NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.2210 8.3349 115.2690 58.3807 62.5752 172.8840 10 H 4.2491 8.3794 126.1387 53.6835 29.3670 174.3842 *12 F 4.7144 8.2410 123.2633 57.7631 40.7944 174.5775 13 S 4.8583 8.9823 117.3745 57.4022 64.3766 173.1140 14 D 4.5474 7.8098 116.3121 54.1675 44.2104 175.0123 15 C 5.4627 8.7060 124.8989 55.1502 48.1866 172.8748 16 R 4.5066 8.6852 119.8816 55.0218 32.0658 173.7357 17 F 4.0322 8.9165 121.1947 59.8894 39.8260 175.5526 18 G 3.6588 8.9987 114.9009 45.6574 0.0000 172.6299 19 S 5.0991 7.7617 112.7240 57.4037 66.4386 174.0027 20 V 5.1486 8.7835 118.7329 60.0457 36.5621 174.3325 21 T 5.2616 9.1884 119.7154 62.0881 71.4654 172.5108 22 Y 4.6641 9.0270 127.5728 56.0168 41.9510 175.6201 23 R 3.3893 8.9937 125.8574 57.3012 27.6510 177.3470 24 G 3.9156 8.3963 104.0099 45.2883 0.0000 173.5589 25 R 4.5430 7.6777 120.6471 54.2106 32.8105 174.1157 26 E 4.8079 8.5706 126.9668 55.7499 31.0596 174.7434 27 Y 4.5737 9.3661 124.2849 56.0828 40.9897 176.3270 28 R 4.9347 8.9983 121.9222 55.0045 30.6504 175.5706 29 S 4.7548 7.6597 111.3587 56.0825 66.1546 173.0616 30 D 4.7825 8.4733 120.7098 54.6464 41.7416 175.6761 31 I 4.7545 8.3869 114.4781 59.1771 42.0649 173.9086 32 V 4.5737 8.5560 122.8568 61.0903 33.9642 174.2464 33 V 4.2323 8.7812 129.2008 61.5112 32.8227 175.2657 34 H 4.8410 9.0073 125.9764 54.8051 29.6798 176.5656 35 V 3.9310 9.4722 121.5714 65.5024 31.2263 176.8158 36 D 4.5845 8.0557 115.8209 53.5501 39.5852 176.9172 37 G 4.0958 8.2686 109.1844 45.6337 0.0000 174.3209 38 S 4.4925 8.4366 116.1383 58.5204 64.3041 173.3730 39 V 4.9362 8.2356 121.0633 61.4613 34.1019 174.6292 40 T 4.8418 8.5531 116.5527 59.0278 72.6263 171.4582 41 P 4.6554 0.0000 0.0000 62.3606 32.1214 176.4287 42 R 3.8874 8.3279 124.5134 56.4066 30.9040 178.2832 43 R 4.6347 8.1818 127.5592 54.0426 27.3547 177.3970 44 K 4.0288 7.9495 121.5020 59.3320 32.4047 178.4041 45 E 3.9975 8.2219 118.5858 59.2222 29.2058 178.9840 46 I 3.7230 7.5878 119.4516 64.8322 37.2506 178.6541 47 S 4.2213 8.0315 115.1690 61.3764 62.7186 176.5386 48 R 4.1443 8.2309 121.6512 59.5176 29.5812 178.8627 49 R 3.8894 8.1407 117.5348 58.8116 30.1028 178.4044 50 K 3.9435 7.4682 118.6975 58.1945 32.3622 177.3794 51 Y 4.8650 8.3511 114.3328 56.9302 39.6265 176.7957 52 G 4.0122 10.0406 108.1400 45.3700 0.0000 173.0976 53 T 4.5197 7.3592 111.2446 61.2501 68.6628 173.0079 54 S 4.6548 8.5551 120.6147 58.6673 63.7316 175.0075 55 H 3.9689 8.3477 121.7360 57.7128 30.1483 174.3106 56 V 5.0697 6.9718 117.7288 60.4718 33.9113 174.0356 *58 A 4.6219 8.1639 119.4202 52.2140 19.6158 177.7073 59 E 3.3551 8.8064 120.2156 58.8418 29.7393 179.1367 60 E 3.9181 8.2288 118.3071 59.2914 29.2185 178.7981 61 E 4.0407 7.8597 117.8080 59.0509 29.6632 178.7051 62 L 4.1812 7.9785 118.6427 56.4113 41.9295 178.3747 63 E 3.8601 7.8095 120.1219 59.5398 29.2214 178.8405 64 E 4.6089 7.9880 116.6583 58.5921 29.9702 178.3934 65 L 4.2405 8.1166 120.4198 57.1693 41.8427 178.8848 66 L 4.0411 7.5393 117.5957 57.6698 41.4792 179.4080 67 E 4.0299 8.1096 118.1633 59.1687 29.6761 178.0466 68 E 4.1859 8.1559 115.8738 56.2989 30.1666 176.6594 69 K 3.7741 7.4101 117.6444 56.7951 29.8472 172.6865 70 P 4.6043 0.0000 0.0000 62.4997 32.8662 176.8951 71 E 4.3922 8.7980 118.5921 57.5385 30.4914 176.6340 72 S 4.5851 7.5955 112.4625 57.2751 66.1915 173.3398 73 I 5.0079 8.4050 127.2003 59.6749 40.0910 174.1576 74 I 4.8776 8.7550 128.1834 59.5695 39.8441 174.6714 75 I 4.7999 9.0281 127.8773 59.4459 40.0019 175.1457 76 G 4.1018 9.1508 116.6558 44.8775 0.0000 173.8136 77 S 4.2809 9.0822 120.9629 58.6032 64.0356 174.5312 78 G 4.2014 8.4950 107.2576 44.9178 0.0000 173.2196 79 V 3.9257 7.6882 118.2625 65.6729 30.4442 174.9942 80 H 4.4224 8.9004 124.1592 54.5470 26.0054 175.7843 81 G 4.3899 8.0329 105.7901 45.4803 0.0000 175.0430 82 A 4.0927 7.5550 123.9518 54.5995 18.7023 179.3830 83 L 3.9982 7.5204 119.8492 56.4641 42.1363 177.2935 84 E 4.7502 8.9572 123.3150 55.0609 33.4563 172.2840 85 T 4.1280 8.2018 117.5127 61.5097 70.1687 175.7784 86 G 3.9422 7.4983 115.7492 44.4320 0.0000 172.4021 87 F 4.5767 6.7282 114.2651 57.0384 39.9957 173.5171 88 R 4.7047 8.8309 119.2527 54.4686 31.4658 174.0408 89 S 4.6889 8.5085 118.5676 56.8392 65.5298 174.0328 90 D 4.5067 8.6121 120.0099 54.8403 39.8446 174.5092 91 A 4.3386 7.4483 119.3862 53.7738 19.2288 177.5069 92 T 4.2982 9.3640 119.2699 62.5968 69.7356 174.0340 93 V 4.6504 8.2710 127.2185 61.5853 32.8076 174.9603 94 L 4.7512 8.8068 126.3020 52.5123 46.8020 173.7458 95 P 4.5869 0.0000 0.0000 62.4225 32.2897 177.3906 96 T 3.7729 8.6622 120.0936 67.4545 68.0570 176.3212 97 C 4.3285 8.1432 116.7901 59.3481 34.4096 175.3764 98 E 4.0109 7.9412 119.3705 58.1790 29.4968 178.2798 99 A 3.9960 8.1484 121.8655 55.0025 18.3711 179.7174 100 I 3.2804 7.6891 111.6420 63.6846 37.5379 178.7801 101 K 4.0111 7.4702 117.3007 59.3892 31.9132 179.2666 102 R 3.9328 7.8630 118.6429 59.3987 29.9294 177.9651 103 Y 3.9932 8.2705 119.4276 60.9023 38.8996 177.6740 104 N 4.5616 8.7625 117.5480 56.4461 38.5968 176.9540 105 E 3.9414 8.2784 119.8989 59.7189 29.5895 179.3192 106 E 3.9049 8.1714 118.2096 59.4035 29.5630 179.5090 107 R 3.7085 8.0589 119.1415 59.5163 29.8613 178.7515 108 S 4.1156 8.2862 114.1524 61.2866 62.9159 175.7547 109 A 4.2877 7.6631 120.8847 52.4616 18.4819 178.1799 110 G 3.8972 7.9316 106.0531 44.7586 0.0000 174.2762 111 R 4.2201 7.6326 118.6422 56.0339 31.0830 177.6353 112 R 4.2028 10.1605 123.3775 56.1364 29.8330 175.2830 113 V 4.9993 8.2135 123.3206 60.9089 34.7523 173.8867 114 A 5.1118 8.7674 126.2525 50.6563 23.0521 174.6410 115 A 5.6463 8.8494 119.5900 51.0368 23.6941 175.5536 116 I 4.7436 8.2638 119.1188 59.6639 40.9230 174.5180 117 I 4.6294 8.8111 128.6623 59.5990 40.0745 174.1209 118 H 5.4469 8.6410 126.6667 54.0675 31.1713 175.4002 119 V 3.9804 8.9071 119.4566 62.8458 32.9724 175.5065 120 T 3.8986 6.7711 111.4137 59.3897 72.3784 174.2437 121 C 4.5318 8.8547 115.2729 59.1207 30.1050 173.1600 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 9 S 8.33 4.22 0.00 3.80 3.83 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 10 H 8.38 4.25 0.00 3.39 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 F 8.24 4.71 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 13 S 8.98 4.86 0.00 3.81 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 14 D 7.81 4.55 0.00 2.74 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 15 C 8.71 5.46 0.00 2.93 2.86 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 0.00 0.00 0.00 16 R 8.69 4.51 0.00 2.04 1.99 0.00 2.88 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 17 F 8.92 4.03 0.00 2.98 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 18 G 9.00 3.66 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 0.00 0.00 0.00 19 S 7.76 5.10 0.00 3.88 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 20 V 8.78 5.15 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 0.60 0.00 0.00 1.08 0.00 0.00 21 T 9.19 5.26 4.43 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 1.30 0.00 0.00 22 Y 9.03 4.66 0.00 2.48 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 0.00 23 R 8.99 3.39 0.00 1.68 1.76 0.00 2.98 0.00 0.00 3.04 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 24 G 8.40 3.92 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 0.00 0.00 0.00 25 R 7.68 4.54 0.00 1.81 1.76 0.00 2.94 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.21 0.00 26 E 8.57 4.81 0.00 1.99 1.74 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 2.25 2.36 0.00 27 Y 9.37 4.57 0.00 2.96 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 28 R 9.00 4.93 0.00 1.79 1.91 0.00 3.20 0.00 0.00 3.94 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 29 S 7.66 4.75 0.00 3.93 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 30 D 8.47 4.78 0.00 2.71 2.67 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 31 I 8.39 4.75 1.52 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.11 0.73 0.00 0.00 32 V 8.56 4.57 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 0.68 0.00 0.00 0.87 0.00 0.00 33 V 8.78 4.23 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 0.28 0.00 0.00 0.15 0.00 0.00 34 H 9.01 4.84 0.00 3.33 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.47 3.93 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 0.97 0.00 0.00 0.97 0.00 0.00 36 D 8.06 4.58 0.00 2.82 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 37 G 8.27 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.44 4.49 0.00 3.87 3.78 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 39 V 8.24 4.94 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 0.22 0.00 0.00 0.75 0.00 0.00 40 T 8.55 4.84 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 1.21 0.00 0.00 41 P 0.00 4.66 0.00 1.97 2.04 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 42 R 8.33 3.89 0.00 1.82 1.82 0.00 3.24 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 43 R 8.18 4.63 0.00 1.89 1.99 0.00 3.47 0.00 0.00 3.30 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 44 K 7.95 4.03 0.00 1.81 1.89 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.55 7.81 45 E 8.22 4.00 0.00 2.05 2.00 0.00 0.00 0.00 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 2.48 0.00 46 I 7.59 3.72 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 1.51 0.72 0.90 0.00 0.00 47 S 8.03 4.22 0.00 3.96 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 0.00 48 R 8.23 4.14 0.00 1.99 2.06 0.00 3.11 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 49 R 8.14 3.89 0.00 1.96 1.93 0.00 3.28 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 50 K 7.47 3.94 0.00 1.40 1.19 0.00 1.69 0.00 0.00 1.19 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.07 7.81 51 Y 8.35 4.87 0.00 3.20 2.89 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 52 G 10.04 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 53 T 7.36 4.52 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 1.27 0.00 0.00 54 S 8.56 4.65 0.00 4.06 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 0.00 55 H 8.35 3.97 0.00 3.25 3.32 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 6.97 5.07 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.72 0.00 0.00 *58 A 8.16 4.62 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 59 E 8.81 3.36 0.00 1.67 1.81 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 2.01 1.47 0.00 60 E 8.23 3.92 0.00 2.08 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 2.36 2.43 0.00 61 E 7.86 4.04 0.00 2.22 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 2.37 2.41 0.00 62 L 7.98 4.18 0.00 1.63 1.62 0.57 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.81 3.86 0.00 2.05 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 2.29 2.31 0.00 64 E 7.99 4.61 0.00 2.18 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 0.00 2.43 2.26 0.00 65 L 8.12 4.24 0.00 1.84 1.73 0.89 0.59 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 66 L 7.54 4.04 0.00 1.84 1.70 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.11 4.03 0.00 2.03 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 2.39 2.52 0.00 68 E 8.16 4.19 0.00 2.17 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 2.37 2.30 0.00 69 K 7.41 3.77 0.00 1.81 1.80 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.35 7.81 70 P 0.00 4.60 0.00 2.36 2.06 0.00 3.76 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 1.99 1.99 0.00 71 E 8.80 4.39 0.00 1.84 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 2.25 0.00 72 S 7.60 4.59 0.00 3.86 3.68 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 73 I 8.41 5.01 1.90 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 1.36 0.80 0.95 0.00 0.00 74 I 8.76 4.88 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.12 1.02 0.00 0.00 75 I 9.03 4.80 1.88 0.00 0.00 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 1.21 0.77 0.90 0.00 0.00 76 G 9.15 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.08 4.28 0.00 4.02 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 0.00 78 G 8.49 4.20 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 0.00 79 V 7.69 3.93 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 0.84 0.00 0.00 0.93 0.00 0.00 80 H 8.90 4.42 0.00 3.36 3.74 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.03 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 0.00 0.00 0.00 0.00 82 A 7.56 4.09 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 83 L 7.52 4.00 0.00 1.37 1.58 0.60 0.76 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 84 E 8.96 4.75 0.00 1.67 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 0.00 2.13 2.12 0.00 85 T 8.20 4.13 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 -0.20 0.00 0.00 86 G 7.50 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 0.00 0.00 0.00 87 F 6.73 4.58 0.00 3.07 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 88 R 8.83 4.70 0.00 1.81 1.72 0.00 3.27 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 89 S 8.51 4.69 0.00 3.83 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 90 D 8.61 4.51 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.45 4.34 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 92 T 9.36 4.30 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 1.22 0.00 0.00 93 V 8.27 4.65 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 0.73 0.00 0.00 0.89 0.00 0.00 94 L 8.81 4.75 0.00 1.56 1.46 0.92 0.84 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 95 P 0.00 4.59 0.00 2.15 1.97 0.00 3.89 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 96 T 8.66 3.77 4.15 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 1.06 0.00 0.00 97 C 8.14 4.33 0.00 2.94 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 98 E 7.94 4.01 0.00 2.16 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 2.35 2.35 0.00 99 A 8.15 4.00 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 0.00 100 I 7.69 3.28 1.44 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 1.61 0.49 -0.06 0.00 0.00 101 K 7.47 4.01 0.00 2.06 1.92 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.64 7.81 102 R 7.86 3.93 0.00 1.93 2.14 0.00 3.26 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 103 Y 8.27 3.99 0.00 3.23 3.27 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 0.00 104 N 8.76 4.56 0.00 3.08 2.98 0.00 0.00 7.09 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.28 3.94 0.00 2.18 2.00 0.00 0.00 0.00 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 2.49 0.00 106 E 8.17 3.90 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 2.30 2.29 0.00 107 R 8.06 3.71 0.00 1.18 1.73 0.00 3.12 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 108 S 8.29 4.12 0.00 4.08 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 0.00 109 A 7.66 4.29 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 0.00 110 G 7.93 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 0.00 0.00 0.00 111 R 7.63 4.22 0.00 1.76 1.85 0.00 3.32 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 112 R 10.16 4.20 0.00 1.69 1.91 0.00 3.08 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 113 V 8.21 5.00 1.84 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 1.09 0.00 0.00 0.92 0.00 0.00 114 A 8.77 5.11 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 0.00 115 A 8.85 5.65 1.19 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 0.00 0.00 116 I 8.26 4.74 1.86 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 1.29 0.64 0.89 0.00 0.00 117 I 8.81 4.63 1.78 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.15 0.77 0.00 0.00 118 H 8.64 5.45 0.00 3.17 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.91 3.98 1.84 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 0.69 0.00 0.00 0.81 0.00 0.00 120 T 6.77 3.90 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 0.78 0.00 0.00 121 C 8.85 4.53 0.00 3.30 3.51 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 * Residues marked with a * may have inaccurate shift predictions.