NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3512 8.1885 115.2899 57.5020 62.4866 173.3674 4 A 3.8489 8.5804 129.3791 54.6993 18.5201 177.7440 5 D 4.4852 8.2616 114.9510 57.4125 42.3707 175.9757 6 Q 4.0680 8.1432 119.8247 59.0907 29.4498 178.5686 7 L 4.2361 7.7799 117.0738 55.6414 41.6394 178.5778 *9 S 4.4243 8.1728 115.1892 58.2478 65.0242 175.9975 10 D 4.3276 8.4680 120.2587 57.4979 40.4804 178.9033 11 I 3.6733 7.6270 120.0195 64.3465 37.0461 178.1653 12 Q 3.9294 8.0603 119.8346 59.3534 28.8729 178.3644 13 L 4.0001 7.9410 119.8058 57.7827 41.6404 179.6983 14 S 4.0715 8.1852 115.1128 61.7664 62.7847 176.7604 15 L 4.0173 8.6063 122.0470 57.9168 41.3373 179.5036 16 Q 3.9838 8.5690 119.7299 58.9569 28.8334 178.0369 17 A 4.2017 8.0995 122.0841 54.9293 18.3949 179.6417 18 L 3.8590 8.0699 117.6418 57.7911 41.6819 179.3335 19 F 4.0367 8.5007 120.7785 61.5368 39.2148 176.9819 20 Q 4.0396 7.9995 116.7051 58.9386 28.5804 178.8992 21 K 4.1460 7.6111 119.4579 58.3166 32.3894 177.9613 22 I 4.0657 7.4837 119.4616 62.7547 37.5899 177.6098 23 Q 3.7215 7.8405 119.9627 58.8126 29.0167 176.3221 24 P 4.3574 0.0000 0.0000 65.4038 31.4074 178.3981 25 E 4.2695 7.5594 113.8145 56.8730 28.9588 178.1360 *27 L 4.2763 7.9354 118.7535 54.3075 43.6762 178.0057 28 E 4.0488 8.3652 119.3843 59.2034 29.7058 178.9398 29 S 4.3870 7.9376 110.5858 58.8741 62.1004 175.3350 *31 E 4.2835 8.2688 120.3805 55.7808 31.1469 178.2155 32 K 3.9850 7.8010 118.8406 59.3660 32.2754 177.5265 33 Q 4.1360 7.7599 115.2946 56.1720 28.7758 176.8987 34 G 3.9705 8.0324 106.3479 45.3157 0.0000 173.8245 35 V 4.6586 7.6483 111.4470 58.8937 34.1574 175.9391 36 T 4.5027 8.1388 113.2719 59.8349 72.0166 173.9625 37 P 4.2633 0.0000 0.0000 65.9175 31.3098 178.8435 38 A 4.0927 7.9543 118.9457 55.2050 17.9595 179.5399 39 Q 4.0296 8.0148 116.4289 58.9793 28.7657 178.7725 40 L 4.1221 8.3806 121.7799 58.1229 42.1719 178.7449 41 F 4.0414 8.5186 120.7308 61.1985 39.2769 177.3793 42 V 3.6727 7.9038 117.7724 65.9786 31.4068 177.9583 43 L 3.8389 8.1177 118.6054 57.7025 41.4436 179.5183 44 A 2.9262 7.8485 120.5148 54.9691 18.3554 179.7570 45 S 3.9180 7.6043 113.5846 61.6618 62.8544 176.9088 46 L 4.0570 7.5675 121.3594 56.9632 41.2968 179.1434 47 K 3.7794 7.4865 119.0611 59.1154 32.1255 178.6326 48 K 3.9925 7.6533 118.7339 59.6622 32.4053 177.9490 49 H 4.5543 8.0275 112.9326 55.3627 29.1047 175.4729 50 G 4.1280 8.1203 113.6355 45.2391 0.0000 173.5148 51 S 4.9705 7.5117 114.0862 55.7715 65.8917 172.5635 52 L 5.0228 8.4204 124.1770 52.7669 46.3535 176.2166 53 K 4.5150 9.5133 121.8261 56.3421 33.0875 178.5206 54 V 3.6045 8.4908 122.5073 66.3141 31.5537 178.8259 55 S 4.2053 8.0290 113.2988 61.0778 62.8661 176.3366 56 E 3.9529 7.9456 122.1052 59.3870 29.1963 178.8891 57 I 3.7603 7.3747 117.7980 64.3341 37.4900 177.8517 58 A 4.1225 8.0701 121.5456 55.1602 17.9418 179.2317 59 E 3.9048 7.7739 115.8870 59.4610 29.8243 180.8334 60 R 4.0766 7.6299 114.2982 56.2941 31.0902 177.2012 *62 E 4.1348 8.0331 114.9359 56.4543 30.5149 174.6632 63 V 4.5536 7.6718 110.6797 59.1104 36.6119 176.2513 64 K 4.2214 8.2897 119.8351 55.6294 32.8924 176.5667 65 P 4.2255 0.0000 0.0000 66.1636 31.3062 178.9996 66 S 4.1294 8.1485 111.9624 61.3615 62.5474 176.1723 67 A 3.9751 7.6662 123.5405 55.0992 18.2003 179.5023 68 V 3.6935 7.6582 115.0287 66.3902 32.0068 177.8363 69 T 4.0598 8.0583 115.6033 66.2624 68.3497 176.0709 70 L 4.2430 7.7320 120.5713 55.3975 42.3583 178.4993 *72 A 4.2909 8.0024 121.7623 51.8621 20.7270 179.4918 73 D 4.3609 8.2659 115.5961 57.6472 40.7159 179.3669 74 R 3.9090 7.8446 117.9003 59.3016 30.1216 179.1237 75 L 4.0010 7.8688 118.1949 57.8797 41.6266 179.1136 76 E 4.0923 8.7739 119.5714 59.3099 29.3446 178.5781 77 Q 3.9591 8.2207 118.9637 58.5507 29.1717 177.4785 78 K 4.2715 7.5519 116.8467 55.1964 32.7925 175.6784 79 N 4.2840 8.1437 116.9260 55.0030 37.7274 174.3864 80 L 4.7555 8.0998 117.4410 54.6928 44.0709 176.7836 81 I 5.1939 7.7309 109.9950 58.9673 41.4209 174.3528 82 A 4.8342 8.7303 123.3123 50.2458 22.3052 175.2370 83 R 5.1001 8.7190 119.3768 55.0090 32.1629 175.8635 84 T 4.7070 8.5764 111.8402 60.0878 72.8336 172.7781 85 H 4.8955 8.5535 119.4968 55.5873 29.4349 174.9595 86 N 4.8893 9.2623 121.4993 53.2921 39.4416 176.2718 87 T 4.2200 8.5944 115.4028 64.3260 69.6152 176.1787 88 K 4.0389 8.1608 121.4032 58.5970 32.3963 176.6625 89 D 4.5669 7.9954 119.6489 52.1948 42.8851 175.8643 90 R 4.1808 8.6455 124.2497 58.9130 29.6498 178.3170 91 R 4.0739 8.0455 117.2602 58.3576 30.5183 177.0488 92 V 4.2350 7.7091 111.5570 60.3712 33.7722 175.2548 93 I 4.7293 8.1987 124.5309 60.1055 38.9102 174.3687 94 D 5.1849 9.1021 127.5514 53.2561 42.7498 175.6951 95 L 4.9918 8.8185 122.7318 53.6881 44.5527 175.5875 96 S 4.8145 8.3800 114.4702 57.0039 66.9172 173.2365 97 L 4.7679 8.3372 120.9343 54.9077 42.4644 177.3492 98 T 4.2796 8.4135 113.5701 60.9501 70.7890 175.4672 99 D 4.3775 8.7997 120.7259 57.8236 40.7516 179.0708 100 E 4.1661 8.2137 118.4859 59.0736 29.4160 179.4745 101 G 3.6277 7.9922 105.9406 47.4733 0.0000 175.3027 102 D 4.4262 8.1842 120.4061 57.4532 41.2753 178.5633 103 I 3.7741 7.7534 120.1338 64.2379 37.0507 178.4142 104 K 4.0124 8.0607 120.6131 59.3673 32.0937 178.7568 105 F 4.2421 8.7061 121.4088 61.0093 39.1703 176.7211 106 E 3.7984 8.0496 118.7299 58.8928 29.4738 178.4579 107 E 3.9000 8.1658 118.7704 59.2751 29.5326 179.5235 108 V 3.5010 7.6916 118.3203 65.8460 31.5314 177.9076 109 L 3.7409 7.4807 119.8075 57.9347 41.7881 178.7375 110 A 4.0201 8.1550 121.0772 54.9470 18.3624 179.6312 111 G 3.6316 7.9699 104.2585 48.2891 0.0000 176.1006 112 R 3.9729 7.7729 119.3872 58.5636 30.0942 178.8844 113 K 4.0732 8.0979 118.7971 59.4910 32.3455 178.4436 114 A 4.2077 7.9936 119.9625 55.1058 18.3574 179.8462 115 I 3.8014 7.5047 113.6048 62.5062 36.9012 177.7520 *117 A 4.3606 7.9688 124.5380 52.1046 20.3917 180.0197 118 R 3.9667 7.7886 114.8076 59.3034 30.3370 178.4572 119 Y 4.3502 8.0718 116.1274 61.1983 38.1850 178.0021 120 L 4.2433 8.1792 119.4274 57.4487 41.5551 179.1867 121 S 4.2520 7.8464 112.6628 60.4860 63.0440 175.7395 122 F 4.2550 8.0359 119.9518 58.1466 39.1973 175.6152 123 L 4.4384 7.4764 119.6741 54.2272 42.0962 177.0076 124 T 4.2252 8.3952 113.0233 61.1271 69.6105 174.5185 125 E 4.1188 8.7258 121.2602 59.6570 29.9274 178.6991 126 E 4.1466 8.3570 117.8695 59.6716 29.7268 179.1618 127 E 4.3621 7.8370 118.0738 56.7553 29.4360 179.1175 *129 L 4.2730 8.1123 120.2063 55.0737 43.9261 179.3580 130 Q 3.9919 8.2033 117.2336 59.1486 28.6225 179.0717 131 A 3.9903 8.4247 121.6906 54.8051 18.3552 179.4324 132 A 3.9411 8.0052 118.9478 55.6720 18.5101 179.2228 133 H 4.0624 8.2167 116.5584 59.4977 29.9129 177.5656 134 I 3.7220 8.0516 122.0605 64.5915 36.8689 178.6216 135 T 3.8667 8.0534 110.4971 64.6133 68.5614 176.5493 136 A 3.9359 7.9804 123.6978 54.7639 18.4632 179.5300 137 K 3.8251 8.0869 118.1623 59.6229 32.2495 179.0389 138 L 3.9869 8.2349 119.3535 57.7478 41.5292 179.4152 139 A 4.0130 8.3149 121.0451 54.9065 17.7744 179.4552 140 Q 3.8432 8.3576 118.0926 59.4735 29.0083 178.4636 141 A 4.0199 7.8762 119.9921 55.0748 18.4193 179.1563 142 A 4.1032 7.8474 118.7284 55.2614 18.5675 179.4854 143 E 4.3072 8.1937 116.5014 58.0695 29.8854 177.8714 144 T 4.4028 7.3162 109.3370 60.2738 69.0101 174.4579 145 D 4.3312 8.1725 125.8676 53.7621 39.6761 175.6476 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 3 S 8.19 4.35 0.00 3.87 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 4 A 8.58 3.85 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 5 D 8.26 4.49 0.00 2.66 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 6 Q 8.14 4.07 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.19 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 7 L 7.78 4.24 0.00 1.80 1.79 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *9 S 8.17 4.42 0.00 4.09 3.93 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 10 D 8.47 4.33 0.00 2.82 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 11 I 7.63 3.67 1.86 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 1.41 0.98 0.90 0.00 0.00 12 Q 8.06 3.93 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 13 L 7.94 4.00 0.00 1.99 1.70 0.92 0.88 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 14 S 8.19 4.07 0.00 4.00 3.91 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 15 L 8.61 4.02 0.00 1.63 1.70 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.57 3.98 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 17 A 8.10 4.20 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 18 L 8.07 3.86 0.00 1.83 1.60 0.90 0.67 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 19 F 8.50 4.04 0.00 3.15 3.05 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 20 Q 8.00 4.04 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 21 K 7.61 4.15 0.00 1.95 1.86 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.27 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 22 I 7.48 4.07 1.74 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.46 0.78 0.00 0.00 23 Q 7.84 3.72 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 24 P 0.00 4.36 0.00 2.14 2.04 0.00 3.49 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 25 E 7.56 4.27 0.00 2.12 1.92 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 2.33 2.31 0.00 *27 L 7.94 4.28 0.00 1.81 1.74 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.37 4.05 0.00 2.05 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 2.24 0.00 29 S 7.94 4.39 0.00 3.93 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 *31 E 8.27 4.28 0.00 2.25 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 0.00 2.30 2.41 0.00 32 K 7.80 3.99 0.00 1.64 1.99 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 33 Q 7.76 4.14 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 34 G 8.03 3.97 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 0.00 0.00 0.00 35 V 7.65 4.66 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 0.92 0.00 0.00 0.98 0.00 0.00 36 T 8.14 4.50 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 1.23 0.00 0.00 37 P 0.00 4.26 0.00 2.22 2.21 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 38 A 7.95 4.09 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 39 Q 8.01 4.03 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 40 L 8.38 4.12 0.00 1.90 1.94 1.09 1.23 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 41 F 8.52 4.04 0.00 3.35 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 42 V 7.90 3.67 2.28 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 0.99 0.00 0.00 1.09 0.00 0.00 43 L 8.12 3.84 0.00 1.99 1.66 1.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.85 2.93 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 45 S 7.60 3.92 0.00 3.88 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 46 L 7.57 4.06 0.00 1.71 1.61 0.88 0.51 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 47 K 7.49 3.78 0.00 1.18 1.48 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.45 7.81 48 K 7.65 3.99 0.00 1.72 1.83 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.34 7.81 49 H 8.03 4.55 0.00 3.25 3.31 0.00 5.98 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.12 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.51 4.97 0.00 3.82 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 52 L 8.42 5.02 0.00 1.51 1.44 0.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.51 4.52 0.00 1.66 1.73 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 54 V 8.49 3.60 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 1.05 0.00 0.00 0.98 0.00 0.00 55 S 8.03 4.21 0.00 4.09 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 56 E 7.95 3.95 0.00 2.21 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 2.39 2.39 0.00 57 I 7.37 3.76 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.48 0.99 0.00 0.00 58 A 8.07 4.12 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 59 E 7.77 3.90 0.00 2.25 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 2.33 2.35 0.00 60 R 7.63 4.08 0.00 2.00 2.16 0.00 3.42 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 *62 E 8.03 4.13 0.00 1.93 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 2.26 2.30 0.00 63 V 7.67 4.55 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 0.64 0.00 0.00 0.89 0.00 0.00 64 K 8.29 4.22 0.00 1.77 1.71 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.39 7.81 65 P 0.00 4.23 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 66 S 8.15 4.13 0.00 4.04 4.13 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 0.00 0.00 0.00 0.00 67 A 7.67 3.98 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 68 V 7.66 3.69 2.21 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 0.92 0.00 0.00 0.96 0.00 0.00 69 T 8.06 4.06 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 70 L 7.73 4.24 0.00 1.78 1.78 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 8.00 4.29 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 73 D 8.27 4.36 0.00 2.92 2.74 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 74 R 7.84 3.91 0.00 1.91 1.99 0.00 3.14 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 1.66 1.91 0.00 75 L 7.87 4.00 0.00 1.83 1.73 0.95 0.86 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 76 E 8.77 4.09 0.00 2.04 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 2.31 2.31 0.00 77 Q 8.22 3.96 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 78 K 7.55 4.27 0.00 1.84 1.84 0.00 1.89 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.62 7.81 79 N 8.14 4.28 0.00 2.83 2.90 0.00 0.00 7.02 8.09 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 80 L 8.10 4.76 0.00 1.65 1.70 0.95 0.63 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 81 I 7.73 5.19 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 1.33 0.66 0.91 0.00 0.00 82 A 8.73 4.83 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 83 R 8.72 5.10 0.00 1.67 1.81 0.00 3.14 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 84 T 8.58 4.71 4.22 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 1.19 0.00 0.00 85 H 8.55 4.90 0.00 3.08 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 9.26 4.89 0.00 2.87 2.98 0.00 0.00 6.86 6.88 0.00 0.00 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 T 8.59 4.22 4.25 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 1.22 0.00 0.00 88 K 8.16 4.04 0.00 2.00 1.91 0.00 1.54 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.42 7.81 89 D 8.00 4.57 0.00 2.74 2.48 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 90 R 8.65 4.18 0.00 1.86 2.03 0.00 3.01 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 91 R 8.05 4.07 0.00 1.96 2.04 0.00 3.15 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 92 V 7.71 4.23 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 0.70 0.00 0.00 0.94 0.00 0.00 93 I 8.20 4.73 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.90 0.00 0.00 94 D 9.10 5.18 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.82 4.99 0.00 1.54 1.55 0.93 0.47 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 96 S 8.38 4.81 0.00 3.86 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 4.77 0.00 1.53 1.62 0.84 0.85 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 98 T 8.41 4.28 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 1.26 0.00 0.00 99 D 8.80 4.38 0.00 2.71 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 0.00 100 E 8.21 4.17 0.00 2.23 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 2.41 2.44 0.00 101 G 7.99 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 0.00 102 D 8.18 4.43 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.75 3.77 2.05 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 1.42 0.62 0.92 0.00 0.00 104 K 8.06 4.01 0.00 2.10 1.97 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.52 7.81 105 F 8.71 4.24 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 0.00 106 E 8.05 3.80 0.00 2.40 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 2.31 2.36 0.00 107 E 8.17 3.90 0.00 2.20 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 2.31 2.53 0.00 108 V 7.69 3.50 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 0.95 0.00 0.00 1.00 0.00 0.00 109 L 7.48 3.74 0.00 1.30 1.31 0.74 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.15 4.02 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 0.00 111 G 7.97 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 0.00 112 R 7.77 3.97 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 113 K 8.10 4.07 0.00 1.71 2.03 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 114 A 7.99 4.21 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 0.00 115 I 7.50 3.80 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.67 1.05 0.00 0.00 *117 A 7.97 4.36 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 0.00 118 R 7.79 3.97 0.00 1.85 1.83 0.00 3.12 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 119 Y 8.07 4.35 0.00 3.05 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 0.00 120 L 8.18 4.24 0.00 1.76 1.79 0.97 0.91 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 0.00 121 S 7.85 4.25 0.00 3.91 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 0.00 122 F 8.04 4.26 0.00 3.20 3.15 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 0.00 0.00 0.00 0.00 123 L 7.48 4.44 0.00 1.79 1.64 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.40 4.23 4.26 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 1.23 0.00 0.00 125 E 8.73 4.12 0.00 1.96 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 2.32 2.40 0.00 126 E 8.36 4.15 0.00 2.04 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 2.41 2.35 0.00 127 E 7.84 4.36 0.00 2.16 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 2.35 2.30 0.00 *129 L 8.11 4.27 0.00 1.90 1.76 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.20 3.99 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 131 A 8.42 3.99 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 0.00 132 A 8.01 3.94 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 0.00 133 H 8.22 4.06 0.00 3.23 3.48 0.00 5.59 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 0.00 134 I 8.05 3.72 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.71 0.92 0.00 0.00 135 T 8.05 3.87 4.25 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 1.28 0.00 0.00 136 A 7.98 3.94 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 0.00 137 K 8.09 3.83 0.00 1.73 1.92 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 138 L 8.23 3.99 0.00 1.86 1.70 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.31 4.01 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 0.00 140 Q 8.36 3.84 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 141 A 7.88 4.02 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 0.00 142 A 7.85 4.10 1.38 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 0.00 0.00 143 E 8.19 4.31 0.00 2.10 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 2.54 2.48 0.00 144 T 7.32 4.40 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 0.00 145 D 8.17 4.33 0.00 2.72 2.60 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 * Residues marked with a * may have inaccurate shift predictions.