NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2357 8.3349 116.7863 58.0721 64.5722 171.7558 5 L 3.6099 8.1275 123.8210 52.5185 41.1218 172.2184 6 K 4.3772 8.8554 122.1845 57.4169 37.4165 175.0671 7 K 4.6031 8.2243 118.4881 53.5115 32.6598 174.3219 8 G 4.0491 7.1807 107.5373 46.4391 0.0000 172.1189 9 V 4.3784 7.8172 113.6272 63.0590 33.7385 173.6284 10 F 3.8091 8.5682 109.5721 58.2117 38.0109 175.9010 11 V 3.0956 8.6988 123.4299 61.9465 31.0990 175.9398 12 D 4.4604 8.4712 124.4629 54.7503 41.3277 176.5515 13 D 4.4778 8.6451 122.1409 57.4648 41.2774 178.9773 14 H 4.4211 8.1426 109.7708 56.2605 28.0018 174.7319 15 L 4.5667 8.9361 118.8529 56.7687 43.4073 178.5569 16 L 3.8970 8.0781 117.8568 58.0975 41.5410 179.1642 17 E 4.1138 8.1620 118.1395 59.3093 28.1267 178.4542 18 K 4.0865 8.0163 117.8724 57.9859 32.2164 177.8120 19 V 3.8969 7.7093 117.9329 65.4169 32.1819 177.5111 20 L 4.0955 9.0516 117.4943 57.7342 41.3171 178.9134 21 E 4.2180 8.3804 118.2924 58.5994 29.6113 178.4925 22 L 4.3070 7.4005 116.9327 56.1600 41.8644 177.9512 23 N 4.8953 8.6083 116.5424 52.7955 38.1223 174.7154 24 A 4.1651 7.1126 123.0255 53.1615 16.5648 176.8149 25 K 3.8275 8.4375 118.1280 57.0832 29.6824 178.2852 26 G 3.9629 8.5714 105.0974 46.8986 0.0000 175.9663 27 E 4.3991 8.5610 124.9494 56.0246 30.7241 177.7680 28 K 4.4357 8.3951 120.5896 57.6799 31.5829 176.0293 29 R 4.5848 8.5139 113.7698 57.9032 35.2040 173.9062 30 L 3.9785 8.1822 123.4691 55.0967 41.7378 174.6418 31 I 4.3217 8.1891 121.7174 58.4197 39.2299 173.5564 32 K 4.4219 8.3928 128.4463 56.3669 32.6896 176.3277 33 T 4.8951 8.1808 117.8451 60.7909 71.3947 173.6046 34 W 4.8905 9.2573 123.9476 56.6530 30.5581 177.1301 35 S 4.7777 8.3645 115.3344 57.6318 61.9601 175.7648 36 R 4.2104 7.9063 117.3665 58.8871 30.0418 177.5955 37 R 4.9707 7.4396 114.9453 56.3617 30.3608 175.9903 38 S 4.4203 7.7815 111.1748 57.8994 66.9613 173.1165 39 T 4.4799 7.5222 117.0051 63.1093 69.8712 175.3741 40 I 4.1220 8.1598 124.8170 59.7336 36.6216 176.0623 41 V 3.6559 8.1928 126.2727 61.9687 32.0439 174.1929 42 P 4.2525 0.0000 0.0000 63.9335 31.7584 176.0937 43 E 3.7020 8.6573 120.4487 58.2422 26.1510 174.8896 44 M 4.4564 7.7818 116.6887 54.9700 33.3405 176.8260 45 V 3.5703 7.4431 112.1250 62.6204 32.5575 174.9490 46 G 4.4830 8.9021 113.4280 46.0173 0.0000 174.1324 47 H 4.5537 7.9101 118.3032 55.7111 30.0987 174.6930 48 T 4.9622 8.6944 113.5941 60.1249 71.1480 173.1619 49 I 4.4719 8.3988 126.7049 59.5417 39.8279 175.1479 50 A 4.7434 8.2811 129.5230 49.8827 17.3850 175.7138 51 V 3.9318 7.8582 120.8906 62.9863 33.3523 174.9620 52 Y 4.7196 8.2303 128.8232 56.5316 40.2212 174.9937 53 N 4.5968 7.2506 113.2740 53.1210 39.9032 173.9939 54 G 3.9559 6.7379 110.9154 45.7924 0.0000 174.1781 55 K 4.2816 7.6992 118.0795 56.9140 34.0507 175.4952 56 Q 4.6821 7.0209 113.8026 54.6250 32.9802 172.3598 57 H 4.6930 8.6582 116.4064 55.2835 29.4930 176.2924 58 V 4.1094 9.8115 118.4549 59.0482 31.8971 172.9578 59 P 4.3721 0.0000 0.0000 63.2660 31.8044 175.9331 60 V 4.4354 8.7392 125.7163 59.8131 33.5738 174.5909 61 Y 4.7865 8.6804 126.5344 57.1756 39.7505 174.0361 62 I 4.0579 6.7774 122.1683 59.7656 40.8265 174.0005 63 T 4.1287 7.4936 116.6678 60.7917 69.5784 173.6070 64 E 4.1128 8.6892 122.9268 58.2630 29.5773 178.1636 65 N 4.4482 7.7747 117.6571 56.4801 38.8971 175.3735 66 M 4.4722 7.7342 114.7397 55.4079 31.5134 174.7335 67 V 4.4858 7.6682 116.3870 62.3550 39.4937 175.8464 68 G 3.6427 7.9893 115.5592 47.9250 0.0000 172.9434 69 H 4.7101 7.5750 117.9537 54.6710 28.4237 175.4757 70 K 4.2875 8.7182 124.6811 56.3327 32.5008 178.1830 71 L 4.2781 8.7643 123.0064 58.2315 42.1270 179.9969 72 G 3.9373 8.4733 107.4003 48.8424 0.0000 174.7598 73 E 4.0315 8.3291 119.9834 55.6581 28.7503 178.2595 74 F 4.5910 7.5448 111.0203 58.3650 42.3451 174.6091 75 A 4.4709 8.0457 124.3431 49.1907 19.9085 174.7963 76 P 4.3074 0.0000 0.0000 63.8045 31.6183 176.9058 77 T 3.9586 8.6915 114.5310 63.7919 69.0881 174.8077 78 R 4.6555 7.6660 118.8350 54.1850 32.6279 175.1613 79 T 4.3726 8.1406 117.0197 63.7475 70.2408 175.1300 80 Y 4.1729 8.8035 126.9959 58.5930 35.9404 166.9479 81 R 4.3986 7.2691 120.5370 53.9672 33.6791 176.9745 *82 G 3.7274 8.4156 106.5717 46.1907 0.0000 172.7952 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 4.24 0.00 3.86 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 5 L 8.13 3.61 0.00 1.92 1.75 0.97 0.37 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 6 K 8.86 4.38 0.00 1.80 1.86 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.28 7.81 7 K 8.22 4.60 0.00 1.69 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.49 7.81 8 G 7.18 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 9 V 7.82 4.38 2.06 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 0.92 0.00 0.00 0.95 0.00 0.00 10 F 8.57 3.81 0.00 3.33 3.31 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 11 V 8.70 3.10 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 0.58 0.00 0.00 0.79 0.00 0.00 12 D 8.47 4.46 0.00 2.58 2.41 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 13 D 8.65 4.48 0.00 2.81 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 14 H 8.14 4.42 0.00 3.30 3.40 0.00 5.46 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.94 4.57 0.00 1.44 1.63 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.08 3.90 0.00 1.70 1.73 0.88 0.75 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 17 E 8.16 4.11 0.00 2.03 1.95 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 2.38 2.38 0.00 18 K 8.02 4.09 0.00 1.91 1.94 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.54 7.81 19 V 7.71 3.90 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 0.92 0.00 0.00 0.89 0.00 0.00 20 L 9.05 4.10 0.00 1.65 1.72 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.38 4.22 0.00 2.07 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 2.31 2.49 0.00 22 L 7.40 4.31 0.00 1.73 1.70 0.93 0.55 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 23 N 8.61 4.90 0.00 2.99 3.18 0.00 0.00 6.69 7.36 0.00 0.00 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 7.11 4.17 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 25 K 8.44 3.83 0.00 2.05 2.03 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.42 7.81 26 G 8.57 3.96 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 0.00 0.00 0.00 27 E 8.56 4.40 0.00 1.94 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 2.35 2.33 0.00 28 K 8.40 4.44 0.00 1.75 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.39 7.81 29 R 8.51 4.58 0.00 1.89 2.11 0.00 3.13 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 30 L 8.18 3.98 0.00 1.68 1.70 0.92 0.93 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 31 I 8.19 4.32 1.87 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 1.31 0.97 0.00 0.00 32 K 8.39 4.42 0.00 1.65 1.31 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.41 7.81 33 T 8.18 4.90 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 1.22 0.00 0.00 34 W 9.26 4.89 0.00 3.36 3.10 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 0.00 0.00 0.00 0.00 35 S 8.36 4.78 0.00 4.13 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 7.91 4.21 0.00 2.15 2.32 0.00 3.04 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 37 R 7.44 4.97 0.00 2.22 2.17 0.00 3.23 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 38 S 7.78 4.42 0.00 3.65 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.52 4.48 4.00 0.00 0.00 0.00 0.00 0.00 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 40 I 8.16 4.12 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.86 0.00 0.00 41 V 8.19 3.66 2.04 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 0.76 0.00 0.00 0.86 0.00 0.00 42 P 0.00 4.25 0.00 2.07 1.96 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 43 E 8.66 3.70 0.00 2.13 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 2.18 2.25 0.00 44 M 7.78 4.46 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 45 V 7.44 3.57 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 0.64 0.00 0.00 0.98 0.00 0.00 46 G 8.90 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.55 0.00 3.31 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.69 4.96 4.30 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 1.39 0.00 0.00 49 I 8.40 4.47 1.86 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 1.15 0.63 0.99 0.00 0.00 50 A 8.28 4.74 1.17 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 51 V 7.86 3.93 2.12 0.00 0.00 0.00 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 52 Y 8.23 4.72 0.00 2.05 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 53 N 7.25 4.60 0.00 2.68 2.72 0.00 0.00 6.09 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 6.74 3.96 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 0.00 0.00 0.00 55 K 7.70 4.28 0.00 1.59 1.63 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.31 7.81 56 Q 7.02 4.68 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 57 H 8.66 4.69 0.00 3.05 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.81 4.11 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 0.85 0.00 0.00 1.06 0.00 0.00 59 P 0.00 4.37 0.00 2.08 2.11 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 60 V 8.74 4.44 2.12 0.00 0.00 0.00 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 0.77 0.00 0.00 61 Y 8.68 4.79 0.00 2.85 2.86 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 0.00 0.00 0.00 62 I 6.78 4.06 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.67 0.87 0.00 0.00 63 T 7.49 4.13 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 64 E 8.69 4.11 0.00 2.08 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 0.00 2.24 2.31 0.00 65 N 7.77 4.45 0.00 2.70 2.93 0.00 0.00 6.96 8.95 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 66 M 7.73 4.47 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 67 V 7.67 4.49 2.06 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 0.70 0.00 0.00 0.95 0.00 0.00 68 G 7.99 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 0.00 0.00 0.00 69 H 7.57 4.71 0.00 3.42 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.72 4.29 0.00 1.91 2.10 0.00 2.27 0.00 0.00 2.09 0.00 0.00 3.18 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.68 1.69 7.81 71 L 8.76 4.28 0.00 1.81 1.86 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.47 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 73 E 8.33 4.03 0.00 1.66 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 2.21 2.21 0.00 74 F 7.54 4.59 0.00 3.26 2.98 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 0.00 0.00 0.00 75 A 8.05 4.47 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 76 P 0.00 4.31 0.00 2.32 2.09 0.00 3.77 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 1.97 1.95 0.00 77 T 8.69 3.96 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 1.20 0.00 0.00 78 R 7.67 4.66 0.00 1.81 1.88 0.00 3.20 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 79 T 8.14 4.37 4.27 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 0.00 0.00 1.24 0.00 0.00 80 Y 8.80 4.17 0.00 2.83 3.33 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 81 R 7.27 4.40 0.00 1.77 1.80 0.00 3.48 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 *82 G 8.42 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.