NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6645 8.3649 120.5313 54.8593 41.8004 175.4979 3 E 5.9800 8.6342 135.0000 56.3656 30.1042 177.8513 4 G 3.8504 8.5258 107.0075 47.7562 0.0000 175.3550 5 I 3.7623 7.8234 121.3752 64.6115 37.3031 178.4074 6 S 4.1947 7.9463 115.4681 61.3636 62.6280 176.5457 7 K 3.9304 8.1564 122.2480 59.5501 32.0997 178.8338 8 K 3.8986 8.1598 118.7495 59.5157 31.8939 179.0629 9 F 4.0433 8.6895 120.8399 61.2846 39.3692 177.0024 10 A 3.9671 8.6894 120.7758 55.1761 18.1356 179.7533 11 I 3.6303 8.0041 118.7391 64.5776 37.2013 178.7571 12 Q 4.1835 7.8069 119.6736 58.4043 28.3233 178.0830 13 L 3.6605 7.6226 122.5114 57.9814 41.9532 179.0480 14 L 3.9451 7.8901 118.8061 57.7010 41.6109 179.4300 15 E 3.9082 8.0729 118.6109 59.4307 29.4741 178.8598 16 D 4.3942 8.3894 118.4971 57.3802 41.2052 177.9869 17 D 4.3029 8.4356 119.5690 57.1602 40.8268 178.3794 18 A 3.9640 8.2500 121.6187 55.3975 18.1435 179.2934 19 E 3.9001 7.7816 115.3165 59.8498 29.6367 179.6266 20 R 4.0698 7.6649 116.4437 59.4354 30.4316 178.9429 21 I 3.9423 7.9761 119.6362 63.9880 36.9684 179.2911 22 K 4.2713 8.4227 118.3735 56.5571 31.8244 179.1102 *24 L 4.2533 7.9012 120.6244 55.0365 43.7890 179.4740 25 I 3.7323 7.8776 119.1831 64.3512 36.8357 178.7660 26 R 3.8910 8.2267 119.0811 59.3802 29.7413 178.6250 27 N 4.2699 8.1322 114.8538 56.9927 39.0481 176.2124 28 Q 4.0849 8.2269 119.7942 58.8244 28.6194 178.6660 29 K 3.9577 8.2958 120.0670 59.1621 32.2440 178.2391 30 N 4.7353 7.9848 114.6103 52.2082 39.0511 175.2072 31 S 4.2758 7.6691 116.3008 58.4358 63.2147 173.7902 32 L 4.5170 8.3027 124.9228 54.8359 41.8796 177.6416 33 C 3.8998 7.6068 119.6771 63.1766 31.1591 175.7748 34 I 3.6637 7.6038 120.0060 64.5203 36.8773 178.0513 35 S 4.0888 8.2011 113.3826 61.8347 62.0192 176.2637 36 Q 4.0109 8.6749 120.7206 59.1972 28.4851 178.4099 37 C 4.2441 8.0935 117.7149 62.8263 28.0719 176.4615 38 K 4.0122 8.4598 120.0836 59.2238 31.6955 179.1324 39 A 3.9982 8.2808 121.3691 55.2405 18.2857 179.4300 40 F 4.3174 8.2632 119.0002 61.4777 39.4995 176.5984 41 E 3.6656 8.2018 118.9500 59.5066 29.2837 178.5920 42 E 3.8796 8.2762 119.1397 59.1427 29.6056 178.7759 43 V 3.5503 7.7892 118.3372 66.0354 31.3142 178.2555 44 V 3.4072 7.1239 116.6284 65.9399 31.4297 177.1625 45 D 4.6501 7.7729 117.3689 58.0596 41.0403 178.9532 46 T 4.1615 7.9185 115.8833 66.5494 68.4745 177.3066 47 Q 4.1310 8.2074 116.5115 57.1648 28.3888 177.8225 *49 Y 4.2787 7.9163 120.4545 58.0458 39.8759 177.8629 50 G 3.6489 8.3823 106.4007 47.5182 0.0000 175.7099 51 F 4.3183 8.2719 122.8217 61.1554 39.4694 177.3392 52 S 3.6301 7.9888 112.3556 61.1223 62.1651 175.6034 53 R 3.8660 8.1352 121.6201 59.8409 29.7208 178.4828 54 Q 4.0783 7.6428 117.3446 58.7944 28.6565 178.6595 55 V 3.3743 7.3909 119.3178 66.2655 31.4177 178.1485 56 T 3.8009 7.7854 115.1732 66.8199 68.4650 175.7352 57 Y 4.3556 8.4029 121.5266 61.0124 38.7770 178.2086 58 A 3.7966 8.5144 121.7751 55.3015 18.3991 179.7824 59 T 4.0267 7.9721 115.6513 66.4399 68.3372 177.0378 60 R 3.9693 7.9580 118.7526 59.2166 30.1809 178.5539 61 L 4.2004 7.5926 116.5294 55.3616 41.8716 178.0542 62 G 3.9605 7.7566 106.9696 45.2166 0.0000 174.6089 63 I 3.8246 7.5127 121.1725 63.0896 37.0313 176.4043 64 L 4.9042 7.4983 118.9472 52.6903 44.4326 176.1171 65 T 4.1737 9.0838 112.8932 61.1002 71.0444 175.6464 66 N 4.3060 8.5932 118.4781 56.6760 38.5100 177.3872 67 D 4.3538 8.0177 119.6101 57.2843 41.0210 178.2774 68 E 4.0357 8.0532 118.8110 59.5141 29.5271 179.6635 69 G 3.6330 8.1345 105.4472 48.2654 0.0000 175.1862 70 H 4.2180 8.4456 121.0151 58.6604 29.7921 177.3300 71 R 3.8342 8.6472 121.0053 59.2977 29.9278 178.4229 72 L 4.0155 7.9325 118.7099 57.9849 41.6977 179.6165 73 L 3.9838 7.8794 118.8302 57.7587 41.5222 179.4260 74 S 4.0954 8.4342 113.5571 61.4291 62.1490 176.0580 75 D 4.3399 8.3049 121.6086 57.2229 40.5453 178.5190 76 L 3.9565 7.8703 119.4632 58.0342 41.5859 179.1144 77 E 3.8831 8.6081 119.3435 59.4889 29.2182 178.9556 78 R 3.9060 7.8367 117.8039 59.0152 30.5730 177.6037 79 E 4.0667 8.3992 119.4689 59.4247 29.4177 178.7032 80 L 4.0165 7.7904 117.3917 57.4861 42.1324 178.6597 81 N 4.7420 7.8028 114.7802 53.3938 39.5301 175.3152 82 Q 3.9593 7.8055 124.1323 56.5532 29.3997 173.9326 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 2 D 8.36 4.66 0.00 2.67 2.71 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 3 E 8.63 5.98 0.00 2.17 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 0.00 2.16 2.31 0.00 4 G 8.53 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 5 I 7.82 3.76 1.88 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 1.65 0.70 0.92 0.00 0.00 6 S 7.95 4.19 0.00 4.08 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 7 K 8.16 3.93 0.00 1.86 1.82 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 8 K 8.16 3.90 0.00 2.12 1.89 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.67 7.81 9 F 8.69 4.04 0.00 3.14 3.19 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 10 A 8.69 3.97 1.43 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 11 I 8.00 3.63 1.85 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 1.56 0.76 0.88 0.00 0.00 12 Q 7.81 4.18 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 13 L 7.62 3.66 0.00 0.98 1.55 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.89 3.95 0.00 1.89 1.66 0.90 0.79 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 15 E 8.07 3.91 0.00 2.12 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 2.29 2.54 0.00 16 D 8.39 4.39 0.00 2.76 2.71 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 17 D 8.44 4.30 0.00 2.89 2.68 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 0.00 0.00 0.00 0.00 18 A 8.25 3.96 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.78 3.90 0.00 2.17 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 2.55 2.50 0.00 20 R 7.66 4.07 0.00 1.96 1.99 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 21 I 7.98 3.94 1.96 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 1.73 0.93 0.91 0.00 0.00 22 K 8.42 4.27 0.00 1.96 1.81 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 *24 L 7.90 4.25 0.00 1.89 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.88 3.73 1.99 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 1.52 0.78 0.91 0.00 0.00 26 R 8.23 3.89 0.00 1.84 1.97 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 27 N 8.13 4.27 0.00 2.71 2.97 0.00 0.00 6.99 7.08 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 28 Q 8.23 4.08 0.00 2.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 29 K 8.30 3.96 0.00 1.72 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.63 7.81 30 N 7.98 4.74 0.00 2.79 2.83 0.00 0.00 6.97 8.36 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 31 S 7.67 4.28 0.00 4.05 3.74 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 0.00 0.00 0.00 0.00 32 L 8.30 4.52 0.00 1.78 1.65 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.61 3.90 0.00 2.96 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 34 I 7.60 3.66 1.88 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 0.76 0.92 0.00 0.00 35 S 8.20 4.09 0.00 3.89 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 0.00 36 Q 8.67 4.01 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 37 C 8.09 4.24 0.00 3.18 3.04 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 0.00 0.00 0.00 0.00 38 K 8.46 4.01 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.61 7.81 39 A 8.28 4.00 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 40 F 8.26 4.32 0.00 3.14 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 41 E 8.20 3.67 0.00 2.07 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 0.00 2.27 2.28 0.00 42 E 8.28 3.88 0.00 2.18 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 2.28 2.28 0.00 43 V 7.79 3.55 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 1.08 0.00 0.00 1.06 0.00 0.00 44 V 7.12 3.41 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 0.78 0.00 0.00 0.23 0.00 0.00 45 D 7.77 4.65 0.00 2.84 2.78 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 0.00 0.00 0.00 46 T 7.92 4.16 4.39 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 1.23 0.00 0.00 47 Q 8.21 4.13 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 *49 Y 7.92 4.28 0.00 3.27 3.11 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 0.00 0.00 0.00 0.00 50 G 8.38 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 51 F 8.27 4.32 0.00 3.15 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 52 S 7.99 3.63 0.00 3.78 3.75 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 0.00 0.00 0.00 53 R 8.14 3.87 0.00 2.07 2.13 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 54 Q 7.64 4.08 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 55 V 7.39 3.37 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 0.91 0.00 0.00 0.17 0.00 0.00 56 T 7.79 3.80 4.40 0.00 0.00 0.00 0.00 0.00 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 57 Y 8.40 4.36 0.00 3.00 3.12 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 0.00 0.00 0.00 0.00 58 A 8.51 3.80 1.28 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 59 T 7.97 4.03 4.40 0.00 0.00 0.00 0.00 0.00 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 60 R 7.96 3.97 0.00 2.00 2.06 0.00 3.34 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 61 L 7.59 4.20 0.00 1.57 1.55 0.10 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.76 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 63 I 7.51 3.82 1.93 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 1.23 0.48 0.86 0.00 0.00 64 L 7.50 4.90 0.00 1.64 1.51 0.88 0.69 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 65 T 9.08 4.17 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 66 N 8.59 4.31 0.00 2.74 2.90 0.00 0.00 6.81 8.08 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 67 D 8.02 4.35 0.00 2.69 2.73 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 68 E 8.05 4.04 0.00 2.27 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 2.34 2.34 0.00 69 G 8.13 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 70 H 8.45 4.22 0.00 3.20 3.53 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.65 3.83 0.00 1.88 2.11 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 72 L 7.93 4.02 0.00 1.92 1.79 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.88 3.98 0.00 1.65 1.65 0.84 0.72 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 74 S 8.43 4.10 0.00 3.65 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 75 D 8.30 4.34 0.00 2.90 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 76 L 7.87 3.96 0.00 1.90 1.73 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.61 3.88 0.00 2.01 2.16 0.00 0.00 0.00 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 2.32 0.00 78 R 7.84 3.91 0.00 2.05 1.93 0.00 3.33 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 79 E 8.40 4.07 0.00 2.28 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 2.30 2.40 0.00 80 L 7.79 4.02 0.00 1.84 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 81 N 7.80 4.74 0.00 2.64 2.82 0.00 0.00 7.15 8.64 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 82 Q 7.81 3.96 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.