NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 A 4.2988 8.2649 123.5753 50.6383 20.9360 176.4042 11 R 4.1107 7.8540 113.8023 54.0306 31.0400 173.9478 12 I 2.9936 7.6717 119.9040 61.3093 36.7221 172.2443 13 R 4.7196 8.1430 121.6584 54.2515 31.9524 175.7514 14 C 5.1029 8.2215 115.3631 54.2349 40.1728 172.2249 15 P 4.6111 0.0000 0.0000 62.0482 31.5731 176.5470 16 K 4.1586 8.4329 120.7622 58.0886 32.2760 177.4851 17 G 4.0630 9.3078 111.2910 44.9359 0.0000 172.7113 18 S 5.0346 7.8279 112.7833 56.4533 66.7357 173.4221 19 K 4.8564 9.3708 118.7016 54.5654 35.5430 175.7464 20 A 4.9588 8.5715 124.8360 51.6626 20.6680 176.5611 21 Y 3.8902 8.9021 118.6448 57.5084 42.9407 173.9299 22 G 3.4794 7.5849 116.4472 47.3092 0.0000 174.1572 23 S 4.6389 8.5445 118.9533 58.3571 63.4672 172.9850 24 H 4.9782 7.9916 116.2703 54.2119 33.0882 171.7004 25 C 5.2873 8.5179 117.4288 55.4414 38.2185 172.8006 26 Y 5.4681 9.3343 119.5385 56.3240 41.7869 174.5028 27 A 4.8222 9.2184 123.8000 50.3077 22.9856 174.5707 28 L 4.7192 8.2038 124.1413 53.5572 43.8357 175.4708 29 F 4.4621 8.5177 124.7603 55.7279 41.1542 176.4223 30 L 3.7811 8.5789 123.3572 56.4646 42.2386 177.1553 31 S 4.2756 8.0154 113.4553 57.3563 62.8824 172.0487 32 P 4.8139 0.0000 0.0000 63.1596 31.7722 175.8225 33 K 4.9504 9.3199 120.8029 54.4763 37.0251 176.0456 34 S 5.3379 8.6891 117.0437 57.7272 64.2238 175.0272 35 W 2.9452 8.8302 130.2515 60.4603 30.1434 178.1646 36 T 3.7054 7.9284 109.0894 65.0689 68.1429 175.9932 37 D 4.1680 7.9438 121.4531 56.5310 40.6607 178.6642 38 A 2.9176 7.7616 121.6663 54.8268 18.3117 179.1949 39 D 3.8101 7.3036 116.5632 57.2276 40.8987 178.4210 40 L 3.8287 7.4921 118.4559 57.5589 41.9791 179.0117 41 A 3.9563 7.8376 121.0050 55.3368 18.2819 179.0897 42 C 4.2017 8.2174 115.2659 60.0474 40.0415 175.9511 43 Q 4.1633 7.5608 119.2504 57.1673 28.2747 178.2648 44 K 4.0237 7.6057 119.2281 58.0297 32.5149 177.5479 45 R 4.1438 7.1915 118.0461 54.1267 31.2634 174.0513 46 P 4.3849 0.0000 0.0000 64.3347 31.4723 176.8083 47 S 3.7363 8.7829 119.6727 59.2420 60.5952 172.7559 48 G 4.0014 7.9749 107.5419 45.4631 0.0000 173.1690 49 N 4.4828 8.2623 116.3452 51.7744 43.8922 174.0098 50 L 4.3972 8.7991 121.2863 54.8505 42.5839 178.0918 51 V 3.7598 9.0026 122.7796 62.3875 32.2416 175.1938 52 S 3.3407 8.2872 118.0291 55.7957 64.6959 173.6619 53 V 4.1795 5.8523 122.9724 61.6330 31.8707 174.7152 54 L 4.7589 8.6863 127.0960 54.1769 42.1700 177.0260 55 S 4.1777 7.1099 112.4935 56.1771 66.2454 176.4934 56 G 3.2690 7.6635 109.3668 47.0458 0.0000 175.8429 57 A 3.9718 7.7484 122.5617 55.0514 18.3840 179.2066 58 E 3.5783 8.3194 117.9889 58.9624 29.6962 179.1884 59 G 3.6999 8.0429 106.0935 47.9498 0.0000 175.8891 60 S 4.1255 8.2441 117.8438 61.1058 62.8247 176.5096 61 F 3.8974 7.7088 124.4531 60.6675 38.9089 177.3457 62 V 3.0514 7.7138 118.0036 65.6356 31.2091 177.8052 63 S 4.0816 7.9896 113.1571 61.5292 62.0216 176.4727 64 S 4.0174 8.0542 116.9328 61.1608 62.3760 176.1554 65 L 3.7247 7.1121 123.4068 57.1629 41.9993 178.3351 66 V 3.8473 7.1893 110.6209 61.3609 32.1858 177.8584 67 K 3.9236 7.6987 118.3271 59.3260 32.0437 177.3639 68 S 4.6742 7.6772 110.8814 58.1356 63.3901 175.0971 69 I 3.6307 7.7614 123.1403 65.6192 37.9638 176.1906 70 G 4.1993 9.0552 107.9933 44.6944 0.0000 175.0885 71 N 3.9447 8.3492 121.6362 56.4619 39.9963 176.2036 72 S 4.0604 7.9184 112.5145 60.4570 63.0336 173.8347 73 Y 4.9888 8.3131 118.0361 56.3270 40.3082 175.3660 74 S 4.7301 8.8023 117.7100 58.2700 65.6222 173.1014 75 Y 5.2429 7.8694 116.1296 56.1941 42.0735 174.7056 76 V 4.5211 8.5802 121.9482 60.6596 34.7665 174.7882 77 W 5.3165 9.1735 128.4840 57.1139 30.2602 175.2382 78 I 4.6616 9.0627 116.2242 58.4758 41.2123 175.4643 79 G 4.4968 9.5634 107.0585 46.8437 0.0000 172.5000 80 L 5.1090 8.2543 123.9140 53.6124 43.5864 175.2139 81 H 4.9786 9.3957 120.8954 54.4441 32.8680 171.8618 82 D 4.5973 7.9190 119.2077 50.9971 41.3353 174.4498 83 P 4.0514 0.0000 0.0000 64.3242 31.6512 177.6523 84 T 3.9884 7.8952 109.0864 61.4311 69.5438 174.4834 85 Q 2.6365 8.6697 121.4531 56.7859 26.7707 174.0629 86 G 4.0886 8.3178 107.1061 45.8151 0.0000 176.0752 87 T 3.9759 7.4785 108.8665 64.0884 70.4466 175.8036 88 E 3.9487 7.5735 118.7957 57.4598 28.5926 178.4007 *91 G 3.8638 8.9814 100.5648 45.8396 0.0000 172.8572 92 E 4.7580 9.4739 115.3393 55.9957 29.9849 178.0535 93 G 3.6900 8.0403 108.2898 46.5641 0.0000 174.9862 94 W 4.5784 8.0325 120.2091 57.0911 29.8131 175.1920 95 E 4.7272 9.1094 119.9380 55.2515 33.1393 173.8805 96 W 5.4211 8.6687 120.9691 55.7696 30.2041 177.9864 97 S 4.5668 9.6091 120.2806 61.0806 62.4704 175.4965 98 S 4.4834 8.1322 112.9917 57.9358 63.2734 174.8007 99 S 4.0546 8.8029 116.4546 59.2064 60.7734 170.7952 100 D 4.5875 7.6331 119.2557 53.8923 41.0949 176.6246 101 V 3.7769 8.2082 121.8640 63.2584 32.0797 176.2841 102 M 4.5892 8.7124 126.3819 55.2476 30.6633 175.4334 103 N 5.0419 8.7033 120.6102 53.2034 40.0986 173.7098 104 Y 5.0023 7.3278 117.4906 56.7315 42.0731 173.2860 105 F 4.4529 8.0845 123.8172 55.6277 42.5904 174.9341 106 A 4.1151 5.8000 127.6158 50.4979 18.6134 175.7786 107 W 4.5593 7.6469 119.8848 57.7547 29.7493 177.5328 108 E 4.1749 9.6248 126.3580 58.9334 29.6347 177.4803 109 R 4.6026 7.8730 116.2370 53.9299 33.7912 174.7435 110 N 3.8636 8.7159 120.7610 52.4566 39.1729 174.3069 111 P 3.9632 0.0000 0.0000 65.3836 31.2922 178.2410 112 S 4.1928 7.7435 112.3571 60.2063 63.0466 174.5683 113 T 4.3385 7.7733 110.5815 61.3245 69.0274 174.1786 114 I 4.3472 7.3475 123.6745 59.5086 39.0918 175.1033 115 S 4.1300 8.6315 120.2335 58.6795 63.0999 173.7566 116 S 3.6108 8.5784 123.3749 58.6949 59.7573 168.7308 117 P 4.6437 0.0000 0.0000 61.3997 32.9671 176.9002 118 G 3.7938 9.2351 108.3635 46.3276 0.0000 173.1320 119 H 4.7642 8.6141 115.3592 55.3810 30.3395 174.5752 120 C 5.4102 8.6071 115.7784 55.1301 39.0706 172.7058 121 A 5.8581 9.0883 121.9573 50.4687 21.8658 175.5273 122 S 5.3847 9.1869 114.4520 56.5634 67.3281 172.9165 123 L 5.2456 9.3495 121.5547 54.2456 43.2340 175.8608 124 S 4.8470 8.3812 117.7624 56.3166 65.0200 175.4464 125 R 2.5100 8.0232 124.2664 58.5675 30.0382 178.7380 126 S 4.0260 7.6817 111.8052 60.6170 63.2711 174.8313 127 T 4.3019 7.1450 110.3956 60.7298 68.6109 174.4043 128 A 3.4010 8.0394 121.9764 53.8460 16.4612 178.2849 129 F 4.0204 7.6612 114.4812 60.2909 37.0492 176.5310 130 L 4.6557 7.8677 120.0351 54.7815 42.6840 176.6119 131 R 4.7649 7.8072 116.7933 54.0049 34.2256 174.5173 132 W 5.3297 8.7131 121.0781 55.3451 31.5838 175.3336 133 K 5.2867 9.3552 125.4030 54.2721 34.6959 175.0266 134 D 5.4095 9.1710 127.1884 54.2744 40.1181 174.9060 135 Y 4.7005 9.7021 121.7357 55.8689 43.2969 173.3719 136 N 4.4777 8.4540 123.2726 54.0644 39.3448 176.0217 137 C 4.1834 9.1921 124.4341 60.3423 40.4124 175.6875 138 N 4.4269 8.8134 115.3380 54.5329 38.6319 175.7086 139 V 3.9628 8.3177 119.9007 62.7485 32.2525 174.6647 140 R 5.0838 8.6759 125.9014 55.7681 31.0003 175.6989 141 L 4.9255 9.2425 122.7810 52.2604 46.9025 174.1540 142 P 4.9359 0.0000 0.0000 63.1507 32.9190 174.6224 143 Y 5.3675 8.2453 117.5976 56.3567 41.9308 173.5439 144 V 4.9667 8.5341 119.7475 61.5050 34.3700 173.6816 145 C 5.5219 9.5747 125.2248 55.2977 37.5385 172.5543 146 K 4.8434 9.0078 123.3509 54.6149 34.9338 175.0794 147 F 5.4272 8.6010 121.7639 56.3404 41.7963 172.6904 148 T 4.8057 8.6637 108.5909 59.9321 71.4082 174.1052 149 D 4.4387 8.2741 120.6701 54.6238 41.6781 175.1324 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 10 A 8.26 4.30 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.85 4.11 0.00 1.86 1.91 0.00 3.34 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 12 I 7.67 2.99 1.78 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 1.48 0.45 0.83 0.00 0.00 13 R 8.14 4.72 0.00 1.91 1.85 0.00 3.02 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 14 C 8.22 5.10 0.00 2.93 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 15 P 0.00 4.61 0.00 2.36 2.07 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 16 K 8.43 4.16 0.00 1.74 1.78 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 17 G 9.31 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 0.00 0.00 0.00 18 S 7.83 5.03 0.00 4.07 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 19 K 9.37 4.86 0.00 1.86 1.92 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.53 7.81 20 A 8.57 4.96 1.18 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 0.00 0.00 0.00 0.00 0.00 21 Y 8.90 3.89 0.00 1.43 1.63 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 22 G 7.58 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 0.00 0.00 0.00 23 S 8.54 4.64 0.00 3.64 3.72 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 0.00 0.00 0.00 0.00 24 H 7.99 4.98 0.00 3.00 2.59 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.52 5.29 0.00 1.23 2.23 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 0.00 0.00 0.00 0.00 26 Y 9.33 5.47 0.00 3.03 2.94 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 27 A 9.22 4.82 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 28 L 8.20 4.72 0.00 1.44 1.32 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.52 4.46 0.00 1.51 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 30 L 8.58 3.78 0.00 1.61 1.68 0.93 0.70 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 31 S 8.02 4.28 0.00 4.07 3.99 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 32 P 0.00 4.81 0.00 2.18 2.25 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 33 K 9.32 4.95 0.00 1.49 1.55 0.00 1.36 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.68 7.81 34 S 8.69 5.34 0.00 4.15 4.12 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 35 W 8.83 2.95 0.00 1.78 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 36 T 7.93 3.71 4.23 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 0.00 0.00 0.00 1.40 0.00 0.00 37 D 7.94 4.17 0.00 2.65 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 38 A 7.76 2.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.30 3.81 0.00 1.58 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 0.00 0.00 0.00 0.00 40 L 7.49 3.83 0.00 1.70 1.58 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.84 3.96 1.10 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 42 C 8.22 4.20 0.00 3.00 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 43 Q 7.56 4.16 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 44 K 7.61 4.02 0.00 1.69 1.77 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.49 7.81 45 R 7.19 4.14 0.00 1.77 1.52 0.00 2.64 0.00 0.00 2.87 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 46 P 0.00 4.38 0.00 2.47 2.04 0.00 3.78 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 2.17 2.13 0.00 47 S 8.78 3.74 0.00 4.01 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 48 G 7.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.48 0.00 2.68 2.63 0.00 0.00 7.15 6.34 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 50 L 8.80 4.40 0.00 1.36 1.64 -0.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 51 V 9.00 3.76 2.23 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 0.92 0.00 0.00 1.08 0.00 0.00 52 S 8.29 3.34 0.00 2.72 3.26 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 53 V 5.85 4.18 2.61 0.00 0.00 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 1.04 0.00 0.00 54 L 8.69 4.76 0.00 1.60 1.66 0.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.11 4.18 0.00 3.83 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 56 G 7.66 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 0.00 0.00 0.00 57 A 7.75 3.97 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 58 E 8.32 3.58 0.00 2.13 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 2.26 0.00 59 G 8.04 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.13 0.00 3.97 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 61 F 7.71 3.90 0.00 2.36 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 0.00 0.00 0.00 62 V 7.71 3.05 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 0.92 0.00 0.00 0.98 0.00 0.00 63 S 7.99 4.08 0.00 4.15 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 64 S 8.05 4.02 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.11 3.72 0.00 0.97 1.54 0.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.19 3.85 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 0.51 0.00 0.00 0.52 0.00 0.00 67 K 7.70 3.92 0.00 1.70 1.93 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.71 7.81 68 S 7.68 4.67 0.00 3.93 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 69 I 7.76 3.63 1.73 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.84 0.00 0.00 70 G 9.06 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 71 N 8.35 3.94 0.00 2.70 2.77 0.00 0.00 7.07 7.63 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 72 S 7.92 4.06 0.00 3.23 3.32 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 73 Y 8.31 4.99 0.00 2.90 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 74 S 8.80 4.73 0.00 3.62 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 75 Y 7.87 5.24 0.00 2.32 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 0.00 0.00 0.00 0.00 76 V 8.58 4.52 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 0.75 0.00 0.00 0.74 0.00 0.00 77 W 9.17 5.32 0.00 3.49 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 78 I 9.06 4.66 2.23 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 1.07 0.00 0.00 79 G 9.56 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 5.11 0.00 0.55 1.14 -0.48 -0.05 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 81 H 9.40 4.98 0.00 2.30 1.67 0.00 5.27 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.92 4.60 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 83 P 0.00 4.05 0.00 2.06 1.94 0.00 3.61 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.04 0.00 84 T 7.90 3.99 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 1.07 0.00 0.00 85 Q 8.67 2.64 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 86 G 8.32 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 0.00 0.00 0.00 87 T 7.48 3.98 4.18 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 0.00 0.00 1.18 0.00 0.00 88 E 7.57 3.95 0.00 1.90 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 2.29 2.41 0.00 *91 G 8.98 3.86 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 0.00 0.00 0.00 92 E 9.47 4.76 0.00 2.11 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 2.31 2.37 0.00 93 G 8.04 3.69 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 0.00 0.00 0.00 94 W 8.03 4.58 0.00 3.35 3.25 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 95 E 9.11 4.73 0.00 2.08 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 2.36 2.41 0.00 96 W 8.67 5.42 0.00 3.41 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 97 S 9.61 4.57 0.00 4.06 4.19 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 98 S 8.13 4.48 0.00 3.99 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 99 S 8.80 4.05 0.00 4.07 4.12 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 0.00 100 D 7.63 4.59 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 3.78 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 0.93 0.00 0.00 1.02 0.00 0.00 102 M 8.71 4.59 0.00 1.98 2.19 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 2.60 2.32 0.00 103 N 8.70 5.04 0.00 2.77 2.91 0.00 0.00 6.92 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 0.00 104 Y 7.33 5.00 0.00 3.16 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.08 4.45 0.00 2.82 2.85 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 0.00 106 A 5.80 4.12 0.10 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 0.00 107 W 7.65 4.56 0.00 3.08 3.19 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 0.00 108 E 9.62 4.17 0.00 2.24 2.11 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 2.38 2.34 0.00 109 R 7.87 4.60 0.00 1.79 1.75 0.00 3.30 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 110 N 8.72 3.86 0.00 2.69 2.53 0.00 0.00 6.87 8.03 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 0.00 111 P 0.00 3.96 0.00 2.14 1.74 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 112 S 7.74 4.19 0.00 3.95 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 0.00 113 T 7.77 4.34 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 1.15 0.00 0.00 114 I 7.35 4.35 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.89 0.00 0.00 115 S 8.63 4.13 0.00 3.81 3.76 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 0.00 116 S 8.58 3.61 0.00 4.01 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 0.00 117 P 0.00 4.64 0.00 2.31 2.05 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 118 G 9.24 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 0.00 119 H 8.61 4.76 0.00 2.89 3.01 0.00 5.56 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 C 8.61 5.41 0.00 2.97 2.39 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 0.00 121 A 9.09 5.86 1.07 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 0.00 0.00 122 S 9.19 5.38 0.00 3.81 3.59 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 0.00 123 L 9.35 5.25 0.00 1.87 2.00 1.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.38 4.85 0.00 3.82 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 0.00 125 R 8.02 2.51 0.00 1.38 1.51 0.00 3.24 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 126 S 7.68 4.03 0.00 3.96 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 0.00 127 T 7.14 4.30 4.21 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 1.21 0.00 0.00 128 A 8.04 3.40 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 0.00 129 F 7.66 4.02 0.00 3.21 3.11 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 0.00 130 L 7.87 4.66 0.00 1.81 1.73 0.93 0.80 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 0.00 131 R 7.81 4.76 0.00 1.72 1.75 0.00 3.22 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 132 W 8.71 5.33 0.00 2.76 2.54 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 0.00 0.00 0.00 0.00 133 K 9.36 5.29 0.00 2.20 1.89 0.00 2.00 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.54 7.81 134 D 9.17 5.41 0.00 3.13 2.72 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 0.00 0.00 0.00 0.00 135 Y 9.70 4.70 0.00 3.30 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 0.00 136 N 8.45 4.48 0.00 2.64 2.69 0.00 0.00 7.05 7.65 0.00 0.00 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 C 9.19 4.18 0.00 3.02 3.08 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 0.00 0.00 0.00 138 N 8.81 4.43 0.00 2.91 2.95 0.00 0.00 6.97 7.38 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 0.00 139 V 8.32 3.96 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.06 0.00 0.00 140 R 8.68 5.08 0.00 1.89 1.92 0.00 3.31 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 141 L 9.24 4.93 0.00 0.99 1.20 -0.70 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.94 0.00 1.74 1.58 0.00 3.66 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 1.03 0.90 0.00 143 Y 8.25 5.37 0.00 3.16 3.26 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 0.00 144 V 8.53 4.97 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 1.13 0.00 0.00 0.89 0.00 0.00 145 C 9.57 5.52 0.00 3.28 3.19 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 0.00 146 K 9.01 4.84 0.00 1.55 1.45 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.35 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.85 0.34 7.81 147 F 8.60 5.43 0.00 3.23 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 0.00 148 T 8.66 4.81 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 1.20 0.00 0.00 149 D 8.27 4.44 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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.