NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2734 8.2649 123.5779 51.6936 19.9704 175.7858 2 S 4.1228 8.2720 115.6508 57.7556 63.4308 173.0188 3 N 4.4602 8.7180 123.9414 55.7465 39.4093 174.4045 4 F 4.9395 7.2591 108.9210 54.8492 41.1838 173.3878 5 D 4.4832 8.5443 118.9222 51.9570 42.2053 173.7064 6 C 4.8619 8.7368 120.6491 54.4293 42.0092 174.2496 7 C 4.0506 8.6017 120.2235 57.4338 43.1097 173.7787 8 L 3.7656 8.4666 126.7975 55.6069 41.8169 176.8344 9 G 4.0073 7.5890 106.9168 43.7075 0.0000 172.4229 10 Y 4.4825 8.6038 125.2560 57.0823 39.9054 174.1985 11 T 4.8163 8.1684 113.9180 61.1329 70.6162 174.4457 12 D 4.8799 8.3573 121.8995 52.0853 40.8822 173.4284 13 R 4.6308 7.9963 120.7286 54.1757 34.5700 175.8507 14 I 2.4802 7.2996 118.8360 58.9776 36.7868 175.7242 15 L 3.8793 5.6200 123.2623 54.2080 42.8598 175.5591 16 H 5.2652 8.3190 116.3182 53.2988 32.8749 172.8048 17 P 4.2700 0.0000 0.0000 65.5538 31.2196 179.0017 18 K 3.7390 8.3055 116.7720 58.8804 32.0677 177.1542 19 F 4.7580 8.5047 113.9506 56.7299 40.5085 174.1597 20 I 4.9679 7.4961 122.2441 59.8051 38.4179 175.8667 21 V 4.4365 8.7811 116.8373 60.9104 33.4780 175.3068 22 G 4.3728 7.7544 105.9555 45.4406 0.0000 171.7265 23 F 5.6779 8.3649 120.9988 57.4508 42.8003 173.4422 24 T 4.1104 8.8693 122.5423 61.5379 72.1244 172.9706 25 R 4.4368 7.8929 123.3244 54.9960 31.5866 175.7342 26 Q 4.9617 8.5254 120.6923 54.3558 31.5892 175.0967 27 L 4.9205 9.8966 124.7979 52.8834 44.2245 176.1282 28 A 5.2314 8.6068 120.6755 51.5487 18.7258 177.6281 29 N 4.9760 7.8676 111.7181 53.3908 39.0502 174.5587 30 E 4.3473 7.9180 116.4266 57.0184 31.1185 176.2762 31 G 3.6585 7.3220 115.6073 46.3223 0.0000 174.3754 32 C 4.2881 6.7232 120.8447 55.8540 44.2657 173.3498 33 D 4.1908 8.4386 122.7569 55.0712 41.3223 175.3183 34 I 4.8184 7.4324 111.1678 58.8246 40.8514 174.0727 35 N 5.3230 8.7410 118.1115 51.2031 39.7487 173.8550 36 A 4.8605 8.6455 123.4830 50.2612 23.2027 174.8329 37 I 4.0149 8.4491 123.7559 60.8873 38.7293 175.3282 38 I 4.6316 8.6657 129.1789 59.9243 38.1849 174.5565 39 F 5.3674 8.5547 127.1983 57.0715 40.5113 174.9312 40 H 5.3009 9.9166 122.8829 54.7386 29.8373 175.3854 41 T 4.8115 8.8130 114.7133 61.0913 70.2115 175.4844 42 K 4.1975 9.1626 122.4609 57.5831 31.9588 177.3245 43 K 4.4309 7.9210 115.1367 56.3309 32.3235 176.4412 44 K 3.9941 8.1274 116.5237 56.9940 30.1577 175.1009 45 L 4.9029 7.7344 119.3096 52.8125 44.4596 175.8302 46 S 4.7520 8.6189 118.5207 57.7011 64.1838 173.5875 47 V 3.9945 9.0421 126.4661 62.1769 33.0504 174.9392 48 C 4.8825 8.8121 126.1668 55.8998 35.7932 171.4052 49 A 4.6598 9.1604 125.1146 51.5329 19.7187 176.6441 50 N 4.8340 8.8240 120.0645 52.1997 39.2109 174.4201 51 P 4.4738 0.0000 0.0000 63.7993 31.4877 177.3288 52 K 4.1333 7.7291 118.1698 57.6931 32.8203 177.3818 53 Q 4.6941 7.4617 117.5006 54.6997 31.7561 176.8534 54 T 4.0015 8.4266 113.1717 64.5930 69.0798 176.9263 55 W 4.4581 8.3393 119.2867 59.3449 28.1005 178.4920 56 V 3.1944 6.5468 118.5325 65.6108 31.0350 177.9027 57 K 3.9350 7.8418 118.2716 59.5507 31.9418 178.6514 58 Y 4.1765 8.7285 119.9448 60.9699 38.7466 178.2217 59 I 3.1614 7.7184 120.9046 64.1080 37.2721 178.9087 60 V 3.2841 8.2846 120.2529 64.3382 30.9480 178.8014 61 R 3.8626 7.4975 118.4400 59.2387 30.3026 178.6147 62 L 4.0451 7.4956 118.2682 57.6118 41.3616 179.3922 63 L 3.9896 7.8412 117.9507 56.7315 41.5712 178.5826 64 S 4.5719 7.4532 112.9267 58.3313 63.9133 174.2293 65 K 4.6758 7.4598 121.0990 55.7397 32.5135 178.6764 66 K 4.3099 7.8123 118.6762 55.8037 30.3656 176.2857 67 V 3.9671 7.4887 120.4261 60.3277 32.8574 177.9315 68 K 4.1954 8.4000 125.4060 55.8729 30.6589 175.0834 69 N 4.5881 8.4676 122.2949 54.4197 40.0514 174.5512 70 M 4.3075 7.8009 120.5762 55.5537 32.6083 174.6727 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 A 8.26 4.27 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 2 S 8.27 4.12 0.00 3.86 3.77 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 0.00 0.00 0.00 3 N 8.72 4.46 0.00 2.80 3.03 0.00 0.00 6.94 7.48 0.00 0.00 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 F 7.26 4.94 0.00 3.08 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 5 D 8.54 4.48 0.00 2.53 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.74 4.86 0.00 3.15 3.29 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 7 C 8.60 4.05 0.00 2.82 2.81 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 0.00 0.00 0.00 8 L 8.47 3.77 0.00 1.63 1.68 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.59 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 10 Y 8.60 4.48 0.00 2.92 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 11 T 8.17 4.82 4.36 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 1.55 0.00 0.00 12 D 8.36 4.88 0.00 2.66 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 13 R 8.00 4.63 0.00 1.64 1.50 0.00 3.13 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 14 I 7.30 2.48 1.57 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.77 0.00 0.00 15 L 5.62 3.88 0.00 1.74 1.63 0.52 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.32 5.27 0.00 3.36 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.27 0.00 2.17 2.05 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 18 K 8.31 3.74 0.00 1.85 1.41 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.59 7.81 19 F 8.50 4.76 0.00 3.08 3.02 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 0.00 0.00 0.00 20 I 7.50 4.97 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.60 1.01 0.00 0.00 21 V 8.78 4.44 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 0.80 0.00 0.00 1.03 0.00 0.00 22 G 7.75 4.37 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 0.00 23 F 8.36 5.68 0.00 3.33 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 24 T 8.87 4.11 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 0.91 0.00 0.00 25 R 7.89 4.44 0.00 1.81 1.85 0.00 3.03 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 26 Q 8.53 4.96 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.19 0.00 27 L 9.90 4.92 0.00 1.58 1.59 0.99 0.05 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 28 A 8.61 5.23 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 29 N 7.87 4.98 0.00 2.73 2.83 0.00 0.00 6.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.92 4.35 0.00 2.11 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 0.00 2.34 2.09 0.00 31 G 7.32 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 6.72 4.29 0.00 2.81 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 33 D 8.44 4.19 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.43 4.82 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.94 0.00 0.00 35 N 8.74 5.32 0.00 2.80 2.82 0.00 0.00 5.67 7.29 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 36 A 8.65 4.86 0.94 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 0.00 0.00 37 I 8.45 4.01 1.44 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 1.16 0.67 0.29 0.00 0.00 38 I 8.67 4.63 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.05 0.67 0.00 0.00 39 F 8.55 5.37 0.00 3.20 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 40 H 9.92 5.30 0.00 3.22 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.81 4.81 4.37 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 1.32 0.00 0.00 42 K 9.16 4.20 0.00 1.75 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.42 7.81 43 K 7.92 4.43 0.00 1.81 1.83 0.00 1.93 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.55 7.81 44 K 8.13 3.99 0.00 1.96 1.96 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 45 L 7.73 4.90 0.00 1.63 1.56 0.94 0.83 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 46 S 8.62 4.75 0.00 3.76 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 47 V 9.04 3.99 2.46 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 1.28 0.00 0.00 1.05 0.00 0.00 48 C 8.81 4.88 0.00 2.96 2.83 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 49 A 9.16 4.66 0.99 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 0.00 0.00 0.00 0.00 0.00 50 N 8.82 4.83 0.00 2.75 2.55 0.00 0.00 7.45 8.49 0.00 0.00 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 P 0.00 4.47 0.00 2.02 2.09 0.00 3.59 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.15 0.00 52 K 7.73 4.13 0.00 1.65 1.79 0.00 1.44 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.22 7.81 53 Q 7.46 4.69 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.35 0.00 0.00 0.00 0.00 0.00 2.29 1.88 0.00 54 T 8.43 4.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 55 W 8.34 4.46 0.00 3.80 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 6.55 3.19 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 0.94 0.00 0.00 -0.18 0.00 0.00 57 K 7.84 3.93 0.00 2.04 1.87 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.69 7.81 58 Y 8.73 4.18 0.00 2.99 3.30 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 59 I 7.72 3.16 1.50 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 1.33 0.83 0.30 0.00 0.00 60 V 8.28 3.28 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 0.84 0.00 0.00 0.84 0.00 0.00 61 R 7.50 3.86 0.00 1.98 2.02 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 62 L 7.50 4.05 0.00 1.56 1.54 0.61 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.84 3.99 0.00 0.88 1.06 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.45 4.57 0.00 4.03 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 65 K 7.46 4.68 0.00 1.84 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.34 7.81 66 K 7.81 4.31 0.00 1.74 1.77 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.40 7.81 67 V 7.49 3.97 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 0.74 0.00 0.00 0.93 0.00 0.00 68 K 8.40 4.20 0.00 1.72 1.79 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.48 7.81 69 N 8.47 4.59 0.00 2.69 2.81 0.00 0.00 6.97 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 70 M 7.80 4.31 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00