NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9244 8.3393 109.7362 45.3057 0.0000 173.4597 3 K 3.9632 8.4884 122.2198 55.8831 33.6107 171.0451 4 V 4.4981 8.4530 119.6431 61.4458 35.8729 174.8709 5 Y 5.1249 8.7653 123.3680 56.0512 41.4871 174.5942 6 K 4.5488 8.4073 121.3994 54.4673 35.9923 174.8653 7 K 4.8315 8.3895 123.6441 54.5948 35.0314 175.8765 8 V 4.5657 8.5652 117.1757 59.4897 35.5367 174.1219 9 E 5.0118 8.7387 124.0619 54.8078 30.8939 174.9020 10 L 4.9080 8.9969 126.5405 52.8365 46.1912 175.9116 11 V 4.7404 8.3031 119.6526 61.3367 33.5990 174.8703 12 G 4.2311 8.8931 116.3477 45.3659 0.0000 171.7588 13 T 5.8255 7.8791 111.5469 59.0414 72.2048 172.8053 14 S 4.6364 8.2445 113.7157 58.2770 65.3543 175.9657 15 E 4.4934 9.0486 122.6285 56.2615 30.0930 177.0464 16 E 4.3159 8.4091 118.6273 56.7450 30.7193 176.2227 17 G 3.1268 7.0643 104.2264 44.5428 0.0000 172.7374 18 L 3.7786 7.3022 118.1379 57.9643 41.5521 179.1952 19 E 3.9008 8.0821 117.7007 59.4547 29.3000 179.2597 20 A 3.9101 7.8485 119.8890 55.1306 18.6133 179.3741 21 A 3.9243 7.8170 118.8018 55.2122 18.4182 179.9793 22 I 3.5130 7.7354 118.2730 64.6088 37.2084 178.6227 23 Q 3.8650 8.2578 118.9395 58.8500 28.6275 178.7037 24 A 3.9433 8.2574 121.8014 55.2559 18.4172 179.5956 25 A 3.9212 7.7919 118.6395 55.2706 18.4165 179.9285 26 L 3.8965 7.9442 117.3661 57.4979 41.4116 179.4644 27 A 3.9074 8.2315 120.3941 55.3506 18.5560 179.4693 28 R 3.9174 7.8990 116.6268 59.3695 30.1240 178.5513 29 A 3.9353 7.9717 120.8088 54.9262 18.1100 179.5199 30 R 3.8658 7.7643 116.3653 59.0739 30.1629 178.4866 31 K 4.1812 7.5752 117.7067 58.3763 32.1755 177.5261 32 T 4.5322 7.6626 105.2068 60.3240 70.2638 173.4427 33 L 4.4250 7.7278 122.2349 52.8165 43.9150 175.9393 34 R 4.4622 7.9705 120.9619 55.7894 32.7045 175.1335 35 H 4.2108 8.5524 114.2327 56.7523 25.9074 175.1833 36 L 4.5120 8.2269 118.8418 55.6731 42.1083 175.7322 37 D 5.2065 9.5054 122.8344 55.2170 42.7935 176.2772 38 W 5.5882 7.9909 113.2529 54.9909 32.2069 172.8953 39 F 5.2450 8.4436 113.8266 55.4780 41.0067 173.8029 40 E 4.7344 9.3023 118.8592 54.7482 33.7081 174.7815 41 V 4.3701 8.6761 124.4732 62.7797 31.9233 175.1711 42 K 4.5030 9.1739 127.6445 57.8774 33.5665 176.6596 43 E 4.8753 7.9659 116.9756 54.7036 34.4998 174.7321 44 I 5.1382 8.3155 121.6703 59.9674 40.6673 174.6771 45 R 4.6047 9.0482 123.8470 56.0805 33.3607 173.4946 46 G 4.0910 8.0270 105.2488 46.8207 0.0000 172.5181 47 T 4.7495 7.9164 109.8886 60.0435 71.5662 173.6287 48 I 4.7424 8.2496 123.1690 59.8146 39.9208 175.2809 49 G 4.3347 9.2005 116.3745 43.7294 0.0000 172.8373 50 E 3.8794 8.8814 117.1987 59.1036 29.4594 177.8400 51 A 4.4830 7.7032 118.7043 51.7839 20.3947 176.3266 52 G 4.1033 7.3389 103.5477 44.0280 0.0000 177.5328 53 V 3.8546 8.4480 125.2803 62.7389 31.1658 174.4591 54 K 4.2194 8.8348 130.2727 57.7141 32.6745 175.3084 55 E 4.9951 8.3062 118.3203 54.6457 33.4758 173.9806 56 Y 4.7913 9.5466 122.2508 56.8349 40.3075 174.6027 57 Q 5.0447 9.5513 122.8342 54.0952 32.3981 174.4987 58 V 4.7913 8.8949 124.7665 61.0480 34.2246 174.3338 59 V 4.7188 8.6374 129.1807 62.0135 32.8115 174.7642 60 L 5.2419 9.3285 127.1677 54.5960 44.6522 174.2688 61 E 5.0642 9.4268 119.5993 54.6625 32.2680 175.1895 62 V 4.4720 8.8210 124.7707 61.0855 33.9639 174.3371 63 G 2.9459 8.6389 116.9567 44.0631 0.0000 172.3772 64 F 5.6940 8.2249 118.7131 54.9157 41.8792 173.7454 65 R 4.1657 8.8595 121.5570 56.3126 30.5632 175.7608 66 L 4.6541 8.3072 126.5295 53.8933 42.8093 176.7404 67 E 4.2905 8.7959 122.0199 56.0405 30.6601 176.6861 68 E 4.2493 8.5168 119.1785 56.6434 29.7891 176.2207 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 G 8.34 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 3 K 8.49 3.96 0.00 1.59 1.66 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.56 7.81 4 V 8.45 4.50 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 1.07 0.00 0.00 0.90 0.00 0.00 5 Y 8.77 5.12 0.00 3.04 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 6 K 8.41 4.55 0.00 1.52 0.74 0.00 1.60 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.07 1.25 7.81 7 K 8.39 4.83 0.00 1.56 1.55 0.00 2.01 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.92 1.30 7.81 8 V 8.57 4.57 2.15 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 0.99 0.00 0.00 1.07 0.00 0.00 9 E 8.74 5.01 0.00 1.97 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 2.21 2.33 0.00 10 L 9.00 4.91 0.00 1.56 1.49 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.30 4.74 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.89 4.23 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 0.00 13 T 7.88 5.83 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 1.22 0.00 0.00 14 S 8.24 4.64 0.00 3.88 3.75 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 15 E 9.05 4.49 0.00 2.03 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 2.41 2.30 0.00 16 E 8.41 4.32 0.00 1.95 1.99 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 2.31 2.39 0.00 17 G 7.06 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 0.00 0.00 0.00 18 L 7.30 3.78 0.00 1.57 1.65 0.89 0.93 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 19 E 8.08 3.90 0.00 1.98 1.96 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 2.39 2.43 0.00 20 A 7.85 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 3.92 1.43 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 0.00 0.00 22 I 7.74 3.51 1.89 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 1.42 0.78 0.37 0.00 0.00 23 Q 8.26 3.86 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 24 A 8.26 3.94 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 25 A 7.79 3.92 1.34 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 0.00 0.00 0.00 26 L 7.94 3.90 0.00 1.74 1.64 0.56 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.23 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.92 0.00 1.94 1.89 0.00 3.11 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 29 A 7.97 3.94 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 30 R 7.76 3.87 0.00 1.92 2.14 0.00 3.24 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 K 7.58 4.18 0.00 1.83 1.81 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 32 T 7.66 4.53 4.16 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 1.16 0.00 0.00 33 L 7.73 4.43 0.00 1.45 0.86 0.49 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.97 4.46 0.00 1.60 1.52 0.00 3.28 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 35 H 8.55 4.21 0.00 3.66 3.51 0.00 5.63 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.23 4.51 0.00 1.69 1.70 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.51 5.21 0.00 3.02 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 W 7.99 5.59 0.00 3.25 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 39 F 8.44 5.25 0.00 3.02 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 40 E 9.30 4.73 0.00 1.95 1.90 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 0.00 2.39 2.46 0.00 41 V 8.68 4.37 2.17 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 0.89 0.00 0.00 1.14 0.00 0.00 42 K 9.17 4.50 0.00 1.66 1.86 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.47 7.81 43 E 7.97 4.88 0.00 1.88 1.79 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 2.30 2.34 0.00 44 I 8.32 5.14 1.92 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 1.45 0.64 1.00 0.00 0.00 45 R 9.05 4.60 0.00 1.78 2.02 0.00 2.84 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 46 G 8.03 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 0.00 0.00 0.00 47 T 7.92 4.75 4.20 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 1.18 0.00 0.00 48 I 8.25 4.74 1.84 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 1.21 0.60 0.93 0.00 0.00 49 G 9.20 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 0.00 0.00 0.00 0.00 50 E 8.88 3.88 0.00 1.96 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 2.31 2.30 0.00 51 A 7.70 4.48 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 52 G 7.34 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 53 V 8.45 3.85 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 -0.20 0.00 0.00 0.67 0.00 0.00 54 K 8.83 4.22 0.00 1.86 1.72 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.38 7.81 55 E 8.31 5.00 0.00 1.91 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 2.21 2.23 0.00 56 Y 9.55 4.79 0.00 2.90 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 57 Q 9.55 5.04 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.89 4.79 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 1.02 0.00 0.00 0.96 0.00 0.00 59 V 8.64 4.72 2.19 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 1.04 0.00 0.00 0.95 0.00 0.00 60 L 9.33 5.24 0.00 1.97 1.75 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.43 5.06 0.00 1.88 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 2.23 2.24 0.00 62 V 8.82 4.47 2.11 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 0.98 0.00 0.00 0.92 0.00 0.00 63 G 8.64 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 0.00 0.00 0.00 64 F 8.22 5.69 0.00 3.42 3.09 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 65 R 8.86 4.17 0.00 2.03 1.93 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.04 0.00 66 L 8.31 4.65 0.00 1.62 1.57 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.80 4.29 0.00 1.99 1.90 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 0.00 2.38 2.45 0.00 68 E 8.52 4.25 0.00 1.92 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 0.00 2.22 2.25 0.00