NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2659 8.2649 123.5769 52.5205 20.6362 177.3698 3 Q 4.2653 7.9043 115.7586 55.5319 28.7956 174.3069 4 Q 3.3129 6.9805 116.7932 59.7734 28.1208 174.3648 5 S 3.8468 6.9552 113.4590 57.7273 62.2756 171.9192 6 P 4.1090 0.0000 0.0000 62.5484 32.3438 177.4072 7 Y 3.7116 7.8683 113.1542 57.9903 35.6287 169.3241 8 S 4.0829 7.6890 114.9229 58.3474 62.7179 174.6338 9 A 3.9708 9.2629 129.4192 55.6362 18.4900 178.9382 10 A 3.0761 6.8384 109.1855 53.4823 19.7751 176.8272 11 M 4.5976 8.5446 112.7109 53.9194 33.4621 176.6942 12 A 4.2077 7.7851 117.0934 53.3780 18.1450 179.7051 13 E 4.1390 7.9178 117.8738 58.8367 30.1514 178.0020 14 Q 4.2662 8.0514 119.5430 59.5078 29.1635 178.5779 15 R 4.2153 8.0819 118.4394 59.5236 30.0975 178.5347 16 H 4.4425 7.7959 118.1012 59.3656 29.8194 177.2016 17 E 4.0708 9.1716 121.4021 59.0232 29.1488 179.2217 18 E 4.0398 8.7201 119.6216 58.8990 29.5390 178.7801 19 W 4.4519 8.7457 128.9042 60.8012 30.8306 178.0500 20 L 3.5617 8.0457 118.5947 57.5083 40.9457 179.5353 21 R 3.8389 7.6034 119.0840 59.0380 29.8650 178.3982 22 F 3.9284 7.7760 120.2053 61.1931 39.6115 176.9659 23 V 3.0263 7.0820 117.8713 66.2977 31.1253 177.8070 24 D 4.2216 7.7996 118.1665 56.9583 40.5371 178.5233 25 L 3.7752 7.6734 120.8900 58.0684 42.0885 178.7352 26 L 3.6479 7.5093 120.5394 57.7244 41.8800 178.6805 27 K 3.8915 7.5939 119.1315 59.7338 32.1170 178.4367 28 N 4.2848 8.0222 116.2165 56.1352 38.3762 176.9957 29 A 3.9134 7.9643 122.2509 55.6456 18.4428 179.1339 30 Y 3.9387 8.2170 115.2857 61.5697 37.7498 179.2749 31 Q 4.1676 7.9189 116.9782 58.0204 28.8042 177.4890 32 N 4.8117 7.7693 114.9641 51.9024 39.1436 174.2384 33 D 4.5496 7.9889 118.8341 55.8596 39.2290 174.1653 34 L 4.6903 7.9792 116.1668 54.6008 42.6833 178.6755 35 H 3.9613 7.9031 118.3687 58.4302 28.4242 176.8095 36 L 3.8625 7.3389 122.8332 57.4878 41.9718 177.1892 37 P 4.2741 0.0000 0.0000 65.5404 31.2525 177.9802 38 L 3.9272 7.7624 120.0331 58.1131 42.1412 178.9424 39 L 4.3036 8.3636 118.8228 57.2899 41.3192 178.8861 40 N 4.5001 7.8052 115.7771 55.3711 38.6298 176.8375 41 L 4.1676 7.7810 121.4145 58.2753 42.4138 178.4312 42 M 4.2773 8.4689 117.7471 56.2313 32.2117 176.3860 43 L 4.8699 7.0961 117.1507 52.9917 44.8550 176.4451 44 T 4.4589 8.5517 111.5557 60.0435 71.7157 174.0767 45 P 4.2482 0.0000 0.0000 66.0461 31.2931 178.4673 46 D 4.3518 8.0295 116.1466 57.3262 41.1880 178.0054 47 E 4.0055 7.8999 117.8959 59.2627 29.4916 179.4397 48 R 3.9505 7.9229 117.8169 59.3061 30.1464 178.9842 49 E 3.9410 8.1953 118.0271 59.4356 29.5280 179.1673 50 A 4.0317 8.1398 120.7657 55.3481 18.4817 179.7320 51 L 4.1420 8.1437 117.5821 57.5456 41.3725 179.9396 52 G 3.6328 7.9609 105.8198 48.2853 0.0000 175.9578 53 T 3.9274 7.9142 118.7025 66.2490 68.3039 177.0778 54 R 3.9744 8.1833 120.1145 59.2479 29.9824 179.4619 55 V 3.6538 7.7575 111.8521 64.3101 31.4047 178.8558 56 R 3.9005 7.7385 117.6180 59.2593 29.9677 179.0188 57 I 3.6722 7.8103 119.4852 64.5657 37.0466 178.6384 58 V 3.6043 8.0545 119.1993 65.8504 31.2818 177.6733 59 E 3.8998 8.4534 119.2154 59.5281 29.5938 178.7981 60 E 4.0036 8.4585 118.7500 59.2258 29.2036 179.4071 61 L 4.0608 7.8599 118.6395 57.5426 41.7467 179.1095 62 L 4.1327 7.5086 118.4899 57.7105 41.6009 179.0535 63 R 4.0476 8.3303 118.9019 57.5492 29.7922 177.2477 64 G 4.3558 7.6792 105.0758 46.3979 0.0000 173.4133 65 E 4.3378 7.6101 119.8941 56.2113 30.2806 175.5863 66 M 4.8520 7.5261 114.4366 52.6652 34.4711 175.6408 67 S 4.3743 8.5527 115.5437 58.5227 65.2765 175.3677 68 Q 4.0588 8.4872 120.7080 58.7467 27.9321 178.7539 69 R 3.8860 7.9403 119.6589 59.2449 30.0422 178.3454 70 E 3.9326 8.0755 118.4089 59.2903 29.4830 178.6317 71 L 3.8977 7.8380 120.4066 58.4207 42.0608 178.9746 72 K 3.8947 8.2274 119.2191 59.6164 31.5140 178.4856 73 N 4.3627 7.8028 115.9316 55.9228 38.3294 176.9571 74 E 3.9397 8.1641 119.9324 59.3816 29.9318 178.5126 75 L 4.3146 8.1840 116.1945 54.3488 42.0814 177.0496 76 G 3.7970 7.5172 105.5929 46.5682 0.0000 173.5103 77 A 4.6111 7.7635 121.7453 49.8917 21.4323 177.5157 78 G 4.0238 8.0608 107.8045 44.5209 0.0000 175.1418 79 I 3.6763 8.2149 119.5767 63.6012 37.9680 178.0443 80 A 4.0280 8.0212 121.5190 55.5561 18.0455 179.5610 81 T 3.9298 7.7690 114.2416 66.5133 68.4496 177.2066 82 I 3.7890 7.5494 121.6064 64.5219 37.2958 178.1865 83 T 3.8883 7.9672 116.5967 66.7290 68.2883 176.7364 84 R 4.0411 8.1529 120.0230 59.1862 30.0042 179.3823 85 G 3.5831 7.7923 105.4710 47.7479 0.0000 175.5334 86 S 4.1011 8.5715 116.2873 61.3603 62.3061 176.1521 87 N 4.3900 8.6086 119.4095 56.3866 38.0111 177.6856 88 S 4.1489 7.9821 115.8873 61.4691 63.3244 176.1787 89 L 4.1273 8.3268 123.4418 57.9699 41.5698 179.1394 90 K 3.9966 7.7574 117.4732 59.1404 32.0801 178.4962 91 A 4.2188 7.6017 118.6057 52.3947 19.1217 177.7090 92 A 4.1334 7.0697 120.2153 51.1025 19.3109 176.4788 93 P 4.4529 0.0000 0.0000 62.3392 33.4676 178.0740 94 V 3.6271 8.3762 119.5480 66.2482 31.4813 178.2303 95 E 3.9905 8.1735 117.7489 59.3443 29.3156 178.8789 96 L 4.0677 7.8994 119.5360 58.3966 42.3000 178.8255 97 R 4.0064 8.0135 118.1939 59.5148 29.8664 179.0754 98 Q 4.3025 8.1699 115.6990 58.4786 28.8685 177.7660 99 W 4.3859 8.1009 130.2819 60.0002 30.8487 177.9358 100 L 3.4695 8.4777 119.3945 57.7610 40.9405 179.0312 101 E 4.1107 8.0060 115.8255 57.9219 29.0626 178.0044 102 E 4.2975 7.8898 119.0852 58.4011 30.2865 178.6248 103 V 3.4570 6.7782 110.6614 64.2423 31.7891 177.3257 104 L 4.4342 7.4655 115.4077 54.9561 42.8111 175.8713 105 L 4.5194 7.3583 123.7117 55.3746 44.8349 176.9022 *106 K 4.1215 9.1861 130.2651 55.6424 32.3453 176.4780 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 A 8.26 4.27 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 3 Q 7.90 4.27 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 Q 6.98 3.31 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 5 S 6.96 3.85 0.00 3.75 3.79 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 0.00 0.00 0.00 0.00 6 P 0.00 4.11 0.00 2.19 2.20 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 7 Y 7.87 3.71 0.00 3.15 3.06 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 0.00 0.00 0.00 0.00 8 S 7.69 4.08 0.00 4.03 4.02 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 0.00 0.00 0.00 9 A 9.26 3.97 1.33 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 0.00 0.00 10 A 6.84 3.08 1.20 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 0.00 0.00 11 M 8.54 4.60 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 12 A 7.79 4.21 1.40 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 0.00 0.00 0.00 13 E 7.92 4.14 0.00 2.10 2.31 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 2.39 2.44 0.00 14 Q 8.05 4.27 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 15 R 8.08 4.22 0.00 1.93 2.03 0.00 3.18 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 16 H 7.80 4.44 0.00 3.41 3.52 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 9.17 4.07 0.00 2.29 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 2.36 2.41 0.00 18 E 8.72 4.04 0.00 2.18 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 0.00 2.36 2.56 0.00 19 W 8.75 4.45 0.00 3.40 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.05 3.56 0.00 1.81 1.58 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.60 3.84 0.00 2.06 2.01 0.00 3.11 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 22 F 7.78 3.93 0.00 3.16 3.02 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 0.00 0.00 0.00 23 V 7.08 3.03 1.76 0.00 0.00 0.00 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 -0.04 0.00 0.00 24 D 7.80 4.22 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 3.78 0.00 1.75 1.55 0.86 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.51 3.65 0.00 0.91 1.34 0.71 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.59 3.89 0.00 1.93 1.91 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.45 7.81 28 N 8.02 4.28 0.00 3.02 2.81 0.00 0.00 6.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.96 3.91 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 30 Y 8.22 3.94 0.00 3.10 2.95 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 31 Q 7.92 4.17 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 32 N 7.77 4.81 0.00 2.68 2.81 0.00 0.00 7.02 8.06 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 33 D 7.99 4.55 0.00 2.86 2.75 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 34 L 7.98 4.69 0.00 1.60 1.54 0.89 1.18 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 35 H 7.90 3.96 0.00 2.55 2.64 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.34 3.86 0.00 1.58 1.62 0.95 0.91 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 37 P 0.00 4.27 0.00 2.27 2.26 0.00 3.63 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 2.18 1.97 0.00 38 L 7.76 3.93 0.00 1.86 1.80 0.93 0.35 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 39 L 8.36 4.30 0.00 1.79 1.76 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.81 4.50 0.00 2.90 2.88 0.00 0.00 6.94 7.78 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 41 L 7.78 4.17 0.00 1.63 1.95 0.93 0.86 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 42 M 8.47 4.28 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.99 0.00 43 L 7.10 4.87 0.00 1.76 1.57 0.99 0.75 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 44 T 8.55 4.46 4.24 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 0.00 0.00 1.25 0.00 0.00 45 P 0.00 4.25 0.00 2.18 2.16 0.00 3.60 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 2.12 2.16 0.00 46 D 8.03 4.35 0.00 2.79 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 47 E 7.90 4.01 0.00 2.25 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 2.32 2.34 0.00 48 R 7.92 3.95 0.00 2.08 2.01 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 49 E 8.20 3.94 0.00 2.05 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 2.46 0.00 50 A 8.14 4.03 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 51 L 8.14 4.14 0.00 2.04 1.78 1.02 0.98 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 52 G 7.96 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 53 T 7.91 3.93 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 54 R 8.18 3.97 0.00 2.02 2.00 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 55 V 7.76 3.65 2.10 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 0.85 0.00 0.00 1.02 0.00 0.00 56 R 7.74 3.90 0.00 2.00 1.98 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 57 I 7.81 3.67 2.02 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 1.41 0.91 0.92 0.00 0.00 58 V 8.05 3.60 2.18 0.00 0.00 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 0.95 0.00 0.00 59 E 8.45 3.90 0.00 2.05 2.18 0.00 0.00 0.00 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 2.46 0.00 60 E 8.46 4.00 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 2.49 2.49 0.00 61 L 7.86 4.06 0.00 1.63 1.73 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.51 4.13 0.00 1.72 1.71 0.90 0.88 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 63 R 8.33 4.05 0.00 2.06 2.08 0.00 3.21 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 64 G 7.68 4.36 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 0.00 65 E 7.61 4.34 0.00 1.84 1.96 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 2.26 2.23 0.00 66 M 7.53 4.85 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 67 S 8.55 4.37 0.00 4.07 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 68 Q 8.49 4.06 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 69 R 7.94 3.89 0.00 1.92 1.92 0.00 3.22 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 70 E 8.08 3.93 0.00 2.27 1.97 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 2.33 2.31 0.00 71 L 7.84 3.90 0.00 1.95 1.76 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.23 3.89 0.00 1.86 2.10 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.70 7.81 73 N 7.80 4.36 0.00 2.96 2.84 0.00 0.00 6.61 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.16 3.94 0.00 2.20 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 2.32 2.36 0.00 75 L 8.18 4.31 0.00 1.72 1.70 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.52 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.76 4.61 1.25 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 0.00 0.00 78 G 8.06 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.21 3.68 1.87 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 1.57 1.20 0.91 0.00 0.00 80 A 8.02 4.03 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 81 T 7.77 3.93 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 1.21 0.00 0.00 82 I 7.55 3.79 2.01 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 1.64 0.49 0.95 0.00 0.00 83 T 7.97 3.89 4.41 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 1.21 0.00 0.00 84 R 8.15 4.04 0.00 2.03 1.98 0.00 3.12 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 1.65 1.82 0.00 85 G 7.79 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.57 4.10 0.00 3.91 4.04 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 87 N 8.61 4.39 0.00 2.81 2.85 0.00 0.00 7.12 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 88 S 7.98 4.15 0.00 4.06 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 89 L 8.33 4.13 0.00 1.98 1.76 0.95 0.55 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 90 K 7.76 4.00 0.00 2.04 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.68 7.81 91 A 7.60 4.22 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 92 A 7.07 4.13 1.35 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 0.00 0.00 0.00 93 P 0.00 4.45 0.00 2.19 2.11 0.00 3.65 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 2.13 2.16 0.00 94 V 8.38 3.63 2.10 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 1.09 0.00 0.00 0.95 0.00 0.00 95 E 8.17 3.99 0.00 2.10 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 2.40 2.44 0.00 96 L 7.90 4.07 0.00 1.80 1.88 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.01 4.01 0.00 1.96 2.01 0.00 3.20 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 98 Q 8.17 4.30 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 99 W 8.10 4.39 0.00 3.43 3.48 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 0.00 100 L 8.48 3.47 0.00 1.92 1.65 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.01 4.11 0.00 1.93 1.97 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 2.33 2.64 0.00 102 E 7.89 4.30 0.00 1.89 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 2.23 2.61 0.00 103 V 6.78 3.46 1.71 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 0.09 0.00 0.00 -0.11 0.00 0.00 104 L 7.47 4.43 0.00 1.66 1.58 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.36 4.52 0.00 1.64 0.77 0.91 0.73 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 *106 K 9.19 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.