NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.3009 8.2300 118.5910 53.2280 40.1668 174.8002 2 L 3.9986 8.5854 127.5189 57.8328 42.0530 177.5051 3 I 3.5738 8.9377 121.1975 64.5299 37.4935 177.9001 4 Q 4.0675 8.2069 118.3360 58.8743 28.3971 178.5636 5 F 4.4756 8.3341 121.9358 61.3635 39.0094 177.4052 6 K 3.8217 7.8519 118.1258 59.8731 31.7848 178.9130 7 N 4.4390 8.0265 117.4747 56.1350 38.6773 176.9298 8 M 4.2198 8.4752 119.7151 57.8782 32.1245 178.4410 9 I 3.7984 7.3144 120.4595 64.4594 37.2963 178.0327 10 Q 4.1494 7.6020 115.5405 58.2590 28.5849 177.3014 11 C 4.4032 7.9336 120.4358 59.9485 43.6288 175.2099 12 A 4.2345 7.6197 119.9753 55.6597 18.4653 176.7889 13 G 4.4822 8.4641 106.3615 44.3704 0.0000 171.7171 14 T 4.2448 8.3932 106.6422 62.5156 70.6313 174.5875 *17 R 4.2028 7.9612 119.0379 55.5784 30.8559 175.4343 18 I 4.2575 7.8601 116.1333 59.6373 39.2368 176.6289 19 W 4.4638 8.9281 117.3522 59.6698 27.7205 178.2976 20 T 2.9275 6.8990 110.2390 64.1213 67.9004 176.1266 21 A 3.7862 7.1635 122.1044 54.2031 18.1461 178.0538 22 Y 4.4575 7.3609 113.3352 58.2393 39.0369 177.6582 23 V 4.0274 7.2343 119.5622 65.1644 31.8128 174.8445 24 A 4.9279 7.6939 119.7977 51.2300 20.1086 173.5988 25 Y 4.6592 8.6030 121.1897 56.9847 42.9130 176.4567 26 G 3.7725 7.5849 114.4042 47.1106 0.0000 172.7063 27 C 4.5385 9.3948 114.8556 57.6164 41.1252 174.7235 28 Y 4.2536 8.6662 115.5600 58.0548 40.0384 175.2850 29 C 4.5082 8.2779 119.0050 57.8267 40.4169 172.3556 30 G 4.1342 9.2387 109.4367 43.8873 0.0000 172.6325 31 K 3.7840 8.7197 119.6404 57.9110 32.7791 178.1772 32 G 3.8112 8.7643 113.1840 47.3740 0.0000 172.1369 33 G 4.4559 7.7257 116.2755 45.7320 0.0000 171.4925 34 S 4.4088 7.0937 116.9173 57.6894 66.1856 174.7959 35 G 3.9032 8.5224 108.7834 45.1017 0.0000 172.2039 36 T 4.5671 8.2357 108.6717 58.7510 70.7618 172.2835 37 P 4.6214 0.0000 0.0000 63.5725 31.9098 176.6718 38 V 3.9096 8.7551 115.0069 63.3304 32.3403 175.2882 39 D 4.7627 7.5799 116.9473 50.7742 42.5648 174.8655 40 E 3.9300 9.0978 118.1695 59.7485 29.2659 178.6838 41 L 4.1258 8.0250 119.5097 58.3839 42.3146 178.2482 42 D 4.6013 9.2243 118.2402 57.4891 41.0751 178.4737 43 R 4.0368 8.1425 118.8194 59.0715 30.0182 178.1448 44 C 4.3736 8.4185 116.6207 60.4564 40.1845 175.6152 45 C 4.5011 8.4743 117.5766 59.9472 34.0354 175.2108 46 Y 3.7700 8.1503 121.2690 61.0395 38.2696 178.5071 47 T 3.7129 8.0823 116.4658 66.8123 68.5448 176.0115 48 H 3.9228 8.1290 120.1226 59.4181 29.7483 177.0075 49 D 4.1520 8.0337 120.4440 57.7407 40.6928 178.5331 50 H 4.1179 7.7390 116.1350 58.7488 28.5336 177.1068 51 C 4.3732 8.2667 120.6821 59.9749 39.3870 175.3049 52 Y 4.0574 8.1377 118.4685 61.0054 37.1971 177.7559 53 N 4.3768 8.2870 117.3544 56.6815 39.2309 176.5516 54 E 4.0820 8.3752 119.9060 59.2691 29.5767 178.7954 55 A 3.8070 8.5458 121.2495 55.4319 18.1295 179.3987 56 E 4.3160 7.8622 116.7748 58.0448 29.5718 177.9834 57 K 4.2362 7.8616 117.3582 56.5089 32.1722 176.3103 58 I 4.2117 7.0267 120.8706 58.5279 38.3201 173.8890 59 P 3.9935 0.0000 0.0000 64.3727 31.8709 176.4997 60 G 3.8546 8.7176 111.9216 46.9428 0.0000 175.1158 61 C 4.6127 7.7198 117.1445 54.5333 46.5164 171.7520 62 N 5.0949 8.4045 126.7525 50.7107 39.7726 173.0877 63 P 3.8989 0.0000 0.0000 65.7789 31.6474 177.6490 64 N 4.5333 8.8389 116.9405 55.9188 38.6824 177.1308 65 I 3.9069 7.7173 109.2267 62.1383 38.5831 176.0577 66 K 3.8468 8.0332 122.8956 56.8687 32.1493 175.6809 67 T 4.3420 8.4048 123.5078 62.1540 69.7096 173.6995 68 Y 4.9669 7.4874 125.1008 55.1866 40.8109 174.3901 69 S 5.1558 9.3531 115.3885 57.4255 65.8940 173.3142 70 Y 5.0748 8.1416 120.0270 56.8768 40.6772 173.1635 71 T 4.4404 9.2480 114.4383 60.2846 71.3763 171.7649 72 C 5.3795 8.7528 126.3233 55.3843 44.1609 174.0723 73 T 4.4141 8.6534 125.6983 61.0560 67.6445 172.2271 74 Q 3.9911 7.7787 121.9398 55.5114 29.8607 175.1207 75 P 5.2152 0.0000 0.0000 62.3620 32.3282 174.6361 76 N 4.9043 8.7020 117.3856 52.9925 40.2186 174.1985 77 L 5.3811 8.5501 123.1602 53.3912 44.5828 176.0761 78 T 4.6476 8.9048 118.6538 62.1606 72.8515 172.2600 79 C 5.2703 8.8978 124.2987 55.9500 40.4540 173.7982 80 T 3.9482 8.4753 115.8676 63.8048 69.3201 175.5923 81 D 4.5397 8.2265 122.0160 54.7546 41.4672 175.7281 82 S 4.4165 8.5120 114.0780 59.6589 65.6387 175.0986 83 A 3.9996 8.1670 121.7312 55.0174 18.5932 177.5885 84 D 4.4940 7.9498 117.8040 54.1743 41.8411 176.7765 85 T 3.8921 8.4190 124.9720 66.7081 68.6626 176.9765 86 C 4.1411 8.2893 119.6746 59.8454 42.1628 175.3214 87 A 4.0743 8.4117 122.1313 55.3278 17.9200 179.0927 88 Q 3.8427 8.2723 118.0089 59.3165 29.1693 178.1347 89 F 3.9059 8.8480 121.7324 61.2966 39.6034 177.0481 90 L 3.8584 8.6285 120.1555 58.2241 41.8601 178.1118 91 C 2.9785 8.0944 118.8494 59.0150 44.3958 175.0316 92 E 3.6674 7.9473 120.9755 59.3606 29.1262 177.9249 93 C 3.9873 7.6739 116.3480 60.2647 38.4177 175.9268 94 D 4.0104 7.7201 119.5197 57.3184 40.4548 178.8942 95 R 3.8164 8.1423 119.5126 59.7040 29.9801 178.6075 96 T 3.7395 7.9460 115.3237 66.5459 68.4255 176.4972 97 A 3.4894 7.7957 122.3333 54.7551 18.4032 179.3915 98 A 3.6327 8.1187 119.6611 55.4613 18.3412 179.9944 99 I 3.6578 7.7290 118.2076 64.4062 37.1218 177.7924 100 C 4.1953 8.1320 119.4631 59.7949 43.2753 175.3957 101 F 4.3953 8.1979 117.8990 61.0143 38.6125 177.5283 102 A 4.2371 7.8685 117.9993 54.8216 18.2054 179.1755 103 S 4.4046 7.8237 112.2397 59.3210 63.5157 174.7911 104 A 4.6412 7.5833 123.4031 49.9766 19.1764 175.1667 105 P 4.5800 0.0000 0.0000 62.4355 32.4097 175.8058 106 Y 4.2289 8.2119 119.7525 55.7956 39.1976 174.5000 107 N 4.7321 8.6677 125.1726 51.4707 37.4930 176.5517 108 S 4.4589 8.7177 118.3367 60.3781 63.3632 176.0085 109 N 4.4318 8.0741 119.0617 56.4629 38.7236 176.0373 110 N 4.5431 8.4388 114.1993 53.2970 38.3160 174.4604 111 I 3.9117 7.0401 120.1916 62.1690 37.8881 176.1669 112 M 3.0367 7.8910 116.4334 56.5895 30.0252 175.1327 113 L 4.4047 7.1939 121.6280 53.3395 41.2945 175.4794 *115 S 4.2972 8.3605 120.6560 58.7340 64.3006 174.3348 116 S 4.4914 7.9811 118.4186 57.5845 64.1169 175.0374 117 T 3.9160 8.3316 116.3493 66.6739 68.2444 176.0965 118 S 4.1758 7.5432 115.6863 61.3348 63.4644 174.8089 119 C 4.6560 7.8937 118.4205 60.1214 38.8844 173.7655 120 Q 3.9331 6.8945 121.8876 55.0783 27.6547 177.9833 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 N 8.23 5.30 0.00 2.66 2.58 0.00 0.00 6.71 5.78 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 2 L 8.59 4.00 0.00 1.94 1.66 1.19 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.94 3.57 2.01 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 1.46 0.88 0.87 0.00 0.00 4 Q 8.21 4.07 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 5 F 8.33 4.48 0.00 3.34 3.33 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 6 K 7.85 3.82 0.00 1.79 1.75 0.00 0.88 0.00 0.00 0.66 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.31 1.24 7.81 7 N 8.03 4.44 0.00 3.02 3.02 0.00 0.00 6.55 8.90 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 8 M 8.48 4.22 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 9 I 7.31 3.80 2.07 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.17 1.06 0.00 0.00 10 Q 7.60 4.15 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 11 C 7.93 4.40 0.00 3.15 3.35 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 12 A 7.62 4.23 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 13 G 8.46 4.48 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 14 T 8.39 4.24 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 1.22 0.00 0.00 *17 R 7.96 4.20 0.00 1.86 1.72 0.00 2.68 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.32 0.00 18 I 7.86 4.26 1.95 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.93 0.00 0.00 19 W 8.93 4.46 0.00 3.75 3.38 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 20 T 6.90 2.93 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 0.04 0.00 0.00 21 A 7.16 3.79 0.61 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 0.00 0.00 22 Y 7.36 4.46 0.00 3.17 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 23 V 7.23 4.03 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 1.06 0.00 0.00 0.62 0.00 0.00 24 A 7.69 4.93 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 25 Y 8.60 4.66 0.00 2.82 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 26 G 7.58 3.77 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 27 C 9.39 4.54 0.00 3.17 3.13 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 28 Y 8.67 4.25 0.00 3.34 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.28 4.51 0.00 3.42 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 30 G 9.24 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 31 K 8.72 3.78 0.00 1.78 1.79 0.00 1.97 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.46 7.81 32 G 8.76 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 33 G 7.73 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.09 4.41 0.00 3.91 3.74 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 35 G 8.52 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 36 T 8.24 4.57 4.17 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 0.00 0.00 1.21 0.00 0.00 37 P 0.00 4.62 0.00 1.93 2.15 0.00 3.31 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 38 V 8.76 3.91 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 0.70 0.00 0.00 0.87 0.00 0.00 39 D 7.58 4.76 0.00 2.90 2.79 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 40 E 9.10 3.93 0.00 2.09 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 2.44 2.43 0.00 41 L 8.03 4.13 0.00 1.92 1.85 0.84 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.22 4.60 0.00 3.12 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 43 R 8.14 4.04 0.00 2.25 2.01 0.00 3.19 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 44 C 8.42 4.37 0.00 3.59 3.38 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 45 C 8.47 4.50 0.00 3.38 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.15 3.77 0.00 2.62 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 47 T 8.08 3.71 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 1.16 0.00 0.00 48 H 8.13 3.92 0.00 3.17 3.40 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 49 D 8.03 4.15 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 50 H 7.74 4.12 0.00 3.12 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.27 4.37 0.00 3.12 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 52 Y 8.14 4.06 0.00 3.09 2.96 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 53 N 8.29 4.38 0.00 2.93 2.89 0.00 0.00 7.28 7.20 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 54 E 8.38 4.08 0.00 2.58 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 2.37 2.67 0.00 55 A 8.55 3.81 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 56 E 7.86 4.32 0.00 2.12 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 2.31 2.42 0.00 57 K 7.86 4.24 0.00 1.66 1.76 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.70 1.50 7.81 58 I 7.03 4.21 1.89 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.15 0.81 0.00 0.00 59 P 0.00 3.99 0.00 1.99 2.00 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 60 G 8.72 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 0.00 0.00 0.00 61 C 7.72 4.61 0.00 2.90 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 62 N 8.40 5.09 0.00 2.69 2.62 0.00 0.00 6.85 7.71 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 63 P 0.00 3.90 0.00 1.24 1.31 0.00 3.74 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 64 N 8.84 4.53 0.00 2.86 2.92 0.00 0.00 6.58 6.78 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 65 I 7.72 3.91 1.85 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 1.43 0.54 0.90 0.00 0.00 66 K 8.03 3.85 0.00 1.94 1.80 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.58 7.81 67 T 8.40 4.34 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 1.15 0.00 0.00 68 Y 7.49 4.97 0.00 3.30 3.01 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 69 S 9.35 5.16 0.00 4.03 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 70 Y 8.14 5.07 0.00 3.19 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 71 T 9.25 4.44 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 1.23 0.00 0.00 72 C 8.75 5.38 0.00 3.16 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 73 T 8.65 4.41 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 74 Q 7.78 3.99 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.61 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 75 P 0.00 5.22 0.00 2.23 2.13 0.00 3.42 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 76 N 8.70 4.90 0.00 2.77 2.79 0.00 0.00 6.90 7.11 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 77 L 8.55 5.38 0.00 1.53 1.62 0.94 0.98 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 78 T 8.90 4.65 4.29 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 1.23 0.00 0.00 79 C 8.90 5.27 0.00 2.81 2.99 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 80 T 8.48 3.95 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 81 D 8.23 4.54 0.00 2.70 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 82 S 8.51 4.42 0.00 3.77 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 83 A 8.17 4.00 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.95 4.49 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.42 3.89 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 1.20 0.00 0.00 86 C 8.29 4.14 0.00 2.96 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 87 A 8.41 4.07 1.48 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 88 Q 8.27 3.84 0.00 2.23 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 89 F 8.85 3.91 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.63 3.86 0.00 1.96 1.67 0.52 0.92 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 91 C 8.09 2.98 0.00 2.34 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 92 E 7.95 3.67 0.00 1.96 1.73 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 2.15 2.33 0.00 93 C 7.67 3.99 0.00 3.14 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 94 D 7.72 4.01 0.00 2.61 2.90 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 95 R 8.14 3.82 0.00 1.75 1.84 0.00 3.07 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 96 T 7.95 3.74 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 1.12 0.00 0.00 97 A 7.80 3.49 0.91 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 0.00 0.00 98 A 8.12 3.63 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 99 I 7.73 3.66 1.81 0.00 0.00 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 1.39 1.46 0.90 0.00 0.00 100 C 8.13 4.20 0.00 3.10 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 0.00 101 F 8.20 4.40 0.00 2.93 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 0.00 102 A 7.87 4.24 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 0.00 103 S 7.82 4.40 0.00 3.84 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 0.00 104 A 7.58 4.64 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 0.00 105 P 0.00 4.58 0.00 2.25 2.12 0.00 3.77 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 2.04 1.99 0.00 106 Y 8.21 4.23 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.67 4.73 0.00 2.85 2.78 0.00 0.00 6.56 6.85 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 0.00 108 S 8.72 4.46 0.00 4.09 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 0.00 109 N 8.07 4.43 0.00 2.72 2.86 0.00 0.00 7.16 6.92 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 0.00 110 N 8.44 4.54 0.00 2.12 2.17 0.00 0.00 7.00 7.37 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 0.00 111 I 7.04 3.91 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.43 0.96 0.00 0.00 112 M 7.89 3.04 0.00 2.05 2.01 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 2.52 2.43 0.00 113 L 7.19 4.40 0.00 1.72 1.62 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *115 S 8.36 4.30 0.00 3.87 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 0.00 116 S 7.98 4.49 0.00 3.96 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 0.00 117 T 8.33 3.92 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 1.20 0.00 0.00 118 S 7.54 4.18 0.00 3.86 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 0.00 119 C 7.89 4.66 0.00 2.90 2.97 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 0.00 120 Q 6.89 3.93 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.