NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5965 8.2893 120.5927 55.8750 33.6886 173.9718 2 Q 4.2718 7.9766 121.5139 55.3487 32.3873 171.2300 3 R 5.1565 8.3833 117.8492 55.1629 33.6256 177.0480 4 G 4.3422 8.7676 106.9118 45.8738 0.0000 171.5310 5 K 5.1265 8.6787 119.9743 54.0456 35.9154 176.2045 6 V 3.9144 8.6014 127.3212 63.6500 31.8780 176.3656 7 K 4.2413 9.4980 130.8310 58.7377 32.6802 176.5945 8 W 5.1625 7.6853 114.2183 55.9421 31.2537 172.9056 9 F 4.9734 8.9688 122.7664 57.0917 42.1683 173.0395 10 N 4.5893 9.0219 126.2806 52.3159 38.8089 175.0235 11 N 4.5548 8.9491 126.1943 56.7360 39.5312 176.0192 12 E 4.1442 8.2725 116.5420 59.1091 29.6684 178.0748 13 K 4.1635 8.5431 116.9287 56.5749 32.7654 177.1155 14 G 3.9253 9.3925 107.9439 45.8452 0.0000 172.2679 15 Y 4.6963 6.0542 115.1425 55.9088 41.7620 173.8701 16 G 3.2477 7.5176 104.5515 45.9291 0.0000 171.9968 17 F 4.9031 7.5362 117.9522 55.5441 43.3225 174.2560 18 I 4.6692 8.6627 123.8997 59.6881 39.0346 174.5907 19 E 4.8115 9.2345 126.4156 55.4260 31.8443 175.3031 20 V 4.7771 8.1738 122.5159 60.6431 34.2518 174.3346 21 E 4.1388 8.9349 129.2806 57.6617 29.8531 176.6742 22 G 3.9482 9.5886 113.7249 45.7381 0.0000 172.5394 23 G 4.1679 7.7011 106.9658 44.0635 0.0000 172.5813 24 S 4.5360 8.4379 114.5253 57.9798 63.6414 174.6621 25 D 4.7976 8.7129 122.4029 54.7047 41.8514 175.9245 26 V 4.4969 8.6191 121.0583 60.7474 34.5794 174.6890 27 F 3.8374 9.0031 130.6331 58.1441 40.8083 174.0208 28 V 4.2869 6.9464 124.3458 60.1342 34.4116 173.7139 29 H 4.9323 8.3761 125.0940 53.9713 31.7105 175.5163 30 F 4.2722 9.0606 120.2578 60.1517 37.6334 177.6484 31 T 3.6180 6.8896 109.5391 63.4541 68.7896 174.6157 32 A 4.2954 7.9332 124.5275 52.6990 19.4436 176.9927 33 I 4.2587 7.4136 118.0109 61.1472 37.5147 176.2063 34 Q 4.2467 8.6988 125.2448 55.2211 29.8195 174.8390 35 G 3.7759 8.5952 105.1248 45.0152 0.0000 172.7583 36 E 4.3765 8.2353 118.5201 54.9328 31.1975 176.7482 37 G 4.0530 8.5275 105.9798 45.0249 0.0000 173.3585 38 F 4.0401 8.4478 122.2135 57.8575 39.8006 175.6554 39 K 4.1144 7.5789 127.5942 56.2971 30.6790 175.7239 40 T 4.4812 7.6892 116.5789 61.0876 70.4323 172.4940 41 L 4.6021 7.1613 122.5004 53.1693 45.8097 175.5168 42 E 4.7106 8.5860 120.7034 54.2330 31.6100 175.6305 43 E 4.3786 8.6496 121.2022 58.3229 29.9670 178.0522 44 G 4.0051 9.0775 110.8209 45.4091 0.0000 173.8000 45 Q 4.0834 7.8490 122.4819 56.0266 30.2871 174.9558 46 E 4.6160 8.8192 127.6418 56.3570 31.0436 175.6431 47 V 5.1704 9.0186 119.2052 59.7288 36.6480 174.3582 48 S 5.4026 8.7878 117.3005 57.0701 66.0000 172.9446 49 F 5.4715 8.3226 114.6927 57.3087 41.4479 172.5797 50 E 4.9058 9.0836 119.4313 54.8845 32.4223 174.9532 51 I 5.1358 8.2734 121.7817 59.8378 39.8541 175.3731 52 V 4.6127 8.9824 118.8709 59.6349 36.2946 174.5312 53 Q 4.7964 8.7554 120.7004 54.7505 30.7070 175.3996 54 G 4.2770 8.3757 116.8138 43.8750 0.0000 172.8540 55 N 4.4021 8.6875 115.5881 55.1301 37.5586 175.7785 56 R 4.2082 7.7568 116.0108 55.6418 30.9244 175.4722 57 G 3.7895 7.7729 105.2914 43.0080 0.0000 171.0331 58 P 5.1311 0.0000 0.0000 63.2462 32.0110 175.6903 59 Q 4.8915 9.0759 119.0345 55.0714 32.3410 173.3647 60 A 4.8731 8.9116 122.4905 52.0032 19.3263 176.8893 61 A 4.5656 8.9941 121.3735 50.0176 23.0590 175.2629 62 N 4.0966 8.3127 115.5931 54.5401 37.3576 174.3540 63 V 4.5328 7.9749 119.2485 62.5427 33.4455 175.5435 64 T 4.9297 8.7647 125.0058 61.3423 71.6265 173.7495 65 K 4.5042 8.7723 126.0978 56.5700 32.5947 176.2268 66 E 4.8212 9.2513 124.2151 54.3499 32.9179 176.1918 67 A 4.2484 8.4427 123.4371 52.4669 19.1544 177.3801 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 M 8.29 4.60 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 2 Q 7.98 4.27 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.56 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 3 R 8.38 5.16 0.00 1.71 1.91 0.00 3.42 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 4 G 8.77 4.34 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 0.00 5 K 8.68 5.13 0.00 1.84 1.63 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 6 V 8.60 3.91 2.22 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 0.96 0.00 0.00 0.89 0.00 0.00 7 K 9.50 4.24 0.00 1.82 1.95 0.00 1.96 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.50 7.81 8 W 7.69 5.16 0.00 3.49 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.97 4.97 0.00 2.96 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 10 N 9.02 4.59 0.00 2.75 2.26 0.00 0.00 6.46 7.27 0.00 0.00 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 N 8.95 4.55 0.00 2.89 2.92 0.00 0.00 7.26 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 12 E 8.27 4.14 0.00 2.09 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 2.31 2.28 0.00 13 K 8.54 4.16 0.00 1.25 1.95 0.00 1.60 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 14 G 9.39 3.93 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 0.00 0.00 0.00 15 Y 6.05 4.70 0.00 2.70 3.01 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 16 G 7.52 3.25 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 0.00 17 F 7.54 4.90 0.00 2.51 2.75 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 18 I 8.66 4.67 1.37 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.33 0.59 0.00 0.00 19 E 9.23 4.81 0.00 2.04 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 0.00 2.51 2.29 0.00 20 V 8.17 4.78 2.17 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 1.07 0.00 0.00 1.16 0.00 0.00 21 E 8.93 4.14 0.00 2.00 1.88 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 2.32 2.34 0.00 22 G 9.59 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 23 G 7.70 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 24 S 8.44 4.54 0.00 3.83 3.85 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 25 D 8.71 4.80 0.00 2.56 2.73 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 0.00 0.00 0.00 26 V 8.62 4.50 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.09 0.00 0.00 27 F 9.00 3.84 0.00 2.96 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 28 V 6.95 4.29 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.77 0.00 0.00 29 H 8.38 4.93 0.00 3.24 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.06 4.27 0.00 3.33 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.89 3.62 4.04 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 0.57 0.00 0.00 32 A 7.93 4.30 1.31 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 0.00 0.00 0.00 33 I 7.41 4.26 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.84 0.00 0.00 34 Q 8.70 4.25 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 35 G 8.60 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.38 0.00 1.95 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 0.00 2.26 2.36 0.00 37 G 8.53 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.45 4.04 0.00 2.97 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 39 K 7.58 4.11 0.00 1.59 1.95 0.00 1.90 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.44 7.81 40 T 7.69 4.48 4.60 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 0.00 0.00 1.35 0.00 0.00 41 L 7.16 4.60 0.00 0.57 1.14 0.54 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.59 4.71 0.00 2.10 1.85 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 2.31 2.25 0.00 43 E 8.65 4.38 0.00 2.03 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 2.65 2.49 0.00 44 G 9.08 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 45 Q 7.85 4.08 0.00 2.46 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 46 E 8.82 4.62 0.00 2.15 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 2.39 2.43 0.00 47 V 9.02 5.17 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 0.65 0.00 0.00 1.00 0.00 0.00 48 S 8.79 5.40 0.00 3.82 3.94 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 49 F 8.32 5.47 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 50 E 9.08 4.91 0.00 2.09 1.88 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 2.19 2.24 0.00 51 I 8.27 5.14 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.80 1.04 0.00 0.00 52 V 8.98 4.61 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 0.78 0.00 0.00 1.00 0.00 0.00 53 Q 8.76 4.80 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 54 G 8.38 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.69 4.40 0.00 2.81 2.94 0.00 0.00 5.83 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 56 R 7.76 4.21 0.00 1.67 1.82 0.00 3.24 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 57 G 7.77 3.79 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 0.00 0.00 0.00 58 P 0.00 5.13 0.00 2.15 2.11 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 59 Q 9.08 4.89 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 60 A 8.91 4.87 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.99 4.57 1.20 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 0.00 0.00 62 N 8.31 4.10 0.00 2.90 2.81 0.00 0.00 6.59 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.97 4.53 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 0.77 0.00 0.00 0.92 0.00 0.00 64 T 8.76 4.93 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 1.26 0.00 0.00 65 K 8.77 4.50 0.00 1.62 1.73 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.42 7.81 66 E 9.25 4.82 0.00 1.76 1.82 0.00 0.00 0.00 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 2.38 0.00 67 A 8.44 4.25 1.22 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 0.00 0.00 0.00