NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 I 4.0104 8.0244 121.4533 60.7592 39.5434 175.7667 39 Q 3.1013 7.8760 117.8690 56.9172 27.0589 171.4841 40 D 4.8423 8.4651 116.3858 54.5700 42.4823 178.6911 41 I 2.9288 7.3620 122.6152 63.9205 36.8665 177.7294 42 E 4.1050 7.7800 118.0690 59.6713 29.9520 177.9690 43 L 3.9369 7.9589 117.9730 58.5994 41.3228 179.4100 44 L 4.4224 8.2016 119.0574 57.6185 41.5556 179.3819 45 M 4.0958 8.1922 118.2234 58.9587 31.7393 179.0202 46 R 3.9731 7.6174 116.0389 59.6073 30.3314 178.0524 47 N 4.6318 7.9872 117.1533 55.8204 38.4684 176.7305 48 T 2.7465 7.0744 116.2380 63.7689 67.4662 175.5032 49 E 3.8836 7.5091 121.1856 59.5144 29.6370 178.1213 50 I 3.7394 7.8322 119.8414 64.4709 37.1381 178.2823 51 W 4.5105 8.6447 119.0607 60.0531 28.8633 177.6803 52 D 4.4304 7.8871 116.5639 57.8357 40.4660 178.4808 53 N 4.4919 7.9525 114.7034 55.6343 38.4732 176.1202 54 L 4.3844 7.4061 118.4801 54.9185 40.6988 176.8911 55 L 4.7606 7.0685 116.4432 54.2245 45.6311 179.5512 56 N 4.3742 7.0221 123.6935 52.5265 42.2097 177.0006 57 G 4.3788 8.4585 97.4396 44.7558 0.0000 173.5971 58 K 4.4153 7.7074 116.3256 55.8746 36.5029 176.6282 59 I 4.4385 8.8436 129.5364 63.0184 35.9056 175.9781 60 T 4.2661 7.5092 114.0342 64.1215 66.9667 175.3682 61 L 3.9204 8.0371 120.8515 58.2206 41.7331 178.6473 62 E 3.9328 8.2750 117.4393 60.0626 29.7873 179.5564 63 E 4.0262 8.1068 117.8077 58.6691 29.7112 178.3045 64 A 4.2659 8.4794 119.3731 52.6084 19.3140 179.3086 65 K 4.0265 8.7015 118.2551 59.3936 32.3054 179.2751 66 K 4.1027 8.1628 120.2509 58.9349 30.8535 177.2184 67 L 4.6031 7.4347 115.8628 54.6105 43.1049 177.7711 68 F 4.6107 7.9975 119.4156 60.0085 39.6814 176.9304 69 E 4.1308 8.9545 118.9965 60.0000 29.1169 179.1922 70 D 4.3719 7.6951 118.7043 57.1931 40.6196 179.3593 71 N 5.3034 7.2511 114.6970 55.8887 38.5955 176.4689 72 Y 4.3050 7.7204 120.0727 60.5968 38.8585 177.6400 73 K 4.4099 7.5384 115.3502 56.9044 31.8541 177.4465 74 E 4.4248 8.1552 120.8528 57.4486 31.5949 176.1111 75 Y 4.6678 7.8323 116.3789 58.4093 37.9182 175.4947 76 E 4.5433 7.7329 115.4042 54.4009 31.5939 174.3689 77 K 4.2197 8.2639 122.2204 56.4507 32.8870 174.9410 78 R 4.7853 8.1143 121.9176 54.5434 34.2475 175.7578 79 D 4.8798 8.2191 121.3406 54.1406 42.7931 175.4816 80 S 4.5307 8.3534 121.9496 59.6049 63.2008 175.8233 81 R 4.6059 7.9055 111.5677 53.7508 29.7565 176.1618 82 R 4.1151 7.5445 122.2661 57.3963 30.2161 173.3438 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 38 I 8.02 4.01 1.93 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 1.33 1.09 0.99 0.00 0.00 39 Q 7.88 3.10 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.32 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 40 D 8.47 4.84 0.00 2.96 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 41 I 7.36 2.93 1.60 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.05 0.60 0.00 0.00 42 E 7.78 4.11 0.00 1.87 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 2.25 2.39 0.00 43 L 7.96 3.94 0.00 1.87 1.69 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.20 4.42 0.00 1.82 1.73 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.19 4.10 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 46 R 7.62 3.97 0.00 1.94 2.04 0.00 3.22 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 47 N 7.99 4.63 0.00 2.60 2.97 0.00 0.00 6.47 6.81 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 48 T 7.07 2.75 3.33 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 1.01 0.00 0.00 49 E 7.51 3.88 0.00 1.40 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.47 0.00 50 I 7.83 3.74 2.22 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 1.01 0.00 0.00 51 W 8.64 4.51 0.00 3.29 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 52 D 7.89 4.43 0.00 2.74 2.85 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 0.00 0.00 0.00 53 N 7.95 4.49 0.00 2.77 2.87 0.00 0.00 7.19 7.88 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 54 L 7.41 4.38 0.00 1.79 1.68 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.07 4.76 0.00 1.77 1.50 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.02 4.37 0.00 2.75 2.42 0.00 0.00 5.81 7.00 0.00 0.00 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 G 8.46 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.71 4.42 0.00 1.70 1.68 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.40 7.81 59 I 8.84 4.44 1.88 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 1.29 2.39 0.98 0.00 0.00 60 T 7.51 4.27 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 1.29 0.00 0.00 61 L 8.04 3.92 0.00 1.73 1.70 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.27 3.93 0.00 2.12 2.04 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 2.42 2.44 0.00 63 E 8.11 4.03 0.00 2.17 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 2.34 2.58 0.00 64 A 8.48 4.27 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 65 K 8.70 4.03 0.00 2.02 1.91 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.74 1.48 7.81 66 K 8.16 4.10 0.00 1.87 2.09 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.54 7.81 67 L 7.43 4.60 0.00 1.94 1.65 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.00 4.61 0.00 3.05 3.21 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 69 E 8.95 4.13 0.00 2.19 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 2.35 2.41 0.00 70 D 7.70 4.37 0.00 2.81 2.65 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 0.00 0.00 0.00 0.00 71 N 7.25 5.30 0.00 2.67 2.80 0.00 0.00 6.89 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 72 Y 7.72 4.31 0.00 2.82 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 73 K 7.54 4.41 0.00 1.86 1.78 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.74 1.52 7.81 74 E 8.16 4.42 0.00 2.00 1.54 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 2.16 2.34 0.00 75 Y 7.83 4.67 0.00 2.99 2.96 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 0.00 0.00 0.00 76 E 7.73 4.54 0.00 2.03 2.03 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 2.17 2.21 0.00 77 K 8.26 4.22 0.00 1.94 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.39 7.81 78 R 8.11 4.79 0.00 1.77 1.75 0.00 3.22 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 79 D 8.22 4.88 0.00 2.65 2.57 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 0.00 0.00 0.00 0.00 80 S 8.35 4.53 0.00 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.61 0.00 1.76 1.80 0.00 3.35 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 82 R 7.54 4.12 0.00 1.74 1.71 0.00 3.37 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00