NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4902 8.3449 120.8383 59.8381 31.6786 172.4191 2 S 4.4413 8.1642 121.5921 57.5842 67.0163 172.5123 3 T 4.5405 9.0715 115.2312 62.4859 70.7831 173.3362 4 V 3.6546 8.3443 118.3977 62.5011 29.5494 175.6889 5 S 4.3666 7.9100 118.4488 60.8683 63.2540 174.0638 6 P 4.2420 0.0000 0.0000 64.7420 31.5082 177.2203 7 G 4.2838 8.4528 111.0135 46.8496 0.0000 175.6347 8 V 3.6534 7.6471 119.2626 65.6771 31.1682 177.6875 9 L 3.9437 8.0182 117.8926 57.8826 41.4608 179.0975 10 A 4.1105 8.4770 121.0876 55.2108 18.1951 179.9181 11 G 3.6266 8.2164 104.1284 47.7559 0.0000 175.7929 12 I 3.6930 8.0273 121.4773 63.7825 37.9664 178.1266 13 V 3.5375 7.5850 118.6887 66.0546 31.4945 177.9451 14 V 3.6725 7.8318 118.0970 66.0211 31.3433 178.0888 15 G 3.6578 8.3915 105.7304 47.7932 0.0000 175.1602 16 D 4.2835 8.1893 120.3384 56.9274 41.3149 177.8867 17 L 3.8994 7.7987 120.8012 58.5663 42.0606 179.5702 18 V 3.6948 7.8280 111.9601 63.8776 31.3426 178.2931 19 L 3.9213 7.8104 120.4944 58.5685 41.9396 179.0158 20 T 3.8583 7.8666 115.5260 66.7986 68.4187 176.8157 21 V 3.5716 7.7753 120.0018 65.6422 31.5190 177.9114 22 L 3.9286 8.2943 120.5198 58.2953 42.0508 179.0683 23 I 3.7193 7.7526 119.4743 64.3302 37.0998 178.2429 24 A 4.0481 8.2123 121.7768 55.2539 18.1587 179.4914 25 L 4.0244 8.2536 118.5826 57.9122 41.6243 178.9916 26 A 4.0421 8.0353 120.9233 55.4395 18.3996 180.1142 27 V 3.4914 7.8745 110.9066 64.7042 31.3954 178.2126 28 Y 3.9614 8.1086 118.4590 60.3681 38.6197 177.5551 29 F 4.1871 8.3735 121.1407 61.3314 39.5808 176.6483 30 L 4.2465 7.5768 118.1652 57.1061 42.3993 177.7970 31 G 3.5391 7.3651 107.1110 45.9373 0.0000 174.1176 32 R 4.2463 8.2933 119.4081 56.8613 31.2460 174.7564 33 L 3.4971 7.7681 114.3232 54.7401 38.9586 174.8569 34 G 5.0160 7.7702 122.1826 47.0623 0.0000 171.8614 35 T 3.7766 7.7607 108.7507 61.9149 69.2918 175.2109 36 A 3.5440 8.2993 126.6688 51.8644 17.9830 176.4828 37 E 3.9945 8.7184 112.9107 57.4404 27.4557 177.5127 38 V 3.6601 7.4459 114.7325 64.2616 31.3008 177.8058 39 L 4.0071 8.2403 119.9634 58.1830 41.5519 179.0889 40 G 3.6984 8.1682 105.5726 48.0251 0.0000 175.5211 41 I 3.7745 7.9338 122.6905 64.1784 37.1190 178.6339 42 I 3.7434 7.6528 120.0499 64.2032 37.0022 178.1228 43 S 4.1037 8.2487 114.4490 61.4758 62.2852 176.3306 44 I 3.7285 7.7592 115.7493 64.1381 37.2556 178.3223 45 V 3.6296 7.8859 120.0102 65.2704 31.2532 177.9301 46 L 3.9363 7.9872 120.6603 58.1259 42.0406 179.3604 47 V 3.6779 7.9038 118.8847 64.4198 31.2680 178.3289 48 A 3.9136 7.9657 121.5047 55.3864 18.3624 179.5869 49 T 3.7919 7.8089 114.1683 67.1110 68.5107 177.3924 50 V 3.7218 7.8154 114.0205 63.8325 31.4660 178.5326 51 L 3.9262 7.8327 120.4379 58.1350 42.0138 179.1647 52 K 3.9668 7.9868 118.3209 59.7530 32.0198 179.5453 53 T 3.8729 7.9338 115.9328 66.7698 68.1581 176.8611 54 I 3.7776 7.7450 120.7275 64.4891 37.2728 178.6360 55 V 3.8460 7.8509 113.2810 63.9168 31.3298 178.4501 56 L 4.0965 8.1670 120.3187 58.0940 41.9476 178.6933 57 I 3.7466 7.8537 120.1249 63.7425 36.9055 176.3850 58 P 4.0991 0.0000 0.0000 65.6422 30.7510 176.7435 59 F 4.0336 7.2300 121.2191 60.0533 39.7541 176.7323 60 L 4.1789 8.5616 121.9619 56.9354 41.8192 177.6511 61 E 4.1707 8.5644 120.3490 55.5542 30.0542 177.4743 62 Q 4.0641 8.4248 127.3187 56.6146 26.6732 176.7326 *63 N 4.4634 8.1315 118.1470 52.2133 38.3338 174.0305 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 C 8.34 4.49 0.00 2.95 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 2 S 8.16 4.44 0.00 3.94 3.73 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 3 T 9.07 4.54 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 1.23 0.00 0.00 4 V 8.34 3.65 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 0.75 0.00 0.00 0.96 0.00 0.00 5 S 7.91 4.37 0.00 3.91 3.91 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 6 P 0.00 4.24 0.00 2.03 2.14 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 7 G 8.45 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 8 V 7.65 3.65 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 1.01 0.00 0.00 0.98 0.00 0.00 9 L 8.02 3.94 0.00 1.72 1.70 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.48 4.11 1.33 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 0.00 0.00 0.00 11 G 8.22 3.63 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 0.00 0.00 0.00 12 I 8.03 3.69 1.94 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 1.40 1.32 0.93 0.00 0.00 13 V 7.58 3.54 2.25 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 0.97 0.00 0.00 0.99 0.00 0.00 14 V 7.83 3.67 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 0.91 0.00 0.00 0.98 0.00 0.00 15 G 8.39 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 16 D 8.19 4.28 0.00 2.82 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 17 L 7.80 3.90 0.00 1.81 1.78 0.92 1.05 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 18 V 7.83 3.69 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 0.85 0.00 0.00 1.01 0.00 0.00 19 L 7.81 3.92 0.00 1.92 1.72 0.92 0.83 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 20 T 7.87 3.86 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 21 V 7.78 3.57 2.20 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 0.97 0.00 0.00 0.97 0.00 0.00 22 L 8.29 3.93 0.00 1.89 1.64 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.75 3.72 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.72 0.93 0.00 0.00 24 A 8.21 4.05 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 25 L 8.25 4.02 0.00 1.87 1.91 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.04 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.49 2.13 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 0.88 0.00 0.00 1.11 0.00 0.00 28 Y 8.11 3.96 0.00 3.16 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 29 F 8.37 4.19 0.00 3.32 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 30 L 7.58 4.25 0.00 1.65 1.72 1.00 1.10 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 31 G 7.37 3.54 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 0.00 0.00 0.00 32 R 8.29 4.25 0.00 1.53 1.67 0.00 3.29 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 33 L 7.77 3.50 0.00 1.70 1.61 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.77 5.02 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 0.00 0.00 0.00 35 T 7.76 3.78 4.21 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 1.17 0.00 0.00 36 A 8.30 3.54 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 3.99 0.00 2.14 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 0.00 2.30 2.25 0.00 38 V 7.45 3.66 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 0.78 0.00 0.00 0.93 0.00 0.00 39 L 8.24 4.01 0.00 1.76 1.71 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.17 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.77 2.08 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 1.60 0.45 1.03 0.00 0.00 42 I 7.65 3.74 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 0.93 0.00 0.00 43 S 8.25 4.10 0.00 3.99 3.97 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 44 I 7.76 3.73 1.88 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 1.66 0.51 0.97 0.00 0.00 45 V 7.89 3.63 2.23 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 0.97 0.00 0.00 1.00 0.00 0.00 46 L 7.99 3.94 0.00 1.96 1.71 0.92 0.75 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 47 V 7.90 3.68 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 0.91 0.00 0.00 0.93 0.00 0.00 48 A 7.97 3.91 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 49 T 7.81 3.79 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 7.82 3.72 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 0.82 0.00 0.00 0.98 0.00 0.00 51 L 7.83 3.93 0.00 1.88 1.81 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.99 3.97 0.00 1.91 1.84 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 53 T 7.93 3.87 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 1.22 0.00 0.00 54 I 7.74 3.78 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 1.53 0.55 0.93 0.00 0.00 55 V 7.85 3.85 2.07 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 0.97 0.00 0.00 1.02 0.00 0.00 56 L 8.17 4.10 0.00 1.82 1.72 0.92 0.85 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 57 I 7.85 3.75 2.03 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 1.59 0.74 0.93 0.00 0.00 58 P 0.00 4.10 0.00 2.23 2.24 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 59 F 7.23 4.03 0.00 3.25 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 60 L 8.56 4.18 0.00 1.89 1.78 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.56 4.17 0.00 1.93 1.86 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 2.30 2.27 0.00 62 Q 8.42 4.06 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 *63 N 8.13 4.46 0.00 2.44 2.60 0.00 0.00 6.79 7.54 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 * Residues marked with a * may have inaccurate shift predictions.