NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.8704 8.1400 116.4979 58.2343 65.1900 175.5287 7 L 3.8886 7.9509 122.5696 57.1505 41.7942 173.7089 8 V 3.6059 7.6382 118.1145 65.9269 32.1186 177.5254 9 S 4.5435 7.9752 114.8539 61.2816 62.4800 175.3540 10 F 4.0860 9.0726 125.5458 61.5335 38.9004 177.0406 11 L 3.7587 8.2184 118.1995 57.8070 41.5073 179.9900 12 T 3.9530 7.7664 109.5885 64.7401 68.7337 176.5925 13 G 3.7623 8.6836 106.6082 45.2646 0.0000 173.4128 14 L 4.2752 7.2445 120.4719 54.3119 43.0617 176.8292 15 G 3.9174 8.8674 106.4163 46.5020 0.0000 174.0071 16 C 5.0067 8.4897 111.4617 55.2866 29.3214 173.4666 17 P 4.4294 0.0000 0.0000 65.0986 31.7997 178.4455 18 N 4.4807 7.8939 115.3895 54.4931 37.8244 176.1889 19 C 4.9681 8.2863 117.0165 60.9727 28.5349 175.4214 20 I 3.9508 7.3399 122.6448 64.7048 36.6737 177.7015 21 E 3.9605 8.0513 119.9242 59.0328 28.9835 178.7067 22 Y 4.0850 6.8557 115.3596 61.1277 38.1101 178.7503 23 F 4.4196 8.1955 117.8664 60.5355 39.0774 178.1040 24 T 4.2269 8.0006 110.0347 63.8312 68.2328 176.1572 25 S 4.1711 8.3419 116.3002 60.4681 62.5656 174.3955 26 Q 4.3781 8.2927 117.2115 55.4995 28.8527 176.2956 27 G 3.9444 7.9295 106.6751 45.1577 0.0000 173.4400 28 L 4.4253 7.7438 120.5551 54.0639 42.2162 177.0725 29 Q 4.4907 8.5247 121.0579 55.4746 31.9743 174.0272 30 S 4.7831 7.8209 111.9126 57.4822 64.1440 174.5563 31 I 3.8469 8.2473 126.0572 64.6947 37.2165 177.3413 32 Y 3.9319 8.3513 119.7020 61.8808 37.3751 178.6824 *33 H 4.1040 8.3482 118.7318 60.3479 28.3772 179.2048 34 L 4.2013 7.6361 121.2755 58.1372 41.5409 179.1863 35 Q 4.0968 8.1395 118.0176 58.0320 28.5888 176.3676 36 N 4.8492 7.5380 115.7921 52.6753 37.5735 174.9715 37 L 4.5990 7.3564 117.6525 54.9201 42.9523 176.9832 38 T 4.7193 8.5932 112.3821 60.3246 72.0713 175.9776 39 I 3.5741 7.8490 121.4092 64.4058 36.8296 178.3285 40 E 3.8987 8.0016 119.7664 59.1058 29.4624 178.2631 41 D 4.3649 8.0465 119.0307 57.5926 40.9664 178.7693 42 L 4.0768 8.1835 119.3920 57.8592 41.3430 180.0033 43 G 3.5255 7.5784 104.7731 47.6572 0.0000 175.4463 44 A 4.1944 8.1809 123.4199 54.6033 18.0521 179.0009 45 L 4.0147 7.8924 115.2002 54.2601 41.6790 176.9312 46 K 3.8103 7.6777 115.9741 57.1317 30.4118 175.1711 47 I 2.9415 6.9680 118.2239 59.6140 37.8381 174.5563 48 P 4.1964 0.0000 0.0000 62.8988 31.5028 176.8582 49 E 4.1059 8.9629 124.4975 58.8819 29.6492 177.7558 50 Q 3.8734 7.8434 118.3189 58.3689 29.4122 176.2348 51 Y 4.6398 8.2264 113.9528 57.9340 38.6189 177.2971 52 R 3.9797 8.1843 119.2350 60.5491 29.8389 178.2561 53 M 4.1839 7.9987 117.1773 59.0844 32.1928 178.2797 54 T 3.9273 8.2213 115.0733 67.1778 68.5961 175.9232 55 I 3.7778 8.6548 121.2461 64.4492 37.4296 178.0976 56 W 4.2312 9.0429 129.5711 60.6718 30.6106 177.6212 57 R 3.6650 9.4356 119.3665 59.5222 29.3005 178.3092 58 G 4.1948 8.3583 104.2183 47.9677 0.0000 175.2552 59 L 3.9045 8.6417 121.4590 57.1623 41.2880 179.6483 60 Q 3.6724 7.3016 117.6608 58.8871 28.8676 178.0575 61 D 4.4216 7.9227 119.7964 56.1582 40.5488 176.7916 62 L 4.1866 7.3274 123.3524 55.5586 40.5340 176.0423 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 S 8.14 4.87 0.00 3.67 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 7 L 7.95 3.89 0.00 1.90 1.70 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.64 3.61 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 1.04 0.00 0.00 0.95 0.00 0.00 9 S 7.98 4.54 0.00 4.11 4.13 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 0.00 0.00 0.00 0.00 10 F 9.07 4.09 0.00 3.10 3.26 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 11 L 8.22 3.76 0.00 1.74 1.88 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.77 3.95 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 1.22 0.00 0.00 13 G 8.68 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.24 4.28 0.00 1.41 1.54 0.57 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.49 5.01 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.17 2.11 0.00 3.53 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 18 N 7.89 4.48 0.00 2.84 3.02 0.00 0.00 6.24 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.29 4.97 0.00 3.25 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 3.95 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 1.58 1.01 0.96 0.00 0.00 21 E 8.05 3.96 0.00 1.70 1.67 0.00 0.00 0.00 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 2.17 0.00 22 Y 6.86 4.09 0.00 2.72 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 23 F 8.20 4.42 0.00 3.23 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.23 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 1.32 0.00 0.00 25 S 8.34 4.17 0.00 4.02 3.88 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 0.00 0.00 0.00 26 Q 8.29 4.38 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 27 G 7.93 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 0.00 0.00 0.00 28 L 7.74 4.43 0.00 2.01 1.79 1.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.52 4.49 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 30 S 7.82 4.78 0.00 3.88 3.71 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 0.00 0.00 0.00 0.00 31 I 8.25 3.85 1.83 0.00 0.00 0.52 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 0.78 0.64 0.00 0.00 32 Y 8.35 3.93 0.00 2.94 2.94 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 *33 H 8.35 4.10 0.00 2.91 3.11 0.00 7.20 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.64 4.20 0.00 1.95 1.60 0.85 0.37 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 35 Q 8.14 4.10 0.00 2.36 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.17 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 36 N 7.54 4.85 0.00 2.83 2.92 0.00 0.00 7.00 7.59 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 37 L 7.36 4.60 0.00 2.02 1.79 1.18 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.59 4.72 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 1.28 0.00 0.00 39 I 7.85 3.57 1.53 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 -0.36 0.67 0.00 0.00 40 E 8.00 3.90 0.00 1.98 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 2.36 2.37 0.00 41 D 8.05 4.36 0.00 3.14 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 42 L 8.18 4.08 0.00 1.90 1.80 1.22 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.58 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 0.00 0.00 0.00 44 A 8.18 4.19 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 45 L 7.89 4.01 0.00 1.60 1.45 0.77 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.68 3.81 0.00 1.91 1.87 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 47 I 6.97 2.94 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.17 0.87 0.00 0.00 48 P 0.00 4.20 0.00 2.65 2.16 0.00 3.49 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.17 0.00 49 E 8.96 4.11 0.00 1.88 1.96 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 2.26 2.24 0.00 50 Q 7.84 3.87 0.00 1.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.34 1.95 0.00 51 Y 8.23 4.64 0.00 3.02 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 52 R 8.18 3.98 0.00 1.86 2.00 0.00 3.31 0.00 0.00 3.31 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 53 M 8.00 4.18 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 54 T 8.22 3.93 4.56 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 55 I 8.65 3.78 2.31 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.89 1.21 0.00 0.00 56 W 9.04 4.23 0.00 3.51 3.46 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 0.00 0.00 0.00 0.00 57 R 9.44 3.67 0.00 2.10 2.20 0.00 3.11 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 58 G 8.36 4.19 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 0.00 0.00 0.00 59 L 8.64 3.90 0.00 1.63 1.55 1.02 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.30 3.67 0.00 1.66 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 1.44 2.07 0.00 61 D 7.92 4.42 0.00 2.88 2.70 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 62 L 7.33 4.19 0.00 1.81 1.44 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.