NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 P 4.3532 0.0000 0.0000 62.0042 31.4499 175.5335 18 F 3.2075 7.4769 122.3239 62.8074 39.6826 174.2159 19 L 4.0613 8.7921 120.5264 57.3026 42.3456 179.0518 20 K 4.1391 8.0986 118.2549 58.8127 31.7488 178.8880 21 G 3.7209 7.3064 104.4202 47.6470 0.0000 174.6453 22 L 4.2320 7.6500 118.3480 53.8566 42.0699 177.0043 23 V 3.9780 7.2358 119.5836 64.3272 31.8779 174.6389 24 N 4.2316 8.3910 119.8139 54.4227 36.9874 173.6859 25 H 4.9890 7.7898 113.1053 53.7877 32.9168 173.1785 26 R 4.7850 8.4515 120.9002 55.9962 31.0730 175.5717 27 V 5.0416 9.4407 119.8149 59.5825 36.5308 174.7383 28 G 4.2852 9.7515 109.6299 44.6111 0.0000 172.2821 29 V 4.7409 9.1975 126.9893 61.3202 33.2897 174.3103 30 K 4.6676 8.6589 129.8702 54.6271 34.2807 175.4038 31 L 4.8681 7.9469 126.8172 52.5460 42.9840 177.0663 32 K 4.1425 8.2970 120.1146 58.6561 32.5748 177.7648 33 F 4.7493 6.7053 113.4971 55.8944 39.7805 176.0084 34 N 4.4945 8.8578 121.2712 52.9783 36.6796 173.8570 35 S 4.7706 8.1797 111.2005 58.9343 63.8875 174.5654 36 T 4.2023 7.6760 117.3541 64.4138 69.6513 173.1690 37 E 4.7862 9.1360 126.2915 54.7217 33.4977 173.3150 38 Y 5.3030 9.1684 124.8267 56.5902 40.3898 174.7586 39 R 4.9971 8.6420 122.8921 54.6411 33.6113 175.6190 40 G 3.9954 8.3295 108.5148 46.7013 0.0000 171.2964 41 T 4.8421 7.7793 116.4576 62.2468 70.4782 174.6886 42 L 4.3959 9.0719 129.9992 54.3496 41.7127 177.3545 43 V 3.7636 8.8268 126.6684 65.0264 31.4950 175.7688 44 S 4.7651 7.6607 112.9910 57.7495 66.9022 172.2445 45 T 5.2617 7.8850 115.6823 63.9622 72.1299 172.5100 46 D 4.5375 8.7195 117.3474 53.9161 42.3646 177.8887 47 N 4.1648 8.3617 120.0277 56.5855 38.7815 175.5772 48 Y 3.9021 8.0530 114.1933 58.8975 37.9779 177.4347 49 F 3.9662 9.3763 117.8188 58.0315 37.1361 174.6382 50 N 5.0335 7.8030 119.1242 52.9704 39.7250 174.2371 51 L 5.2770 9.3188 122.3609 54.1300 45.0584 174.8002 52 Q 4.3717 8.8061 120.6412 54.1305 31.5197 173.6384 53 L 5.0200 8.3219 128.8711 53.2772 44.8485 174.5306 54 N 5.4645 9.0039 124.5594 51.2980 41.6673 173.8847 55 E 4.0380 8.0997 120.9592 57.3401 27.8813 175.3857 56 A 4.5455 7.7539 119.9768 51.7662 20.5351 177.6192 57 E 5.0429 9.6214 123.3010 54.2746 32.8599 174.3177 58 E 4.9245 9.2837 128.8271 55.7917 31.3668 174.9378 59 F 5.0839 9.3772 125.5131 55.5792 42.8244 174.2570 60 V 4.3835 8.5816 122.8053 61.3782 34.1608 175.2535 61 A 3.8266 9.1216 129.1467 53.0862 16.6310 177.4249 62 G 4.0113 8.5819 103.9320 47.1022 0.0000 173.9494 63 V 4.4219 7.8350 118.6248 60.2833 34.1235 174.7467 64 S 3.8953 8.4284 121.3622 58.4764 62.4995 173.4298 65 H 4.7207 8.7439 126.2642 56.2299 29.0901 173.4125 66 G 3.6996 7.5304 106.0739 44.5614 0.0000 173.2928 67 T 4.9309 8.2535 114.5902 61.6349 71.1701 173.7245 68 L 4.7943 8.5983 126.0131 51.6386 44.7155 178.8346 69 G 4.4026 8.4570 115.6234 46.3164 0.0000 175.6814 70 E 4.8974 9.0289 128.7146 55.3451 30.5489 174.2960 71 I 4.8236 8.3804 118.4214 59.0021 40.9904 174.6628 72 F 4.9753 8.9845 122.6770 56.1176 40.6735 174.7971 73 I 4.5146 8.6306 125.6247 59.6853 39.0953 175.7595 74 R 4.8381 8.6399 127.1987 55.8591 31.5346 177.9858 75 S 4.3361 9.8803 119.6844 61.6672 62.3867 176.0312 76 N 3.9261 8.2613 116.9188 56.2034 38.3997 175.5096 77 N 4.7819 8.1163 112.9929 53.1485 39.0016 174.2576 78 V 4.1909 8.1647 120.0712 61.3155 32.8562 174.9673 79 L 4.3072 8.3925 130.8283 56.6663 42.1911 175.8213 80 Y 4.9087 6.8340 113.8306 56.5641 41.1675 171.9785 81 I 5.4027 8.8643 120.0210 59.5941 40.2589 175.2994 82 R 4.7935 9.2974 122.3039 54.2009 33.4608 173.6809 83 E 4.9670 8.5882 121.0234 55.2143 30.5000 175.6322 84 L 4.2255 9.4854 129.6105 53.5290 42.4005 174.0405 85 P 4.0709 0.0000 0.0000 63.5952 30.6566 175.7135 86 N 4.3152 7.7674 119.8425 51.8387 37.7822 174.4540 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 17 P 0.00 4.35 0.00 2.17 2.17 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 18 F 7.48 3.21 0.00 3.39 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 19 L 8.79 4.06 0.00 1.68 1.58 -0.08 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.10 4.14 0.00 1.77 1.84 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.51 7.81 21 G 7.31 3.72 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 0.00 0.00 0.00 22 L 7.65 4.23 0.00 1.80 1.66 0.87 0.44 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 23 V 7.24 3.98 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 0.74 0.00 0.00 0.96 0.00 0.00 24 N 8.39 4.23 0.00 2.86 2.77 0.00 0.00 6.75 7.70 0.00 0.00 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 H 7.79 4.99 0.00 3.32 3.14 0.00 5.80 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 26 R 8.45 4.78 0.00 1.89 1.82 0.00 3.11 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 27 V 9.44 5.04 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 0.68 0.00 0.00 0.98 0.00 0.00 28 G 9.75 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 0.00 0.00 0.00 0.00 29 V 9.20 4.74 2.21 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 0.98 0.00 0.00 0.99 0.00 0.00 30 K 8.66 4.67 0.00 1.30 0.74 0.00 1.33 0.00 0.00 1.41 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.75 1.05 7.81 31 L 7.95 4.87 0.00 0.88 0.85 0.78 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.30 4.14 0.00 1.70 1.87 0.00 2.04 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.47 7.81 33 F 6.71 4.75 0.00 3.16 3.11 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 34 N 8.86 4.49 0.00 2.94 3.02 0.00 0.00 6.94 7.57 0.00 0.00 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 S 8.18 4.77 0.00 3.82 3.90 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 0.00 0.00 0.00 36 T 7.68 4.20 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 0.77 0.00 0.00 37 E 9.14 4.79 0.00 1.78 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 38 Y 9.17 5.30 0.00 3.01 2.82 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 39 R 8.64 5.00 0.00 1.77 1.73 0.00 2.21 0.00 0.00 2.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.31 0.00 40 G 8.33 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 4.84 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 1.19 0.00 0.00 42 L 9.07 4.40 0.00 1.71 1.71 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.83 3.76 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 0.83 0.00 0.00 0.87 0.00 0.00 44 S 7.66 4.77 0.00 3.89 3.88 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 45 T 7.89 5.26 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 1.16 0.00 0.00 46 D 8.72 4.54 0.00 2.66 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 47 N 8.36 4.16 0.00 2.91 2.95 0.00 0.00 7.02 7.46 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 48 Y 8.05 3.90 0.00 3.54 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.38 3.97 0.00 3.17 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 50 N 7.80 5.03 0.00 2.83 2.86 0.00 0.00 6.50 6.62 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 51 L 9.32 5.28 0.00 1.65 1.71 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.81 4.37 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 53 L 8.32 5.02 0.00 1.69 1.37 0.91 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.00 5.46 0.00 2.82 2.70 0.00 0.00 7.24 7.20 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 55 E 8.10 4.04 0.00 2.13 1.97 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 2.27 2.24 0.00 56 A 7.75 4.55 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 57 E 9.62 5.04 0.00 2.14 2.22 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 2.26 2.25 0.00 58 E 9.28 4.92 0.00 2.33 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 2.25 2.28 0.00 59 F 9.38 5.08 0.00 3.13 2.90 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 0.00 0.00 0.00 60 V 8.58 4.38 1.69 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 0.88 0.00 0.00 0.70 0.00 0.00 61 A 9.12 3.83 1.39 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 0.00 0.00 0.00 62 G 8.58 4.01 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 0.00 0.00 0.00 63 V 7.83 4.42 2.24 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 1.02 0.00 0.00 1.03 0.00 0.00 64 S 8.43 3.90 0.00 3.40 3.54 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 65 H 8.74 4.72 0.00 3.04 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.53 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.25 4.93 4.25 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 1.28 0.00 0.00 68 L 8.60 4.79 0.00 1.46 1.54 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.46 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 4.90 0.00 1.99 1.92 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 2.38 2.28 0.00 71 I 8.38 4.82 1.76 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.79 0.80 0.00 0.00 72 F 8.98 4.98 0.00 2.86 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 73 I 8.63 4.51 1.91 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 1.14 0.56 0.99 0.00 0.00 74 R 8.64 4.84 0.00 1.92 1.93 0.00 3.72 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 75 S 9.88 4.34 0.00 3.60 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 76 N 8.26 3.93 0.00 2.77 3.01 0.00 0.00 6.88 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.12 4.78 0.00 2.85 2.97 0.00 0.00 6.44 7.34 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 78 V 8.16 4.19 2.12 0.00 0.00 0.00 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 1.07 0.00 0.00 79 L 8.39 4.31 0.00 1.50 1.44 0.93 0.96 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 80 Y 6.83 4.91 0.00 3.05 3.05 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 0.00 0.00 0.00 81 I 8.86 5.40 2.04 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.00 1.03 0.00 0.00 82 R 9.30 4.79 0.00 1.80 2.04 0.00 2.79 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 83 E 8.59 4.97 0.00 1.95 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 2.23 2.31 0.00 84 L 9.49 4.23 0.00 1.48 1.55 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.07 0.00 2.15 2.15 0.00 3.75 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 1.97 1.97 0.00 86 N 7.77 4.32 0.00 2.88 2.85 0.00 0.00 6.13 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