NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2693 8.3344 116.7931 58.1220 64.5843 174.1209 5 L 3.9088 8.9408 117.8313 53.8279 41.8740 171.1382 6 K 4.5812 8.7311 122.6221 56.7586 35.0394 175.5242 7 K 4.5744 8.3685 116.5258 54.6625 32.9631 174.3909 8 G 4.4274 7.1627 104.3919 43.5798 0.0000 172.3266 9 V 4.2240 8.1098 118.4268 62.3368 32.2830 175.9337 10 F 4.2002 8.1436 111.6062 58.0160 36.9597 175.5732 11 V 3.7436 7.1587 123.0315 61.3834 32.4838 175.3772 12 D 4.3660 8.6782 123.1294 55.1396 40.8338 177.6941 13 D 4.5552 8.7813 122.8353 56.6388 41.3050 177.3985 14 H 4.6809 8.1342 112.5477 56.1152 28.9254 175.9529 15 L 4.6207 7.3255 118.6142 55.0043 43.1590 178.3903 16 L 3.9688 7.6338 119.1673 57.4733 41.6709 178.2084 17 E 3.8691 7.7920 118.5574 59.6844 29.5017 179.0694 18 K 3.6262 8.0971 118.6281 59.5272 32.0655 178.6948 19 V 3.4696 7.3756 118.4206 65.8997 31.2381 178.1140 20 L 4.0146 7.8494 117.8298 57.7212 41.7378 178.9733 21 E 4.1176 8.9927 119.3601 59.5491 29.4184 179.4781 22 L 4.0920 8.2143 118.7081 57.0273 41.4879 177.9720 23 N 4.6983 8.1744 115.0788 53.2031 40.2245 175.2033 24 A 4.5215 7.3878 123.1785 48.9060 18.1486 176.2219 25 K 4.0689 9.2032 116.1188 54.8024 30.4199 176.6600 26 G 3.8461 7.7751 105.6587 46.0543 0.0000 172.1744 27 E 4.7535 8.4450 124.0005 54.6427 33.3811 176.9005 28 K 4.8715 7.4341 113.2278 55.2581 32.3848 177.6450 29 R 4.4566 8.3883 119.9509 57.5785 33.7033 174.2196 30 L 4.0833 8.0188 121.5288 55.6068 40.7831 174.8968 31 I 4.5276 7.4889 123.0751 58.0500 38.6353 173.8633 32 K 4.5312 8.2042 125.7725 55.4740 33.0912 174.9112 33 T 3.7756 6.8690 114.1712 62.3554 70.7044 172.5446 34 W 4.9641 8.9979 119.2054 56.1274 31.2949 176.1366 35 S 4.6686 8.2869 114.9374 58.0038 62.0004 175.5680 36 R 4.0722 8.0057 118.1351 59.9192 30.2575 177.4798 37 R 4.4538 7.8370 116.1505 55.6167 29.0640 174.2079 38 S 4.5482 7.5059 110.9867 57.8785 66.6956 172.7890 39 T 4.4954 7.6433 115.3794 61.4144 71.1449 174.2643 40 I 3.6105 7.7840 125.6761 61.8962 37.6922 175.7583 41 V 4.0186 8.1959 127.8735 60.8681 32.9235 173.6809 42 P 4.2024 0.0000 0.0000 64.3207 31.6706 175.5858 43 E 3.7365 8.7251 120.0434 57.4668 28.0385 173.9027 44 M 4.5631 7.5836 114.5688 55.3752 32.3451 176.8883 45 V 3.7549 7.3649 112.3716 62.0550 32.5758 176.6504 46 G 3.8465 7.5547 109.9948 46.0679 0.0000 174.0245 47 H 4.3027 7.3899 116.5630 55.3847 26.8950 174.3385 48 T 5.0078 7.7150 113.2680 59.6515 68.2074 175.2449 49 I 4.1212 7.8367 128.4992 61.1243 39.2268 174.4538 50 A 5.0860 8.4792 125.9748 50.3222 21.1268 175.9331 51 V 4.4365 8.7724 123.0445 60.9896 34.8865 173.8992 52 Y 4.6601 8.1862 128.9246 56.6686 39.6150 174.8186 53 N 4.6851 8.4262 125.5009 52.9302 37.8222 177.1580 54 G 3.9495 7.2079 109.8639 45.9323 0.0000 174.9556 55 K 4.1222 6.8305 119.0637 57.3418 33.5319 175.5068 56 Q 4.6164 8.1586 115.1219 55.3924 32.4567 173.1780 57 H 4.4639 8.9133 117.0191 55.7455 28.6474 175.6113 58 V 4.1053 9.3941 119.5441 60.0838 32.9564 174.0427 59 P 4.9952 0.0000 0.0000 62.3559 32.4613 175.8480 60 V 4.4172 8.3041 122.3130 61.1222 34.4658 172.9610 61 Y 4.1257 9.1844 125.2239 57.5974 37.7405 175.1272 62 I 3.1065 8.4833 123.5448 59.8301 39.8287 170.3057 63 T 4.8076 7.8305 123.6923 59.8490 70.8439 173.9980 64 E 4.0750 8.9747 119.3995 59.5244 29.7584 177.7449 65 N 4.2302 8.3261 116.1830 55.6939 38.6505 174.5849 66 M 4.5445 7.5133 115.0024 54.1219 31.3156 174.5132 67 V 4.1974 8.3017 121.1687 64.2939 33.7368 176.9118 68 G 3.6711 8.1167 107.4791 48.4621 0.0000 173.8061 69 H 4.2998 7.9396 116.4501 56.1238 29.6693 174.6283 70 K 4.7218 8.9755 121.1476 55.1872 33.5009 178.1112 71 L 4.0434 8.7603 120.9996 58.1911 42.2275 179.9134 72 G 4.0330 8.5522 107.1551 48.9175 0.0000 175.0476 73 E 3.9295 7.8675 118.0063 58.2372 29.9762 177.6406 74 F 4.6734 8.3955 117.8206 55.7974 39.5870 176.2699 75 A 4.7731 7.4148 119.3959 51.0200 21.6941 175.0452 76 P 4.3300 0.0000 0.0000 62.6171 32.4315 177.7654 77 T 4.0223 8.5219 112.3222 64.7097 69.3401 175.5845 78 R 4.1552 7.7216 120.5165 55.4851 30.8566 175.8347 79 T 4.4226 8.0896 117.7325 63.4686 70.2615 174.7619 80 Y 4.0495 8.6746 128.3722 58.2256 36.7375 170.8253 81 R 3.8130 7.6445 118.3901 56.4334 29.7503 177.6780 *82 G 3.7274 8.4351 111.0765 45.6448 0.0000 171.1046 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 3.90 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 5 L 8.94 3.91 0.00 1.67 2.03 1.13 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.73 4.58 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.17 1.25 7.81 7 K 8.37 4.57 0.00 1.70 1.76 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.50 7.81 8 G 7.16 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 0.00 0.00 0.00 0.00 9 V 8.11 4.22 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 0.91 0.00 0.00 0.93 0.00 0.00 10 F 8.14 4.20 0.00 3.30 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 11 V 7.16 3.74 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 0.61 0.00 0.00 0.86 0.00 0.00 12 D 8.68 4.37 0.00 2.61 2.32 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 13 D 8.78 4.56 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.68 0.00 3.31 3.40 0.00 5.47 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.33 4.62 0.00 1.61 1.62 0.91 0.46 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 16 L 7.63 3.97 0.00 1.90 1.68 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.79 3.87 0.00 2.04 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 2.32 2.36 0.00 18 K 8.10 3.63 0.00 1.89 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.53 7.81 19 V 7.38 3.47 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 1.05 0.00 0.00 0.83 0.00 0.00 20 L 7.85 4.01 0.00 1.78 1.71 0.91 1.12 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 21 E 8.99 4.12 0.00 2.16 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 2.33 2.50 0.00 22 L 8.21 4.09 0.00 1.96 1.75 0.96 0.50 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 8.17 4.70 0.00 2.92 2.91 0.00 0.00 6.97 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.39 4.52 1.30 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 0.00 0.00 25 K 9.20 4.07 0.00 1.84 2.53 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.23 7.81 26 G 7.78 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 0.00 0.00 0.00 27 E 8.44 4.75 0.00 1.89 1.90 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 2.24 2.28 0.00 28 K 7.43 4.87 0.00 1.75 1.51 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.43 7.81 29 R 8.39 4.46 0.00 2.04 2.06 0.00 3.10 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 30 L 8.02 4.08 0.00 1.61 1.67 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.49 4.53 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 0.87 0.00 0.00 32 K 8.20 4.53 0.00 1.30 0.75 0.00 1.58 0.00 0.00 1.22 0.00 0.00 2.62 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.15 1.10 7.81 33 T 6.87 3.78 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 1.18 0.00 0.00 34 W 9.00 4.96 0.00 3.46 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 8.29 4.67 0.00 3.99 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 36 R 8.01 4.07 0.00 2.01 2.18 0.00 3.13 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 37 R 7.84 4.45 0.00 2.08 2.15 0.00 3.14 0.00 0.00 3.45 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 38 S 7.51 4.55 0.00 3.80 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 39 T 7.64 4.50 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 1.15 0.00 0.00 40 I 7.78 3.61 2.05 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 0.99 0.60 0.85 0.00 0.00 41 V 8.20 4.02 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 0.93 0.00 0.00 0.93 0.00 0.00 42 P 0.00 4.20 0.00 2.05 1.97 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 43 E 8.73 3.74 0.00 2.07 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 2.16 2.24 0.00 44 M 7.58 4.56 0.00 1.92 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 45 V 7.36 3.75 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 0.65 0.00 0.00 0.88 0.00 0.00 46 G 7.55 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 0.00 0.00 0.00 47 H 7.39 4.30 0.00 3.34 3.14 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.72 5.01 4.35 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 1.21 0.00 0.00 49 I 7.84 4.12 1.80 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 1.18 0.46 0.88 0.00 0.00 50 A 8.48 5.09 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 8.77 4.44 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 0.95 0.00 0.00 0.92 0.00 0.00 52 Y 8.19 4.66 0.00 2.60 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 53 N 8.43 4.69 0.00 2.91 2.92 0.00 0.00 6.59 7.23 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 54 G 7.21 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 55 K 6.83 4.12 0.00 1.51 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.29 7.81 56 Q 8.16 4.62 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 57 H 8.91 4.46 0.00 3.07 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.39 4.11 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 0.73 0.00 0.00 0.98 0.00 0.00 59 P 0.00 5.00 0.00 2.10 2.06 0.00 3.72 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 1.99 1.97 0.00 60 V 8.30 4.42 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 0.71 0.00 0.00 0.92 0.00 0.00 61 Y 9.18 4.13 0.00 3.02 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 62 I 8.48 3.11 1.66 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.40 0.00 0.00 63 T 7.83 4.81 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 64 E 8.97 4.07 0.00 2.13 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 0.00 2.31 2.36 0.00 65 N 8.33 4.23 0.00 2.79 3.04 0.00 0.00 6.85 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 7.51 4.54 0.00 2.30 1.84 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 67 V 8.30 4.20 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 0.83 0.00 0.00 1.04 0.00 0.00 68 G 8.12 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.94 4.30 0.00 3.51 3.78 0.00 5.61 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 70 K 8.98 4.72 0.00 1.89 2.06 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.70 7.81 71 L 8.76 4.04 0.00 1.74 1.77 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.55 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.87 3.93 0.00 2.24 1.78 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 2.36 2.40 0.00 74 F 8.40 4.67 0.00 3.07 3.07 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 0.00 0.00 0.00 75 A 7.41 4.77 1.26 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 0.00 0.00 76 P 0.00 4.33 0.00 2.16 2.04 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 77 T 8.52 4.02 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 7.72 4.16 0.00 1.84 1.92 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 79 T 8.09 4.42 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 80 Y 8.67 4.05 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 7.64 3.81 0.00 1.76 1.85 0.00 3.46 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 *82 G 8.44 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.