NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1577 8.0093 121.4546 61.0609 38.5894 174.5207 4 K 4.2726 8.2768 122.2900 54.8813 34.0798 171.3235 5 V 4.2181 8.1101 120.9584 61.9963 34.9119 174.3276 6 R 4.6069 8.5063 126.9132 54.5063 32.7023 173.7854 7 E 4.8521 8.7734 124.0166 54.5841 32.1884 174.6245 8 N 4.5601 8.6192 119.9367 52.8000 40.5662 170.0794 9 E 3.4740 8.6432 133.5354 54.4976 29.6115 172.3598 10 P 4.0997 0.0000 0.0000 62.9634 29.9071 175.6405 11 F 4.7963 7.4102 117.6951 55.5995 39.5505 174.8129 12 D 4.4322 8.4308 121.3759 54.8502 37.1280 171.7400 13 V 4.3385 7.8275 116.5405 59.2684 33.8809 176.3779 14 A 4.0804 9.0041 128.4701 54.2007 18.6965 177.8343 15 L 3.5974 7.9836 113.8010 55.9050 39.4565 175.9787 16 R 4.1143 7.9166 114.6556 57.7142 29.9814 176.4976 17 R 3.7389 7.7206 117.7199 60.0344 29.8565 178.5722 18 F 4.8195 7.2235 118.1240 59.6603 38.7459 177.6639 19 K 4.2128 7.8745 118.0034 59.3735 32.4129 178.9689 20 R 3.9293 7.9865 116.9410 57.7080 30.2100 178.3981 21 S 4.3313 8.5362 113.0692 58.8574 62.2242 173.9168 22 C 4.8315 6.9251 119.9944 59.6476 37.9554 178.7915 23 E 4.5775 7.7270 128.7622 53.2580 29.6025 178.0263 24 K 3.6342 8.5147 128.8105 58.2916 32.0274 177.9827 25 A 4.2558 8.4412 120.3806 51.4355 18.7284 177.0057 26 G 4.1113 8.9510 101.6780 47.2104 0.0000 174.9705 27 V 3.6615 8.4373 116.5910 62.6374 32.6168 175.9315 28 L 4.4241 7.5536 119.1092 56.3687 43.8949 177.9191 29 A 3.9368 8.1105 119.7374 55.3688 18.1680 178.7933 30 E 3.8929 8.3491 117.5039 58.9661 29.8657 178.3761 31 V 3.8452 7.3047 114.7555 63.2377 32.0023 176.7646 32 R 4.0064 7.8151 118.1420 58.5763 30.0247 175.4800 33 R 4.6611 6.8904 115.6597 53.5613 33.3549 174.0052 34 R 3.8535 8.1699 116.2664 54.9154 30.5267 177.5940 35 E 3.7898 8.3312 118.5463 56.4888 29.8406 175.3595 36 F 4.8784 7.8559 115.4234 59.4389 40.9804 176.0858 37 Y 4.0624 7.7670 120.8810 59.1883 36.5420 170.4392 38 E 4.4989 8.0389 117.4503 57.8255 31.1751 177.5101 39 K 3.6944 8.1774 118.1744 58.9236 31.9634 177.2224 40 P 4.2396 0.0000 0.0000 66.1064 31.3937 178.3602 41 T 4.1190 7.2772 106.3880 62.4040 68.5145 174.2223 42 T 4.4201 7.4128 110.3343 60.8955 71.4511 175.3851 43 E 3.7833 8.6042 120.4875 59.0327 29.7740 179.3052 44 R 4.0136 8.4708 117.9311 58.7278 29.7995 178.1231 45 K 4.5369 7.9502 116.5367 56.5497 32.3162 178.0214 46 R 4.4707 7.5434 117.1826 56.1318 30.5993 177.8585 47 A 4.0444 7.6459 121.6838 54.8376 18.2735 180.0183 48 K 4.0912 8.0574 116.8025 59.8314 32.5380 178.8327 49 A 3.6231 7.5700 120.8679 54.0560 18.3365 178.2479 50 S 4.5103 7.7213 110.1143 59.2551 64.0107 175.6860 51 A 4.0316 8.1786 123.5620 54.8391 18.2118 179.6591 52 V 3.6936 8.4523 117.8782 64.4615 31.3106 176.2630 53 K 3.9896 7.5539 125.0235 57.0849 32.8619 174.1757 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 3 I 8.01 4.16 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.10 1.00 0.00 0.00 4 K 8.28 4.27 0.00 1.90 1.78 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.41 7.81 5 V 8.11 4.22 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 0.82 0.00 0.00 1.06 0.00 0.00 6 R 8.51 4.61 0.00 1.74 1.73 0.00 3.24 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 7 E 8.77 4.85 0.00 2.12 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 0.00 2.37 2.46 0.00 8 N 8.62 4.56 0.00 2.66 2.74 0.00 0.00 7.04 7.65 0.00 0.00 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 E 8.64 3.47 0.00 2.02 1.62 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 2.18 2.24 0.00 10 P 0.00 4.10 0.00 2.13 1.98 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 11 F 7.41 4.80 0.00 3.00 3.20 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 12 D 8.43 4.43 0.00 2.91 2.80 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 13 V 7.83 4.34 1.95 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 0.68 0.00 0.00 0.86 0.00 0.00 14 A 9.00 4.08 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 15 L 7.98 3.60 0.00 1.94 1.94 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.92 4.11 0.00 1.92 1.88 0.00 3.25 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 17 R 7.72 3.74 0.00 1.12 1.54 0.00 3.22 0.00 0.00 3.01 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 18 F 7.22 4.82 0.00 3.06 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 19 K 7.87 4.21 0.00 2.09 1.85 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.62 7.81 20 R 7.99 3.93 0.00 1.90 1.95 0.00 3.28 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 21 S 8.54 4.33 0.00 3.94 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 22 C 6.93 4.83 0.00 3.09 2.88 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 23 E 7.73 4.58 0.00 1.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 24 K 8.51 3.63 0.00 1.88 1.24 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.36 7.81 25 A 8.44 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.95 4.11 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 0.00 27 V 8.44 3.66 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 0.69 0.00 0.00 1.05 0.00 0.00 28 L 7.55 4.42 0.00 1.69 1.68 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.11 3.94 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.35 3.89 0.00 1.88 2.10 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 2.07 2.10 0.00 31 V 7.30 3.85 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 0.84 0.00 0.00 0.88 0.00 0.00 32 R 7.82 4.01 0.00 1.99 1.93 0.00 3.40 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 33 R 6.89 4.66 0.00 1.75 1.74 0.00 3.36 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 34 R 8.17 3.85 0.00 2.10 2.01 0.00 3.33 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 35 E 8.33 3.79 0.00 1.16 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 2.20 2.22 0.00 36 F 7.86 4.88 0.00 2.83 2.84 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 37 Y 7.77 4.06 0.00 3.21 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 38 E 8.04 4.50 0.00 2.11 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 2.29 2.42 0.00 39 K 8.18 3.69 0.00 1.26 0.93 0.00 1.56 0.00 0.00 1.83 0.00 0.00 3.27 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.99 1.30 7.81 40 P 0.00 4.24 0.00 2.32 2.44 0.00 3.72 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 41 T 7.28 4.12 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 1.23 0.00 0.00 42 T 7.41 4.42 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 1.26 0.00 0.00 43 E 8.60 3.78 0.00 1.91 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 2.07 2.34 0.00 44 R 8.47 4.01 0.00 2.08 1.98 0.00 3.27 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 45 K 7.95 4.54 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 46 R 7.54 4.47 0.00 1.96 1.90 0.00 3.22 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 47 A 7.65 4.04 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 48 K 8.06 4.09 0.00 1.99 2.08 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.50 7.81 49 A 7.57 3.62 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 50 S 7.72 4.51 0.00 3.86 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.18 4.03 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 52 V 8.45 3.69 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 0.76 0.00 0.00 0.93 0.00 0.00 53 K 7.55 3.99 0.00 1.61 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.43 7.81