NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2006 8.3031 121.7906 55.2777 33.1030 173.6874 4 G 3.4953 7.6588 112.5333 45.0489 0.0000 172.1619 5 H 4.7051 8.0627 118.1879 56.9447 32.0253 174.6219 6 S 4.2075 8.2477 114.9121 60.4492 62.8466 175.1233 7 L 4.4106 7.6281 122.3788 56.8826 42.8958 177.6389 8 Q 3.8673 7.8874 118.8524 59.3722 28.9539 178.1073 9 D 4.2211 7.9995 119.6043 56.9996 40.9274 176.8449 10 P 4.3286 0.0000 0.0000 65.7479 31.2656 178.0818 11 Y 3.9126 7.9881 118.1267 60.7087 38.7603 177.9352 12 L 3.7606 8.0403 120.1479 57.6404 41.5418 178.9751 13 N 4.5034 8.6811 117.3117 57.0690 38.9000 177.0219 14 T 3.8032 8.0506 117.1667 66.6785 68.6447 176.6011 15 L 3.8826 7.6626 120.8489 57.6262 41.5465 179.6167 16 R 4.2387 7.9728 120.0593 58.9487 29.9669 178.4489 17 K 3.8491 8.4792 117.4903 59.4053 32.2102 177.7553 18 E 4.4164 8.1702 115.1089 55.1835 29.4481 175.9908 19 R 3.7149 7.7404 116.5635 56.8652 28.4336 176.6677 20 V 3.7877 7.3630 116.4840 62.1726 32.3953 173.9753 21 P 4.6203 0.0000 0.0000 62.8023 32.5257 175.7466 22 V 4.8935 8.9900 117.5319 59.6518 35.9933 174.5148 23 S 5.0827 9.0677 119.0367 57.0089 65.3276 173.3407 24 I 4.8472 8.4978 125.9314 59.8172 39.4445 174.2309 25 Y 4.8008 8.8928 126.3419 57.0424 39.1359 175.8176 26 L 4.9326 9.3516 125.2871 53.8394 43.1262 178.6424 27 V 3.7144 9.2704 121.8161 63.8202 31.4226 176.6653 28 N 4.6603 8.1813 116.8853 52.6336 37.5048 175.7492 29 G 4.0655 8.4084 108.5647 45.2558 0.0000 174.2986 30 I 4.0209 7.8645 120.9397 61.0432 38.4921 174.8179 31 K 4.5361 8.5136 126.7691 54.6554 33.8896 175.2383 32 L 4.7760 8.7201 127.4811 53.4817 44.6330 175.4516 33 Q 4.8567 8.7867 118.2460 53.6003 32.7614 176.6377 34 G 3.9527 7.0994 108.0512 46.3530 0.0000 170.7878 35 Q 4.8768 7.9275 120.2265 53.8103 32.6654 175.5575 36 I 4.0425 8.3127 123.4351 61.7721 37.0960 176.1495 37 E 4.0505 9.0550 129.8236 58.9403 30.3502 176.1079 38 S 4.7889 7.8067 111.6919 58.0819 66.0255 173.2505 39 F 5.2031 7.8783 115.5144 56.1129 40.0177 173.3617 40 D 4.7915 8.5848 121.2847 52.1682 41.5441 174.6836 41 Q 3.9709 8.9133 118.0335 58.9512 29.2128 178.1468 42 F 4.9146 9.0264 115.6272 57.5681 41.2220 175.2082 43 V 5.0229 7.8519 111.8133 59.5348 36.5457 174.4236 44 I 4.9713 8.8726 122.1951 59.5573 40.9956 174.6120 45 L 4.7528 9.1718 129.5984 53.9558 43.4351 174.8155 46 L 5.0041 8.8376 130.1042 53.3940 44.0152 174.7665 47 K 4.7456 8.8030 128.5844 54.6684 33.7313 175.0333 48 N 5.2235 7.9610 125.7019 52.7283 41.6848 172.7994 49 T 3.9796 9.0815 113.9817 66.4739 68.5372 174.6413 50 V 4.3392 7.5718 114.6716 59.4213 33.5781 175.2602 51 S 5.0305 8.4481 121.2160 58.6834 64.4192 173.1563 52 Q 4.7188 8.7210 118.7637 55.4684 32.1272 172.6117 53 M 4.7207 8.5838 121.3513 54.5719 33.6789 175.0385 54 V 4.4516 8.8444 126.4825 61.1067 34.3577 174.4118 55 Y 4.5449 8.6840 125.8285 57.5286 38.5838 176.7930 56 K 3.9592 9.3398 125.1966 59.5378 32.3739 179.0520 57 A 4.0308 8.2886 119.8011 54.1778 18.5517 177.5189 58 A 4.5719 8.2055 117.8763 51.9298 19.5935 176.3146 59 I 4.6212 7.7297 118.5100 60.3129 38.5430 175.6934 60 S 4.5758 8.9358 120.5148 60.5512 64.1032 174.3474 61 T 4.7067 7.7525 113.7160 60.0192 71.0833 172.0864 62 V 4.8469 8.4226 125.9832 61.1994 33.9008 174.8712 63 V 4.4287 9.1693 128.9592 60.4118 31.9743 173.1011 64 P 4.8060 0.0000 0.0000 62.4455 32.0503 177.9259 65 S 4.4388 8.9147 117.8840 60.6865 63.4574 174.1314 66 R 4.6535 7.5154 114.6211 53.6297 32.3197 172.7350 67 P 4.1458 0.0000 0.0000 63.2941 31.6935 176.0797 68 V 4.2766 8.2405 121.3265 60.8346 33.7381 174.5646 69 R 4.4828 8.4421 123.9779 54.4680 30.7420 176.1692 70 L 4.2012 8.3529 122.8405 53.6784 42.5000 175.2343 71 P 4.4272 0.0000 0.0000 62.9414 31.2202 176.3212 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 K 8.30 4.20 0.00 1.74 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.45 7.81 4 G 7.66 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.06 4.71 0.00 3.21 3.30 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.25 4.21 0.00 4.07 4.02 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 7 L 7.63 4.41 0.00 1.74 1.62 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.89 3.87 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 9 D 8.00 4.22 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.20 2.14 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.18 0.00 11 Y 7.99 3.91 0.00 3.17 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 12 L 8.04 3.76 0.00 0.73 0.61 0.21 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.68 4.50 0.00 3.19 2.88 0.00 0.00 7.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.05 3.80 4.22 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 1.12 0.00 0.00 15 L 7.66 3.88 0.00 1.72 1.60 0.73 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.97 4.24 0.00 2.09 2.18 0.00 3.33 0.00 0.00 3.42 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 17 K 8.48 3.85 0.00 1.78 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.61 7.81 18 E 8.17 4.42 0.00 2.06 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 2.26 2.24 0.00 19 R 7.74 3.71 0.00 1.89 1.95 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 20 V 7.36 3.79 2.01 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.62 0.00 2.10 1.95 0.00 3.57 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 22 V 8.99 4.89 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 0.88 0.00 0.00 0.94 0.00 0.00 23 S 9.07 5.08 0.00 3.79 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.50 4.85 1.84 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 1.25 0.72 0.93 0.00 0.00 25 Y 8.89 4.80 0.00 2.97 2.91 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 0.00 0.00 0.00 0.00 26 L 9.35 4.93 0.00 1.79 1.62 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.27 3.71 2.19 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 0.76 0.00 0.00 0.95 0.00 0.00 28 N 8.18 4.66 0.00 2.84 2.97 0.00 0.00 6.36 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 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.86 4.02 1.98 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 1.12 0.90 0.90 0.00 0.00 31 K 8.51 4.54 0.00 1.42 1.51 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.96 0.33 7.81 32 L 8.72 4.78 0.00 1.53 1.50 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.79 4.86 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 34 G 7.10 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 35 Q 7.93 4.88 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 36 I 8.31 4.04 1.87 0.00 0.00 0.79 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 1.19 0.99 0.00 0.00 37 E 9.05 4.05 0.00 2.14 1.98 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 2.32 2.40 0.00 38 S 7.81 4.79 0.00 3.88 3.64 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 39 F 7.88 5.20 0.00 3.25 2.93 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 0.00 0.00 0.00 40 D 8.58 4.79 0.00 2.72 2.63 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 0.00 0.00 0.00 41 Q 8.91 3.97 0.00 1.84 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.92 0.00 0.00 0.00 0.00 0.00 1.16 2.00 0.00 42 F 9.03 4.91 0.00 3.15 3.15 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 0.00 0.00 0.00 0.00 43 V 7.85 5.02 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 0.18 0.00 0.00 0.91 0.00 0.00 44 I 8.87 4.97 1.89 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 1.16 0.89 0.98 0.00 0.00 45 L 9.17 4.75 0.00 1.72 1.68 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.84 5.00 0.00 1.79 1.51 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.80 4.75 0.00 1.87 1.65 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.21 7.81 48 N 7.96 5.22 0.00 2.63 2.80 0.00 0.00 7.24 7.58 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 49 T 9.08 3.98 4.24 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 0.00 0.00 1.21 0.00 0.00 50 V 7.57 4.34 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 0.87 0.00 0.00 0.93 0.00 0.00 51 S 8.45 5.03 0.00 3.78 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 52 Q 8.72 4.72 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 53 M 8.58 4.72 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 54 V 8.84 4.45 2.09 0.00 0.00 0.00 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 0.94 0.00 0.00 55 Y 8.68 4.54 0.00 3.11 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 56 K 9.34 3.96 0.00 1.97 1.93 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.59 7.81 57 A 8.29 4.03 1.38 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 58 A 8.21 4.57 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.62 2.04 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 1.40 0.84 1.01 0.00 0.00 60 S 8.94 4.58 0.00 3.88 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 61 T 7.75 4.71 4.22 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 1.19 0.00 0.00 62 V 8.42 4.85 2.19 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 0.96 0.00 0.00 0.97 0.00 0.00 63 V 9.17 4.43 2.30 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 0.88 0.00 0.00 1.04 0.00 0.00 64 P 0.00 4.81 0.00 2.26 1.91 0.00 3.77 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 65 S 8.91 4.44 0.00 3.87 4.02 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 66 R 7.52 4.65 0.00 1.91 1.89 0.00 3.13 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 67 P 0.00 4.15 0.00 2.06 2.08 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 68 V 8.24 4.28 1.98 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 0.63 0.00 0.00 0.85 0.00 0.00 69 R 8.44 4.48 0.00 1.96 1.92 0.00 3.09 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 70 L 8.35 4.20 0.00 1.69 1.67 1.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.43 0.00 2.05 1.97 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00