NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.2579 0.0000 0.0000 61.6795 32.7776 175.1543 5 A 4.0681 8.6425 123.1436 51.7615 18.3737 174.3175 6 E 5.8777 8.8425 132.1118 56.8889 30.7179 177.5247 7 R 3.8980 7.3208 119.9004 59.5250 29.8196 178.0199 8 L 3.8914 8.1851 117.9666 57.6074 41.2411 179.2798 9 A 3.9660 7.7035 120.0861 55.0051 18.6017 178.9776 10 E 4.0219 7.9874 117.2069 59.6409 29.9105 178.8704 11 L 4.0031 7.9570 118.8386 57.7942 41.3024 179.1109 12 D 4.5384 8.2380 117.9182 56.8024 41.1621 178.3076 13 G 3.7699 7.9729 105.9355 47.9561 0.0000 175.5374 14 V 3.9416 8.0012 121.0489 65.3117 31.3080 177.7494 15 L 4.2460 7.9805 117.5200 55.9408 41.7639 178.3652 *17 Q 4.2671 8.0540 118.3653 55.7971 30.8060 177.3969 18 Y 3.9276 7.9102 113.1624 61.0723 38.3248 177.1745 19 L 4.1329 8.4550 120.0614 57.6253 41.5158 178.3969 20 L 4.3786 7.2618 118.4324 56.7811 42.0286 178.1180 21 E 4.4209 7.9205 122.8742 56.0324 29.1066 178.5896 22 A 4.3148 9.1794 117.7866 52.4253 22.0289 177.2475 23 D 4.3149 7.9771 115.4242 56.4338 39.4020 172.7925 24 L 4.5804 8.3747 122.1914 55.6078 44.8556 177.8540 25 L 3.9674 8.1730 118.6968 57.7849 41.8057 179.1694 26 R 3.8871 8.2013 113.7116 59.3307 28.9348 177.1146 27 E 4.2733 8.1526 114.8238 56.2923 29.9102 176.4891 28 L 4.2784 7.4867 119.4962 52.9870 42.7568 175.0679 29 P 4.5381 0.0000 0.0000 61.4663 32.2057 175.0260 30 P 4.3731 0.0000 0.0000 65.5165 31.1965 176.6290 31 T 3.8433 7.0260 107.9851 59.0731 70.5194 172.6478 32 Y 4.7272 6.9379 121.1973 56.5096 41.1090 173.4285 33 R 4.7346 9.2578 119.5473 54.3418 32.6866 175.1659 34 L 4.7401 8.8586 127.2594 54.5612 43.1722 175.9425 35 V 4.1123 9.0084 127.7426 61.1295 33.1602 174.4942 36 L 4.7403 8.4217 129.1617 54.0262 42.5252 176.8981 37 L 4.5224 8.8112 125.6029 52.1682 43.5233 173.8807 38 P 4.7212 0.0000 0.0000 61.9995 30.7613 177.2102 39 L 4.0322 8.7473 126.2649 56.8197 41.7952 178.3957 40 D 4.9845 8.1009 115.9544 52.8962 39.9162 176.6497 41 E 4.6400 8.0871 120.4618 52.8422 30.2264 173.9742 42 P 4.2029 0.0000 0.0000 66.2773 31.1275 178.3393 43 E 3.9437 8.1788 117.9896 58.6233 29.4234 179.3878 44 V 3.6362 7.6393 117.4572 65.6524 31.9475 177.8216 45 A 3.9286 8.3791 120.7591 55.0410 18.2105 179.4861 46 A 3.8494 8.0128 119.3321 55.2100 18.3833 179.9463 47 Q 3.1347 7.2995 116.3027 58.7011 28.4647 178.7156 48 A 3.7698 7.0248 120.2007 55.0464 18.5250 179.1637 49 L 4.0117 7.7005 118.3699 57.7118 41.8794 178.9217 50 A 3.8840 7.0984 120.1877 55.0841 18.4090 179.5662 51 W 4.5910 7.0370 115.3276 59.3225 29.1829 177.7403 52 A 4.4979 7.5257 120.3013 52.3850 17.6482 177.7514 *54 E 4.3879 8.0230 116.0501 56.8956 31.0200 176.1569 55 A 4.8411 7.4661 121.4512 52.6666 19.3743 174.9529 56 P 4.6598 0.0000 0.0000 59.3476 32.3717 176.4461 57 N 4.2290 8.0896 122.7302 51.9879 36.9945 172.8005 58 P 4.2248 0.0000 0.0000 63.9381 30.6607 178.7143 59 E 4.5102 9.0877 114.7508 55.3916 31.7709 173.9082 60 G 4.5325 9.8471 112.9195 45.2172 0.0000 174.3393 61 W 5.0455 7.5300 116.3893 53.5083 28.6648 173.1375 62 P 5.2390 0.0000 0.0000 62.6670 32.5132 177.4649 63 S 5.0544 8.7023 116.3899 58.3960 64.7652 173.4356 64 V 4.5828 8.6977 122.6393 61.5185 34.3556 173.6259 65 Y 4.7575 8.8653 126.0105 56.5420 40.0563 174.6282 66 A 5.0015 8.9232 126.5824 50.1204 21.3856 175.1454 67 L 4.8590 9.0567 123.4415 55.3753 42.9654 176.5891 68 F 5.1187 9.1608 123.1330 55.8290 41.9403 175.2824 69 L 4.9942 8.9161 121.1961 54.7633 45.6537 176.8327 70 Q 3.3411 10.4719 122.0290 57.1632 26.8542 175.1275 71 G 4.1067 8.7846 101.9806 45.8289 0.0000 173.6600 72 R 4.7747 8.2647 115.5564 53.0567 32.6211 172.7239 73 P 3.4940 0.0000 0.0000 62.5139 31.8753 175.9550 74 I 4.2090 7.9423 121.6890 62.2088 39.6885 175.7707 75 R 4.5033 7.3291 118.9708 55.2085 33.3924 173.4161 76 L 5.2480 8.4619 123.7071 52.9209 44.7452 175.6768 77 L 4.5871 8.9527 124.2060 53.0611 43.7505 175.7193 78 L 4.4267 8.4631 125.1886 53.1550 42.2599 176.5799 79 L 3.7163 8.1462 126.8825 56.2449 41.9864 175.8589 80 G 4.0078 8.9929 113.0961 46.3008 0.0000 173.1319 81 K 4.6672 7.5078 118.3265 54.1236 36.3886 175.1264 82 E 4.7407 8.5016 120.5822 54.4587 32.3911 175.6390 83 V 4.2935 7.9309 122.1860 61.1484 34.1319 174.0993 84 E 4.1668 8.8333 128.7566 55.6961 30.2441 176.2681 85 V 3.9032 8.3278 124.7502 63.0468 31.6065 175.2245 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 P 0.00 4.26 0.00 2.22 2.06 0.00 3.60 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 2.02 2.10 0.00 5 A 8.64 4.07 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 6 E 8.84 5.88 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 7 R 7.32 3.90 0.00 2.04 1.99 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 8 L 8.19 3.89 0.00 1.79 1.73 1.12 0.89 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 9 A 7.70 3.97 1.34 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 0.00 0.00 0.00 10 E 7.99 4.02 0.00 2.06 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 2.41 2.43 0.00 11 L 7.96 4.00 0.00 1.58 0.98 0.54 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.24 4.54 0.00 2.86 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 3.77 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 0.00 0.00 0.00 14 V 8.00 3.94 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.06 0.00 0.00 15 L 7.98 4.25 0.00 2.37 2.03 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *17 Q 8.05 4.27 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.66 0.00 18 Y 7.91 3.93 0.00 3.22 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.13 0.00 1.74 1.78 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.26 4.38 0.00 1.72 1.54 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.92 4.42 0.00 2.05 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 2.32 2.24 0.00 22 A 9.18 4.31 1.27 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 0.00 0.00 0.00 23 D 7.98 4.31 0.00 2.74 2.64 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 24 L 8.37 4.58 0.00 1.90 1.61 0.94 0.63 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 25 L 8.17 3.97 0.00 1.81 1.75 0.99 0.92 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 26 R 8.20 3.89 0.00 1.91 2.09 0.00 3.02 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 27 E 8.15 4.27 0.00 1.95 1.99 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 2.30 2.26 0.00 28 L 7.49 4.28 0.00 1.77 1.43 0.72 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.54 0.00 2.30 1.98 0.00 3.44 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 30 P 0.00 4.37 0.00 2.06 2.13 0.00 3.65 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 1.82 1.88 0.00 31 T 7.03 3.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 32 Y 6.94 4.73 0.00 3.13 2.92 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 33 R 9.26 4.73 0.00 1.85 1.98 0.00 3.46 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.10 0.00 34 L 8.86 4.74 0.00 1.99 1.74 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.01 4.11 0.82 0.00 0.00 0.00 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 0.59 0.00 0.00 36 L 8.42 4.74 0.00 1.48 1.38 0.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.81 4.52 0.00 1.72 1.67 nan 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.72 0.00 2.06 2.03 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 39 L 8.75 4.03 0.00 1.80 1.77 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.10 4.98 0.00 2.74 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 41 E 8.09 4.64 0.00 2.00 1.86 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 2.22 2.23 0.00 42 P 0.00 4.20 0.00 2.24 2.32 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 43 E 8.18 3.94 0.00 2.07 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 2.40 2.42 0.00 44 V 7.64 3.64 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 1.02 0.00 0.00 0.92 0.00 0.00 45 A 8.38 3.93 1.39 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 0.00 0.00 46 A 8.01 3.85 1.29 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 0.00 0.00 0.00 47 Q 7.30 3.13 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 48 A 7.02 3.77 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 49 L 7.70 4.01 0.00 1.77 1.58 1.05 0.93 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 50 A 7.10 3.88 0.99 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 0.00 0.00 51 W 7.04 4.59 0.00 3.49 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.53 4.50 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.39 0.00 2.18 2.17 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 2.52 2.45 0.00 55 A 7.47 4.84 1.39 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 0.00 0.00 56 P 0.00 4.66 0.00 2.24 2.07 0.00 3.56 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 57 N 8.09 4.23 0.00 2.95 2.93 0.00 0.00 6.89 8.02 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 58 P 0.00 4.22 0.00 2.27 2.08 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 59 E 9.09 4.51 0.00 2.00 1.94 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 2.30 2.34 0.00 60 G 9.85 4.53 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 61 W 7.53 5.05 0.00 3.15 3.22 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 62 P 0.00 5.24 0.00 2.17 2.26 0.00 4.02 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 63 S 8.70 5.05 0.00 4.01 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 0.00 64 V 8.70 4.58 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 0.81 0.00 0.00 0.64 0.00 0.00 65 Y 8.87 4.76 0.00 3.08 2.93 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 66 A 8.92 5.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.06 4.86 0.00 1.59 1.65 0.92 0.89 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 68 F 9.16 5.12 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.92 4.99 0.00 1.58 1.48 0.91 0.99 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 70 Q 10.47 3.34 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.21 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 71 G 8.78 4.11 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 0.00 0.00 0.00 72 R 8.26 4.77 0.00 1.95 2.04 0.00 3.07 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 1.30 1.71 0.00 73 P 0.00 3.49 0.00 1.53 1.05 0.00 3.34 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.42 0.00 74 I 7.94 4.21 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.84 0.00 0.00 75 R 7.33 4.50 0.00 1.78 1.65 0.00 3.08 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 76 L 8.46 5.25 0.00 1.48 1.49 0.85 0.88 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 77 L 8.95 4.59 0.00 1.64 1.57 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.46 4.43 0.00 1.52 1.62 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.15 3.72 0.00 1.87 1.72 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.99 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 81 K 7.51 4.67 0.00 1.71 1.67 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 82 E 8.50 4.74 0.00 1.92 1.83 0.00 0.00 0.00 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 2.34 0.00 83 V 7.93 4.29 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 0.84 0.00 0.00 0.93 0.00 0.00 84 E 8.83 4.17 0.00 1.96 1.85 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 2.30 2.36 0.00 85 V 8.33 3.90 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 0.82 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.