NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2049 8.3049 120.3055 55.2664 32.9859 174.8444 2 Q 4.1285 7.7639 120.3757 53.2905 30.5472 174.5406 3 D 4.9471 8.3772 115.9528 53.2700 40.4659 174.6306 4 Y 5.2125 7.0257 116.2271 56.2211 41.8005 174.0907 5 T 4.8392 8.8338 116.0554 61.7967 71.8619 173.6970 6 V 4.5501 8.8043 126.1854 62.5154 33.2767 174.2285 7 H 5.2336 9.5743 125.9980 54.4829 30.7483 173.8043 8 I 4.7709 8.8567 125.7386 59.7096 38.9562 174.9556 9 V 4.8735 7.9589 127.4742 61.2123 33.4407 174.3450 10 D 4.5589 8.1578 124.0607 53.6960 44.0979 175.6877 11 D 5.2357 8.9855 124.5450 55.3118 40.0607 176.8770 12 E 4.2541 8.8590 120.9120 54.6132 28.8651 176.2512 13 E 3.8905 8.6683 125.4663 58.9710 29.7636 176.8594 14 P 4.2243 0.0000 0.0000 65.7773 31.3688 178.5814 15 V 3.5489 7.6783 117.6243 65.5858 31.5438 177.6725 16 R 3.8626 8.1850 118.7068 59.5453 29.8907 178.6782 17 K 4.0041 8.2133 118.2045 59.3650 32.0401 179.3083 18 S 4.0882 8.1194 113.3887 61.2825 62.3541 175.9257 19 L 3.9344 7.9256 122.7104 58.1825 41.8320 178.6342 20 A 3.9973 7.9801 120.6922 55.1657 18.3126 179.3082 21 F 3.9519 8.6965 119.4654 61.6646 39.4141 177.0319 22 M 4.0206 8.2311 117.7606 58.6572 32.0758 178.1893 23 L 4.0287 8.0779 119.1582 58.0144 41.6846 179.6135 24 T 4.1460 7.9350 117.0756 66.5079 68.2290 176.6891 25 M 3.9119 7.6169 118.7371 57.5428 31.8883 177.4786 26 N 4.8486 7.5843 114.5987 52.8364 39.0363 175.6415 27 G 3.8053 8.2541 109.1193 44.9549 0.0000 173.6201 28 F 4.8300 8.5663 117.9451 55.0010 41.7628 174.6429 29 A 4.5902 8.3617 122.7557 51.1469 20.0872 176.5087 30 V 4.8505 8.3905 122.0763 60.8987 34.9377 174.4800 31 K 4.5739 8.9819 128.1617 54.9443 34.9552 175.0281 32 M 4.9849 8.5495 126.2711 54.7691 34.1499 175.1264 33 H 4.9883 8.8033 117.0576 54.5265 33.2062 174.8764 34 Q 4.2739 9.0186 120.1410 58.2000 29.5766 175.5963 35 S 4.8610 7.6961 112.0438 55.8397 67.0014 174.6330 36 A 4.1164 8.6843 124.6121 55.4137 18.0542 180.0526 37 E 3.9202 8.2228 116.4239 59.4825 29.7707 178.9990 38 A 4.0011 8.1398 120.8086 55.3863 18.4679 179.3321 39 F 4.0524 8.3599 118.8855 61.4561 39.1776 177.0295 40 L 3.8220 8.2217 119.0130 58.0923 41.9385 178.5372 41 A 4.1236 7.8474 119.5961 54.2111 18.5880 178.5891 42 F 4.2283 7.9457 118.4671 60.0424 39.7320 177.2741 43 A 3.4324 8.1459 121.1031 54.8573 17.7483 177.6961 44 P 4.2063 0.0000 0.0000 64.6456 31.4939 176.7628 45 D 4.4809 7.4281 116.1078 53.8627 41.5761 176.9222 46 V 3.7029 7.0383 120.4455 62.7873 31.4984 174.0149 47 R 4.2742 8.1074 125.4470 55.7012 32.0769 176.2863 48 N 4.9135 8.1078 121.2984 51.7215 38.9703 173.8705 49 G 4.7685 8.4182 108.5329 44.0660 0.0000 169.2720 50 V 4.6466 8.6716 120.8806 60.7336 34.5619 173.9436 51 L 4.7355 8.7962 130.5284 53.7690 43.9069 175.1839 52 V 4.5087 8.8811 126.7128 61.7298 33.4897 172.9637 53 T 4.7279 8.4157 128.6043 61.4369 70.5146 173.4922 *55 L 4.1901 8.8403 119.8842 55.7913 44.0401 179.3080 56 R 4.4614 7.9751 124.2160 55.0304 28.2764 176.7080 57 M 4.9654 7.5482 122.7394 52.9690 34.6722 175.6653 58 P 4.0346 0.0000 0.0000 65.0299 31.5065 176.1008 59 D 4.5536 7.3051 116.7581 54.7616 42.4477 175.6970 60 M 4.4968 8.2500 119.5810 54.3278 33.5456 177.4514 61 S 4.7037 9.7851 122.5969 57.6927 65.6806 175.5360 62 G 3.5984 8.8873 109.4022 47.9923 0.0000 176.2906 63 V 3.7075 7.7790 120.1501 65.6988 31.6882 177.7941 64 E 3.9825 8.5121 118.7159 59.1976 29.2757 178.9222 65 L 3.9791 8.1312 120.4213 58.2935 42.0703 179.0547 66 L 4.0446 7.8235 118.3018 57.9846 41.5678 179.7941 67 R 3.9450 8.1733 117.9237 59.3444 29.8616 178.8804 68 N 4.3762 8.7856 116.6267 56.2848 38.6285 177.4803 69 L 4.1215 8.5723 121.0044 57.5582 41.6655 179.4905 70 G 3.7900 8.4035 106.1166 48.2328 0.0000 175.2054 71 D 4.4303 7.8342 120.2008 56.9544 40.9441 178.4857 72 L 4.1999 7.4405 115.4239 54.4850 41.4577 177.0584 73 K 3.8645 7.9136 117.2773 57.4959 29.9997 175.3904 74 I 4.2225 7.5667 119.6242 59.7792 37.8961 175.3538 75 N 4.8505 8.6856 123.8733 51.5263 39.3172 174.5028 76 I 4.5611 8.0992 124.1664 58.1370 40.3376 173.7640 77 P 4.3537 0.0000 0.0000 63.6227 32.1084 175.3488 78 S 5.1937 8.7046 119.1368 56.6007 67.2550 172.7497 79 I 4.8809 9.0704 124.3092 59.4868 40.2914 174.4870 80 V 4.7335 8.5319 127.1206 61.1620 33.2172 174.4800 81 I 4.8182 7.7908 121.1211 59.6277 40.1784 174.5775 82 T 4.1845 8.3062 116.2588 61.7777 71.1587 173.6582 83 G 4.1104 8.7241 112.9602 45.6169 0.0000 173.0490 84 H 5.0013 8.3039 117.0130 55.2424 29.5203 173.4686 85 G 4.2828 7.8405 108.5227 44.8928 0.0000 172.7580 86 D 4.4970 8.1462 116.8759 51.2646 42.6099 176.6795 87 V 3.4955 8.1039 119.2287 65.9419 31.3724 175.7756 88 P 4.1555 0.0000 0.0000 66.2153 31.1919 178.2406 89 M 3.9670 9.0713 116.6067 58.4592 32.1820 178.1077 90 A 2.0000 7.5741 121.0257 54.4225 18.3985 179.8239 91 V 3.4232 7.6003 116.7483 65.9517 31.6110 177.8400 92 E 3.8731 8.0511 118.9243 59.0737 29.4081 178.8165 93 A 3.9816 7.9666 120.8083 55.5283 18.5476 179.4744 94 M 4.0153 7.7253 116.7359 58.5951 31.7567 179.2605 95 K 4.0095 7.9865 117.5518 59.1435 32.3408 178.7408 96 A 4.2178 7.7694 119.0695 52.6161 18.4032 177.8702 97 G 3.9542 7.8434 104.1210 44.8088 0.0000 174.5883 98 A 4.2117 7.8222 123.0513 52.6147 18.8216 177.9084 99 V 3.9130 8.6150 121.4000 65.0159 32.4434 175.2732 100 D 4.6040 7.6034 117.4117 53.6095 44.6933 174.1867 101 F 5.2013 8.7552 124.0210 56.8095 42.2066 173.4923 102 I 4.5480 8.4773 127.5717 59.4304 40.0609 174.9853 103 E 4.8530 8.8208 126.0664 55.8092 30.5674 176.2845 104 K 4.5581 9.2744 123.9735 54.9971 33.4077 175.0028 105 P 4.4312 0.0000 0.0000 61.5744 32.8839 174.9482 106 F 5.0489 7.0582 113.2308 54.7509 41.2432 174.5239 107 E 4.3214 8.5972 120.6576 56.0705 30.4602 177.8759 108 D 4.5157 8.8989 121.4770 58.0090 40.8081 179.2517 109 T 3.9202 8.0482 109.6687 64.7929 68.5006 176.3919 110 V 3.5037 7.5978 120.4004 65.9956 31.5818 177.9655 111 I 3.4420 7.6096 117.8274 63.7100 37.7712 177.6045 112 I 3.5006 7.8042 120.7642 64.5078 36.9769 178.1152 113 E 3.9615 8.4234 119.2046 59.4349 29.3008 179.3778 114 A 3.9354 8.0335 120.6569 55.1509 18.4348 179.7620 115 I 3.5752 7.9880 118.6397 64.6188 36.9593 178.5581 116 E 4.1523 8.2608 118.3510 59.4665 29.4913 179.4387 117 R 4.0133 8.2755 118.0272 59.1649 30.2020 178.7713 118 A 4.0635 8.4602 121.2364 55.2488 18.1970 179.6245 119 S 3.9428 7.9822 111.9022 60.6884 62.7887 176.1035 120 E 4.0351 7.9487 121.6578 58.8844 29.2864 178.1497 121 H 4.4105 7.8868 116.0630 58.1040 28.8913 175.2478 122 L 4.1324 7.3194 124.5881 55.3343 41.6015 176.9069 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 1 M 8.30 4.20 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 2 Q 7.76 4.13 0.00 1.42 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.88 0.00 0.00 0.00 0.00 0.00 1.88 2.17 0.00 3 D 8.38 4.95 0.00 2.81 2.76 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 0.00 0.00 0.00 0.00 4 Y 7.03 5.21 0.00 3.21 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 5 T 8.83 4.84 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 6 V 8.80 4.55 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 0.98 0.00 0.00 1.09 0.00 0.00 7 H 9.57 5.23 0.00 3.03 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.86 4.77 1.86 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 1.08 0.97 0.90 0.00 0.00 9 V 7.96 4.87 1.93 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 0.73 0.00 0.00 0.59 0.00 0.00 10 D 8.16 4.56 0.00 2.62 2.45 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 11 D 8.99 5.24 0.00 2.82 2.80 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 12 E 8.86 4.25 0.00 2.17 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 2.30 2.31 0.00 13 E 8.67 3.89 0.00 1.99 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 2.39 2.35 0.00 14 P 0.00 4.22 0.00 2.28 2.27 0.00 3.63 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 2.05 2.00 0.00 15 V 7.68 3.55 2.20 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 1.02 0.00 0.00 0.97 0.00 0.00 16 R 8.18 3.86 0.00 2.00 2.15 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 17 K 8.21 4.00 0.00 2.10 1.84 0.00 1.86 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 18 S 8.12 4.09 0.00 4.00 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 19 L 7.93 3.93 0.00 1.83 1.66 1.00 1.08 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 20 A 7.98 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.70 3.95 0.00 3.25 3.28 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 22 M 8.23 4.02 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.77 0.00 23 L 8.08 4.03 0.00 1.72 1.64 0.81 0.30 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 24 T 7.94 4.15 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 1.10 0.00 0.00 25 M 7.62 3.91 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 26 N 7.58 4.85 0.00 3.03 3.07 0.00 0.00 7.27 8.99 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 27 G 8.25 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 4.83 0.00 3.16 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 29 A 8.36 4.59 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 4.85 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 0.81 0.00 0.00 0.97 0.00 0.00 31 K 8.98 4.57 0.00 1.78 1.54 0.00 1.55 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.21 7.81 32 M 8.55 4.98 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 33 H 8.80 4.99 0.00 3.07 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.02 4.27 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 35 S 7.70 4.86 0.00 4.24 3.98 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 36 A 8.68 4.12 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 37 E 8.22 3.92 0.00 2.11 2.05 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 2.43 2.47 0.00 38 A 8.14 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 4.05 0.00 3.04 3.09 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 0.00 0.00 0.00 40 L 8.22 3.82 0.00 1.91 1.93 0.94 1.42 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 41 A 7.85 4.12 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 42 F 7.95 4.23 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.15 3.43 1.02 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 44 P 0.00 4.21 0.00 1.88 2.02 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 45 D 7.43 4.48 0.00 1.75 2.37 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 46 V 7.04 3.70 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 0.88 0.00 0.00 0.87 0.00 0.00 47 R 8.11 4.27 0.00 1.87 1.78 0.00 3.38 0.00 0.00 3.20 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 48 N 8.11 4.91 0.00 2.77 3.01 0.00 0.00 6.49 7.59 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 49 G 8.42 4.77 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 50 V 8.67 4.65 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.57 0.00 0.00 51 L 8.80 4.74 0.00 1.69 1.46 0.26 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.88 4.51 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 0.89 0.00 0.00 0.84 0.00 0.00 53 T 8.42 4.73 4.07 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 1.16 0.00 0.00 *55 L 8.84 4.19 0.00 1.89 1.66 1.11 1.03 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 56 R 7.98 4.46 0.00 1.87 1.74 0.00 3.26 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 57 M 7.55 4.97 0.00 1.98 2.20 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 2.50 2.70 0.00 58 P 0.00 4.03 0.00 2.07 2.04 0.00 3.67 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 2.03 2.17 0.00 59 D 7.31 4.55 0.00 2.88 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 60 M 8.25 4.50 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 61 S 9.79 4.70 0.00 4.20 4.09 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 0.00 0.00 0.00 62 G 8.89 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.71 2.13 0.00 0.00 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 1.03 0.00 0.00 64 E 8.51 3.98 0.00 2.22 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 2.35 2.34 0.00 65 L 8.13 3.98 0.00 1.88 2.01 1.17 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.82 4.04 0.00 1.94 1.73 0.95 0.73 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 67 R 8.17 3.95 0.00 2.01 1.99 0.00 3.13 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 1.66 1.68 0.00 68 N 8.79 4.38 0.00 2.92 2.89 0.00 0.00 7.05 6.66 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 69 L 8.57 4.12 0.00 1.87 1.92 1.17 0.86 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 70 G 8.40 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 0.00 0.00 0.00 71 D 7.83 4.43 0.00 2.85 2.76 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 0.00 0.00 0.00 0.00 72 L 7.44 4.20 0.00 1.72 1.68 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.91 3.86 0.00 1.90 1.90 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.53 7.81 74 I 7.57 4.22 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.89 0.00 0.00 75 N 8.69 4.85 0.00 2.67 2.76 0.00 0.00 6.95 7.45 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 76 I 8.10 4.56 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.67 1.08 0.00 0.00 77 P 0.00 4.35 0.00 2.12 2.25 0.00 3.76 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 2.19 1.97 0.00 78 S 8.70 5.19 0.00 3.74 3.71 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 79 I 9.07 4.88 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.76 0.76 0.00 0.00 80 V 8.53 4.73 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 0.88 0.00 0.00 1.01 0.00 0.00 81 I 7.79 4.82 2.05 0.00 0.00 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 1.18 0.85 0.65 0.00 0.00 82 T 8.31 4.18 4.06 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 0.90 0.00 0.00 83 G 8.72 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 84 H 8.30 5.00 0.00 3.13 3.25 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.84 4.28 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 0.00 86 D 8.15 4.50 0.00 2.91 2.77 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 87 V 8.10 3.50 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 1.02 0.00 0.00 0.92 0.00 0.00 88 P 0.00 4.16 0.00 2.28 2.07 0.00 3.87 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 2.10 2.14 0.00 89 M 9.07 3.97 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 90 A 7.57 2.00 0.83 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 0.00 0.00 0.00 0.00 0.00 91 V 7.60 3.42 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 0.93 0.00 0.00 0.91 0.00 0.00 92 E 8.05 3.87 0.00 2.03 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 2.29 2.31 0.00 93 A 7.97 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 M 7.73 4.02 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.89 0.00 95 K 7.99 4.01 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 96 A 7.77 4.22 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 97 G 7.84 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 98 A 7.82 4.21 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 99 V 8.62 3.91 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 0.77 0.00 0.00 0.84 0.00 0.00 100 D 7.60 4.60 0.00 2.72 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.76 5.20 0.00 2.95 2.83 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 0.00 0.00 0.00 102 I 8.48 4.55 1.47 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 0.68 0.00 0.00 103 E 8.82 4.85 0.00 1.91 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 2.36 2.45 0.00 104 K 9.27 4.56 0.00 1.50 1.57 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.55 7.81 105 P 0.00 4.43 0.00 2.02 1.89 0.00 3.68 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 1.90 1.88 0.00 106 F 7.06 5.05 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.60 4.32 0.00 2.09 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 2.44 2.31 0.00 108 D 8.90 4.52 0.00 2.73 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 0.00 109 T 8.05 3.92 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 0.00 110 V 7.60 3.50 2.30 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 0.87 0.00 0.00 0.97 0.00 0.00 111 I 7.61 3.44 1.39 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.14 1.07 0.00 0.00 112 I 7.80 3.50 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 1.11 0.00 0.00 113 E 8.42 3.96 0.00 2.14 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 2.64 0.00 114 A 8.03 3.94 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 0.00 115 I 7.99 3.58 1.86 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.94 0.00 0.00 116 E 8.26 4.15 0.00 2.14 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 2.68 2.81 0.00 117 R 8.28 4.01 0.00 1.96 1.93 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 118 A 8.46 4.06 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 0.00 119 S 7.98 3.94 0.00 3.32 3.03 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 0.00 120 E 7.95 4.04 0.00 2.01 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 2.49 0.00 121 H 7.89 4.41 0.00 3.33 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.32 4.13 0.00 1.79 1.63 0.85 0.83 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 * Residues marked with a * may have inaccurate shift predictions.