.7054 55.2998 18.5252 180.0306 35 V 3.4963 7.7411 110.8554 64.5447 31.5122 178.8323 36 E 3.9000 8.0410 117.7352 59.4024 29.2972 179.2934 37 A 3.9865 7.6921 120.3299 55.0603 18.4148 179.7675 38 I 3.6026 8.1224 118.7960 64.5508 37.0312 178.7643 39 S 4.0715 8.3266 116.2999 61.7649 62.8121 176.4368 40 D 4.3287 8.1566 121.4789 57.6302 40.5093 179.2392 41 R 4.0423 8.2532 118.3411 58.5730 29.7533 179.2840 42 I 3.6743 7.4725 119.5394 64.4709 37.2366 177.1764 43 C 4.3856 7.6002 118.0680 59.7215 43.5263 175.3577 44 I 3.4398 7.5782 120.6308 63.8792 36.5238 176.8176 45 H 4.8322 7.6595 115.3891 54.7469 29.4556 171.6939 46 T 3.2628 7.7845 118.6796 62.5607 67.0404 171.3995 47 N 3.9046 8.5177 122.5536 54.2014 39.5010 174.8845 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 L 8.18 4.26 0.00 1.63 1.64 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.33 0.00 2.44 2.04 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 3 A 8.35 4.21 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 4 S 7.68 4.79 0.00 3.93 3.80 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 5 F 8.50 4.57 0.00 2.95 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 6 D 7.56 4.52 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 4.01 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 0.00 0.00 0.00 0.00 0.00 8 R 8.00 3.94 0.00 2.11 2.01 0.00 3.17 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 9 E 7.92 4.12 0.00 1.82 1.80 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 2.22 2.20 0.00 10 Q 7.41 3.71 0.00 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.38 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 11 W 8.15 5.32 0.00 3.63 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 12 P 0.00 4.39 0.00 2.19 2.18 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 13 Q 8.19 4.25 0.00 2.27 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 14 C 8.14 4.97 0.00 3.06 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 15 P 0.00 4.12 0.00 2.26 2.35 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 16 T 7.93 3.88 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 1.28 0.00 0.00 17 I 7.40 3.81 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.12 1.05 0.00 0.00 18 K 7.61 4.36 0.00 1.70 1.87 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 19 E 7.81 4.05 0.00 1.93 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 2.34 2.30 0.00 20 I 8.31 4.41 1.88 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 1.43 1.04 0.91 0.00 0.00 21 R 8.39 4.53 0.00 2.20 2.19 0.00 3.19 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 22 D 8.20 4.46 0.00 2.51 2.43 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 0.00 0.00 0.00 0.00 23 Q 8.08 2.93 0.00 1.81 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.47 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 24 G 7.82 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 0.00 0.00 0.00 25 S 8.30 4.52 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 26 C 7.62 4.71 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 27 G 8.61 4.06 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 0.00 28 S 7.46 4.76 0.00 3.97 4.08 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 29 C 8.23 4.26 0.00 3.21 3.43 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 0.00 0.00 0.00 0.00 30 W 8.28 4.23 0.00 3.68 3.43 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 0.00 0.00 0.00 0.00 31 A 6.21 3.32 0.11 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 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.89 3.48 0.00 3.33 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 33 G 8.51 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 0.00 0.00 0.00 34 A 7.53 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.50 1.88 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 0.62 0.00 0.00 0.58 0.00 0.00 36 E 8.04 3.90 0.00 2.10 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 0.00 2.36 2.34 0.00 37 A 7.69 3.99 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 38 I 8.12 3.60 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 0.86 0.00 0.00 39 S 8.33 4.07 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.16 4.33 0.00 2.83 2.62 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 0.00 0.00 0.00 0.00 41 R 8.25 4.04 0.00 1.84 1.87 0.00 3.07 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 42 I 7.47 3.67 1.96 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 1.36 0.65 0.88 0.00 0.00 43 C 7.60 4.39 0.00 2.89 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.58 3.44 1.45 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.25 0.08 0.00 0.00 45 H 7.66 4.83 0.00 3.10 3.29 0.00 5.94 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.78 3.26 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 1.22 0.00 0.00 47 N 8.52 3.90 0.00 2.93 2.76 0.00 0.00 7.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00