NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2693 8.3349 116.7813 56.8754 65.0508 171.2180 5 L 3.8728 8.4553 124.9449 52.5851 41.2985 172.4691 6 K 4.6628 9.1900 119.7223 57.4103 37.3454 177.3078 7 K 4.1252 8.3567 118.3045 58.0128 32.4924 176.2092 8 G 4.3836 7.7704 105.8713 43.7785 0.0000 172.4625 9 V 4.3501 8.0890 116.5426 61.4163 32.6469 175.8218 10 F 3.8648 8.4924 110.8341 57.8072 36.9228 175.2378 11 V 3.6184 7.1759 120.3359 61.0850 32.0364 175.8758 12 D 4.3860 8.4915 124.2535 54.9051 41.1843 176.5197 13 D 4.7740 8.5838 121.2503 54.9048 41.2044 177.0715 14 H 4.8871 7.7837 113.7979 55.3528 29.1737 175.1272 15 L 4.5082 7.4558 119.8069 56.7908 43.1873 178.9058 16 L 3.9556 7.8154 118.0551 57.7343 41.8841 179.0860 17 E 3.8819 8.0273 119.4350 58.6501 29.6949 178.1854 18 K 4.0177 7.9306 117.9262 57.3506 32.5955 176.7862 19 V 4.2285 7.3367 115.7558 62.6241 32.3998 175.7309 20 L 4.3281 8.1851 119.1842 56.6304 42.3400 178.1406 21 E 4.1308 7.7276 115.8743 57.4235 30.2790 177.4305 22 L 4.4037 7.5859 120.2375 55.2950 42.4470 176.4525 23 N 4.5697 7.6108 114.6672 54.9160 39.2781 175.6209 24 A 4.2686 7.0507 120.2536 51.0928 16.8113 176.9727 25 K 4.0880 8.1548 120.3096 54.6768 31.2430 175.8364 26 G 4.2295 7.8390 105.7016 45.2704 0.0000 174.9576 27 E 4.6283 7.6249 127.5251 56.1470 30.4915 177.3145 28 K 4.7854 8.2398 130.5927 56.2157 31.2580 178.2493 29 R 4.3633 8.6628 124.7919 57.5421 33.6436 172.6837 30 L 3.8858 8.1764 120.4280 55.1935 41.6997 175.3060 31 I 4.6613 8.0535 125.4799 58.9766 41.4640 173.6981 32 K 5.0066 8.7293 128.0885 54.9479 34.3099 175.3089 33 T 4.9159 8.4709 117.6816 60.0084 71.6990 173.4953 34 W 4.6641 9.1432 123.5449 56.7467 30.4052 176.5824 35 S 4.9418 7.6794 110.2781 57.9233 62.5089 175.3497 36 R 4.1776 8.1475 112.2043 57.7834 29.3028 177.1413 37 R 4.4929 7.9514 116.7127 57.1923 30.6459 176.5706 38 S 4.5246 7.7674 112.9695 57.3168 65.3860 173.7193 39 T 4.2160 7.2876 116.5991 63.0677 69.4194 174.6728 40 I 4.0115 7.7409 125.2214 60.8707 37.9374 176.0271 41 V 3.8770 8.1899 126.7652 61.0357 32.6154 173.9036 42 P 4.2446 0.0000 0.0000 63.9361 31.8381 176.5112 43 E 4.0444 8.8414 119.1659 57.1561 29.4250 175.5908 44 M 4.4222 7.6512 115.4511 55.7494 31.9375 176.4012 45 V 3.6307 7.0116 113.7445 63.2294 32.2063 174.4314 46 G 4.0136 8.2276 113.1621 46.1865 0.0000 173.5266 47 H 4.3275 7.1893 117.8694 55.1959 26.0792 174.5766 48 T 3.8905 8.2791 115.7588 61.6319 69.8552 173.2545 49 I 4.6027 8.2092 127.3968 59.3086 39.1474 175.0729 50 A 5.0969 8.6517 129.8480 50.8316 19.8279 176.2605 51 V 4.7053 8.3317 121.5540 61.0930 35.3767 173.4768 52 Y 4.9939 8.1287 126.3926 55.7282 38.9935 174.9252 53 N 4.6375 8.3707 123.3443 52.0388 38.2627 174.6437 54 G 3.9141 7.0051 108.6972 45.7007 0.0000 174.4432 55 K 4.2753 7.4600 118.5067 57.2214 34.2481 175.1449 56 Q 4.3617 6.7699 114.9623 55.5186 31.9448 171.4083 57 H 5.1094 8.7923 116.4956 54.7052 30.8457 174.7340 58 V 4.1009 8.5517 118.7671 58.7308 32.4687 176.6226 59 P 4.6740 0.0000 0.0000 61.9399 30.5436 177.5569 60 V 3.6928 7.6935 118.7369 62.8301 31.8298 175.3012 61 Y 4.2669 8.5773 126.1036 57.6421 40.0737 174.7227 62 I 4.2945 6.7086 122.7077 59.3111 41.1767 173.9142 63 T 5.0372 8.1271 122.6727 59.6629 70.8429 174.2580 64 E 3.9798 8.9473 122.1445 58.9532 29.7956 177.9437 65 N 4.3584 8.4030 116.8779 55.6578 38.6823 174.5945 66 M 4.6511 8.0301 115.9052 53.6428 31.8933 174.3102 67 V 4.1997 7.8818 122.6129 63.9708 34.0150 177.2907 68 G 3.6463 7.9412 110.1941 48.1149 0.0000 173.4077 69 H 4.5330 7.6155 117.0733 55.5902 29.3145 175.4334 70 K 4.6043 8.3349 121.1163 55.0176 33.2142 176.9381 71 L 4.4502 8.5120 117.7031 55.5867 41.6240 178.0465 72 G 4.0056 7.9281 107.8909 46.7780 0.0000 175.3343 73 E 4.0105 8.4022 118.6887 58.9298 29.5321 177.2382 74 F 4.5677 8.1833 115.5867 56.8994 39.4453 176.0765 75 A 4.3810 7.7608 124.7980 49.7574 19.9301 174.8817 76 P 4.2444 0.0000 0.0000 64.3644 31.4513 176.9159 77 T 4.1605 8.5051 113.4293 62.6044 69.6385 174.9715 78 R 4.6474 7.7422 119.6698 54.1872 33.0013 174.8600 79 T 4.3341 8.1597 111.3491 62.1835 69.9722 174.5314 80 Y 4.3010 8.7000 130.1671 57.8574 37.1644 169.6491 81 R 3.8149 7.7507 117.6983 56.1381 31.1240 177.5780 *82 G 3.7274 8.5771 110.0853 45.8837 0.0000 172.4545 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 4 S 8.33 4.27 0.00 3.86 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 3.87 0.00 1.87 1.88 1.06 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.19 4.66 0.00 1.81 1.86 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.40 7.81 7 K 8.36 4.13 0.00 1.77 1.92 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 8 G 7.77 4.38 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 0.00 9 V 8.09 4.35 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 0.92 0.00 0.00 0.93 0.00 0.00 10 F 8.49 3.86 0.00 3.28 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 11 V 7.18 3.62 1.79 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 0.60 0.00 0.00 0.85 0.00 0.00 12 D 8.49 4.39 0.00 2.59 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 0.00 0.00 0.00 0.00 13 D 8.58 4.77 0.00 2.70 2.66 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 14 H 7.78 4.89 0.00 3.26 3.40 0.00 5.50 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.46 4.51 0.00 1.84 1.67 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.82 3.96 0.00 1.72 1.68 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.03 3.88 0.00 2.05 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 2.24 0.00 18 K 7.93 4.02 0.00 1.87 1.81 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.47 7.81 19 V 7.34 4.23 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 0.70 0.00 0.00 0.95 0.00 0.00 20 L 8.19 4.33 0.00 1.88 1.67 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.73 4.13 0.00 2.25 2.27 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 0.00 2.48 2.22 0.00 22 L 7.59 4.40 0.00 1.72 1.50 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.61 4.57 0.00 2.82 2.97 0.00 0.00 7.09 7.63 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 24 A 7.05 4.27 1.32 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 0.00 0.00 0.00 25 K 8.15 4.09 0.00 2.05 2.18 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.40 7.81 26 G 7.84 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 0.00 0.00 0.00 0.00 27 E 7.62 4.63 0.00 1.96 1.75 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 2.32 2.40 0.00 28 K 8.24 4.79 0.00 1.76 1.09 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 R 8.66 4.36 0.00 1.93 2.07 0.00 3.14 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 30 L 8.18 3.89 0.00 1.63 1.71 0.93 0.89 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 31 I 8.05 4.66 1.89 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 1.23 1.32 0.95 0.00 0.00 32 K 8.73 5.01 0.00 1.55 1.21 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 1.31 7.81 33 T 8.47 4.92 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 1.30 0.00 0.00 34 W 9.14 4.66 0.00 3.37 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 35 S 7.68 4.94 0.00 4.04 4.15 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 36 R 8.15 4.18 0.00 2.01 2.13 0.00 3.39 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 37 R 7.95 4.49 0.00 2.10 2.19 0.00 3.33 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 38 S 7.77 4.52 0.00 3.69 4.14 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 0.00 0.00 0.00 0.00 39 T 7.29 4.22 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 1.18 0.00 0.00 40 I 7.74 4.01 2.11 0.00 0.00 0.69 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 0.63 0.81 0.00 0.00 41 V 8.19 3.88 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 0.76 0.00 0.00 0.85 0.00 0.00 42 P 0.00 4.24 0.00 2.19 1.96 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 43 E 8.84 4.04 0.00 2.17 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 0.00 2.23 2.30 0.00 44 M 7.65 4.42 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 45 V 7.01 3.63 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 0.58 0.00 0.00 0.88 0.00 0.00 46 G 8.23 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 47 H 7.19 4.33 0.00 3.20 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.28 3.89 4.26 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 1.30 0.00 0.00 49 I 8.21 4.60 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.89 0.00 0.00 50 A 8.65 5.10 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 51 V 8.33 4.71 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 1.14 0.00 0.00 0.94 0.00 0.00 52 Y 8.13 4.99 0.00 2.23 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.37 4.64 0.00 2.85 2.81 0.00 0.00 6.42 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 54 G 7.01 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 0.00 0.00 0.00 55 K 7.46 4.28 0.00 1.57 1.62 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.38 7.81 56 Q 6.77 4.36 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.63 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 57 H 8.79 5.11 0.00 3.02 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.55 4.10 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 0.72 0.00 0.00 0.98 0.00 0.00 59 P 0.00 4.67 0.00 2.20 2.15 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 60 V 7.69 3.69 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 0.87 0.00 0.00 1.02 0.00 0.00 61 Y 8.58 4.27 0.00 2.95 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 62 I 6.71 4.29 1.60 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.95 0.63 0.00 0.00 63 T 8.13 5.04 4.43 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 1.36 0.00 0.00 64 E 8.95 3.98 0.00 2.11 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 0.00 2.29 2.35 0.00 65 N 8.40 4.36 0.00 2.76 3.00 0.00 0.00 6.81 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 66 M 8.03 4.65 0.00 2.08 1.74 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.56 0.00 67 V 7.88 4.20 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 0.98 0.00 0.00 0.97 0.00 0.00 68 G 7.94 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.62 4.53 0.00 3.78 3.59 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.33 4.60 0.00 1.88 2.05 0.00 2.13 0.00 0.00 1.04 0.00 0.00 3.33 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.58 1.54 7.81 71 L 8.51 4.45 0.00 1.83 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.93 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 73 E 8.40 4.01 0.00 1.85 1.63 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 2.29 2.40 0.00 74 F 8.18 4.57 0.00 3.01 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 75 A 7.76 4.38 1.21 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 0.00 0.00 76 P 0.00 4.24 0.00 2.16 2.08 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 77 T 8.51 4.16 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 78 R 7.74 4.65 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 79 T 8.16 4.33 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 80 Y 8.70 4.30 0.00 2.91 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 81 R 7.75 3.81 0.00 1.77 1.79 0.00 3.47 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 *82 G 8.58 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.