NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6726 8.2833 119.1997 53.7475 41.1814 176.3757 7 I 3.4614 7.7038 118.6196 62.7118 37.0299 176.9305 8 Q 3.8832 8.7328 119.3387 59.2582 28.8851 177.6779 9 D 4.1534 7.8940 120.3781 56.9389 41.0250 178.4815 10 K 3.8104 8.2117 120.1524 59.2247 32.0818 178.8582 11 A 3.4420 7.6095 121.0816 54.8945 18.1746 179.6566 12 L 3.4156 7.5326 118.0851 57.4723 41.4374 179.5515 13 E 4.2071 8.0310 119.2768 58.8550 29.4466 178.8241 14 N 4.2017 7.7774 117.6799 56.4225 39.0405 176.8630 15 F 4.5816 7.8360 120.8558 59.9099 38.9736 177.6633 16 K 4.2560 8.6952 120.4066 59.0967 31.9126 178.6726 17 A 4.0597 8.5026 119.9816 54.9259 18.4143 178.4424 18 N 4.6371 8.2345 111.5381 52.2390 39.3613 175.0061 19 Q 3.5242 7.8714 118.0620 56.9727 27.3292 174.2209 20 T 4.0412 7.8060 113.4363 63.6263 70.0295 174.2344 21 E 4.2676 8.7140 126.7683 55.9541 30.1777 175.5552 22 V 4.2896 8.8667 128.1891 61.3424 34.3005 174.3956 23 T 4.7548 8.7834 124.9265 62.0910 70.2837 173.6583 24 V 4.3345 8.7823 128.0618 61.6558 33.2587 174.5517 25 F 4.9584 9.0220 127.0974 56.0714 41.2524 175.5462 26 F 4.9545 9.1238 121.7884 55.7052 40.9997 176.9982 27 L 3.9513 8.8550 120.7150 57.8865 41.4060 178.4220 28 N 4.4959 8.1262 113.1881 52.6205 37.5303 175.8744 29 G 4.1659 8.4102 108.7595 45.4253 0.0000 174.1279 30 F 4.9265 8.3944 118.8213 57.8811 40.1647 174.2149 31 Q 4.8620 8.4046 117.2590 54.9471 32.0042 174.1151 32 M 4.6679 8.8722 120.1957 54.1297 35.9475 173.1908 33 K 4.8083 8.4340 127.6132 55.2774 34.1487 175.6145 34 G 4.1020 8.4292 113.4082 46.1036 0.0000 171.1913 35 V 4.9297 8.1309 119.9410 60.9908 34.1980 176.1567 36 I 4.5154 8.4156 128.5929 61.5124 37.4212 176.0753 37 E 4.4931 9.3518 127.6792 57.8168 30.8829 176.4658 38 E 4.7360 8.0139 116.5831 55.8202 33.7554 173.2995 39 Y 5.2450 7.4689 117.3074 56.5136 40.7324 173.7284 40 D 4.6426 8.7297 119.5831 52.5131 41.6971 174.7950 41 K 3.9479 8.6915 118.3111 59.2094 32.4282 177.9991 42 Y 4.9055 8.7341 115.5105 58.0527 40.1752 175.3207 43 V 5.1673 7.9315 111.1611 59.6235 36.9575 174.3436 44 V 4.8448 8.8099 121.3187 61.3393 34.9754 174.0746 45 S 5.1233 9.5544 123.1425 56.9062 63.9559 172.2041 46 L 5.1852 9.1063 130.3691 53.2643 44.7218 174.3822 47 N 5.2633 9.4460 125.9938 52.5659 40.4898 173.5803 48 S 4.7079 9.0131 121.2502 57.0878 65.9577 173.9355 49 Q 3.5077 9.8127 126.3972 57.1130 26.1081 174.9486 50 G 3.9515 7.6868 103.6770 45.6815 0.0000 173.9223 51 K 4.5569 7.8065 119.5635 54.4174 34.3181 174.9683 52 Q 4.7965 8.3181 123.5327 55.7281 30.5381 174.5377 53 H 4.8123 9.1246 122.1616 53.9922 32.5257 172.1466 54 L 4.9009 8.7061 126.2763 53.9528 42.8124 175.3211 55 I 4.6208 8.6603 128.3354 59.5492 39.9656 175.1013 56 Y 4.6589 8.5034 124.5464 57.4249 38.7225 176.9254 57 K 3.9985 9.2679 125.1028 59.6952 32.3775 178.8783 58 H 4.2734 8.4197 112.7508 57.5741 28.5655 175.5813 59 A 4.6595 8.3520 122.5711 51.9496 19.5318 176.0521 60 I 4.3735 7.5550 118.0328 60.1589 38.5165 175.6037 61 S 4.5832 8.8349 120.0756 60.4030 64.2036 174.5970 62 T 4.6851 7.4725 115.2878 61.7888 73.1587 172.0901 63 Y 5.1900 8.6605 121.8015 56.4949 40.1978 175.2447 64 T 4.8303 9.1087 114.5410 60.0728 71.9425 173.4633 65 V 4.6188 8.0157 116.0989 60.6107 36.4437 175.0011 66 E 4.0586 8.7696 121.3108 56.7607 30.2119 174.0133 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 6 N 8.28 4.67 0.00 2.75 2.85 0.00 0.00 7.08 6.88 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 7 I 7.70 3.46 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.62 0.86 0.00 0.00 8 Q 8.73 3.88 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 9 D 7.89 4.15 0.00 2.80 2.77 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 10 K 8.21 3.81 0.00 1.98 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 11 A 7.61 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.53 3.42 0.00 0.93 0.16 0.51 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.03 4.21 0.00 2.24 2.38 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 2.38 2.12 0.00 14 N 7.78 4.20 0.00 2.73 2.69 0.00 0.00 7.20 7.30 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 15 F 7.84 4.58 0.00 3.10 2.89 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 16 K 8.70 4.26 0.00 2.05 2.19 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.41 7.81 17 A 8.50 4.06 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 18 N 8.23 4.64 0.00 2.87 2.90 0.00 0.00 7.15 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 19 Q 7.87 3.52 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 20 T 7.81 4.04 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 1.16 0.00 0.00 21 E 8.71 4.27 0.00 1.94 1.84 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 2.26 2.33 0.00 22 V 8.87 4.29 1.91 0.00 0.00 0.00 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 0.16 0.00 0.00 23 T 8.78 4.75 4.32 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 0.90 0.00 0.00 24 V 8.78 4.33 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 0.30 0.00 0.00 0.90 0.00 0.00 25 F 9.02 4.96 0.00 2.89 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 26 F 9.12 4.95 0.00 3.07 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 27 L 8.85 3.95 0.00 1.65 1.76 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.13 4.50 0.00 2.47 2.66 0.00 0.00 6.22 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 29 G 8.41 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.39 4.93 0.00 2.95 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 31 Q 8.40 4.86 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.68 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 32 M 8.87 4.67 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 33 K 8.43 4.81 0.00 1.73 1.63 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 34 G 8.43 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 35 V 8.13 4.93 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 0.80 0.00 0.00 0.99 0.00 0.00 36 I 8.42 4.52 1.98 0.00 0.00 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 1.43 0.99 1.07 0.00 0.00 37 E 9.35 4.49 0.00 1.83 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 2.47 0.00 38 E 8.01 4.74 0.00 1.96 1.73 0.00 0.00 0.00 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 2.22 0.00 39 Y 7.47 5.25 0.00 3.28 3.06 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 0.00 40 D 8.73 4.64 0.00 2.70 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 41 K 8.69 3.95 0.00 1.46 1.33 0.00 1.28 0.00 0.00 1.13 0.00 0.00 2.64 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 1.00 7.81 42 Y 8.73 4.91 0.00 3.14 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 43 V 7.93 5.17 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 0.59 0.00 0.00 1.05 0.00 0.00 44 V 8.81 4.84 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 1.14 0.00 0.00 1.12 0.00 0.00 45 S 9.55 5.12 0.00 3.92 3.95 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 46 L 9.11 5.19 0.00 1.80 1.55 0.96 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.45 5.26 0.00 2.89 2.70 0.00 0.00 6.17 7.50 0.00 0.00 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 S 9.01 4.71 0.00 3.88 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.81 3.51 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 50 G 7.69 3.95 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 51 K 7.81 4.56 0.00 1.94 1.60 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.49 7.81 52 Q 8.32 4.80 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 53 H 9.12 4.81 0.00 3.13 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.71 4.90 0.00 1.60 1.52 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.66 4.62 1.93 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 1.49 0.88 1.02 0.00 0.00 56 Y 8.50 4.66 0.00 2.88 2.43 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 57 K 9.27 4.00 0.00 1.95 1.98 0.00 1.96 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.64 1.54 7.81 58 H 8.42 4.27 0.00 3.23 3.50 0.00 5.52 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 59 A 8.35 4.66 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 4.37 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.67 0.32 0.00 0.00 61 S 8.83 4.58 0.00 3.80 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 62 T 7.47 4.69 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 1.21 0.00 0.00 63 Y 8.66 5.19 0.00 2.97 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 64 T 9.11 4.83 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 1.26 0.00 0.00 65 V 8.02 4.62 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 0.24 0.00 0.00 1.04 0.00 0.00 66 E 8.77 4.06 0.00 2.14 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 2.17 2.30 0.00