NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3729 8.2893 120.3454 55.2996 32.3212 174.8394 1 I 3.8844 7.6260 116.9511 60.1561 38.7844 174.7077 2 Q 4.8872 8.9388 119.7503 54.9941 33.6762 175.4798 3 R 4.8220 9.1642 122.2074 54.6357 33.9747 175.1036 4 T 4.7946 8.7957 119.0749 61.7252 69.6296 172.8694 5 P 4.8441 0.0000 0.0000 62.9280 32.5755 176.0526 6 K 4.5549 9.3661 122.1872 55.9272 34.3158 175.9017 7 I 5.1147 8.1316 121.8341 60.0413 40.7924 174.6816 8 Q 4.9001 9.4210 125.9961 54.0274 32.3870 174.7743 9 V 5.1171 8.4917 122.3743 61.6198 34.1327 173.8386 10 Y 5.1012 8.5535 125.0119 56.6718 41.7592 173.4297 11 S 5.4213 8.7529 114.6270 56.4903 64.7811 174.5318 12 R 4.0977 8.8392 120.7054 59.1085 30.2252 175.9137 13 H 5.0615 8.2871 112.6879 52.5698 32.2639 171.4128 14 P 4.2416 0.0000 0.0000 62.9828 31.3260 176.4319 15 A 4.2627 8.8479 127.0188 52.0711 19.1366 176.2012 16 E 4.7235 8.5554 121.9423 53.9971 32.7704 175.2581 17 N 4.7072 8.8090 121.3329 55.1072 38.9339 175.4616 18 G 3.9574 8.9557 112.0607 44.8614 0.0000 173.1522 19 K 4.4786 7.3521 119.0920 53.9997 34.0024 176.3558 20 S 4.1751 8.3536 117.7610 59.1498 63.4114 173.2293 21 N 4.7828 7.7763 120.8520 53.6759 43.5848 172.6384 22 F 5.1561 9.5800 115.0894 56.0482 44.1089 173.5950 23 L 4.2720 8.8784 125.0885 53.4084 43.4829 174.7645 24 N 5.3219 8.9544 124.6884 51.7082 41.7741 173.6922 25 C 5.1976 9.3168 121.9793 55.2779 47.3963 171.5452 26 Y 5.4859 9.2508 128.6704 56.4315 40.2417 174.4838 27 V 5.0044 8.5971 120.1396 59.7588 35.0751 174.9286 28 S 4.9654 8.9773 117.6732 58.1404 66.8484 174.6577 29 G 4.4532 8.6569 107.0014 47.1657 0.0000 173.4407 30 F 5.0908 7.1138 114.3219 55.4475 41.3084 173.7657 31 H 5.0574 8.6955 114.1128 54.9466 33.8438 172.0390 32 P 5.0939 0.0000 0.0000 62.4654 31.8091 176.5197 33 S 3.9169 8.5908 114.6009 61.3374 63.0826 175.0610 34 D 4.4816 7.8538 120.4458 54.1550 41.0968 175.1126 35 I 4.5191 7.9376 122.2940 59.5669 41.7081 173.6054 36 E 4.4552 8.9990 128.2793 54.5839 31.2795 174.4925 37 V 4.5959 7.9163 126.7418 60.9650 33.9375 174.4178 38 D 4.8492 8.6649 126.2379 52.6168 45.3483 174.3744 39 L 5.0071 8.4819 121.9160 53.4423 44.2895 175.3515 40 L 5.2233 8.9422 122.2118 52.7823 45.5818 175.2829 41 K 4.0664 9.0659 124.7613 54.7419 34.1187 175.7342 42 N 3.8352 8.8352 126.2628 54.4966 36.2511 175.4172 43 G 3.9340 7.8150 102.3775 45.8430 0.0000 171.9071 44 E 4.6030 7.9081 120.4022 53.8687 31.4444 175.5630 45 R 4.3407 8.4670 123.4480 56.6788 30.7003 175.9756 46 I 4.2274 8.1456 126.1025 60.6788 38.2376 176.0989 47 E 3.9525 8.7271 124.2207 59.2584 29.6235 177.9389 48 K 4.2678 7.7690 122.8432 55.3422 31.6930 176.4164 49 V 4.4737 7.9721 123.3352 61.2335 34.5898 174.3970 50 E 4.5733 8.3302 127.0149 55.0659 32.6401 174.2749 51 H 5.8241 7.9932 114.7830 54.1052 31.2443 173.5491 52 S 4.4258 8.7850 116.1802 58.5889 63.7223 173.0906 53 D 4.5757 8.3864 119.2403 53.1131 41.4971 176.3069 54 L 4.0063 8.3831 124.5638 55.8093 42.6686 175.7565 55 S 4.7676 8.1393 120.2640 56.4833 66.6035 171.9655 56 F 5.5833 7.6417 115.6026 55.7232 41.2776 174.5967 57 S 4.6183 9.3106 118.9249 57.7906 64.9267 175.5714 *58 K 3.8731 8.7509 121.9625 58.5054 31.0774 173.5224 59 D 4.4585 7.7871 114.7617 53.1516 39.0923 177.0528 60 W 3.6198 7.7296 118.8035 56.8142 27.8458 174.3859 61 S 4.3043 8.7570 114.9419 57.8261 64.0475 174.2170 62 F 5.1991 8.0253 121.7864 57.7297 39.9789 173.9208 63 Y 5.5524 8.6008 117.6045 56.1270 41.6742 173.8543 64 L 5.1175 9.4850 120.1386 53.5281 47.0686 174.3690 65 L 5.5062 10.0967 124.7571 53.7240 45.1005 174.6436 66 Y 5.4078 9.0943 122.8614 56.4573 41.3354 174.2273 67 Y 5.9557 8.5914 121.1147 55.1465 42.3339 173.9132 68 T 4.9337 8.2106 113.2059 60.5997 71.0904 172.2550 69 E 3.8243 8.7039 129.1850 56.2313 30.7147 175.3461 70 F 4.7220 8.1224 119.3858 56.6809 42.0475 172.7243 71 T 4.1124 8.0128 114.6859 60.7625 71.2833 172.7238 72 P 4.7911 0.0000 0.0000 63.1862 32.2621 177.3521 73 T 4.6148 8.7258 108.9946 60.5610 70.7807 173.7154 74 E 4.3424 8.9700 118.7508 55.8264 28.3523 175.5606 75 K 4.3677 7.6974 116.0120 56.8897 33.5369 176.2026 76 D 4.4684 7.9148 119.3301 53.8497 41.5189 175.3062 77 E 4.8157 8.5962 123.4548 55.0456 32.2558 175.4339 78 Y 5.5733 9.2925 122.1009 56.5102 41.0714 173.8158 79 A 4.9511 7.9156 120.4220 52.1208 22.8852 175.3700 80 C 5.2605 9.1582 118.5567 54.9707 46.8175 172.6965 81 R 4.9416 9.1170 126.8727 54.7822 31.6765 174.6054 82 V 5.2909 8.6917 126.7659 60.5768 34.8603 173.8766 83 N 5.1891 8.2111 123.0402 52.6409 42.4558 172.4234 84 H 5.0768 8.6114 123.8109 54.7083 33.3072 174.4637 85 V 3.6172 8.2353 115.9846 64.2540 31.5879 177.6326 86 T 4.1818 7.9414 108.6832 62.6426 69.2962 174.0628 87 L 4.5969 7.7849 123.0773 53.8838 42.9200 176.8315 88 S 4.5082 8.4243 117.1929 59.6455 63.6280 174.3925 89 Q 4.5537 7.6939 114.9058 53.9899 30.4817 171.8137 90 P 4.3530 0.0000 0.0000 63.4734 32.1573 175.1737 91 K 4.5694 8.9543 124.8697 54.8391 34.3669 174.8406 92 I 5.0287 8.3577 127.2700 59.4883 39.9463 174.7996 93 V 4.4215 8.6837 127.3309 60.8542 33.6746 175.0185 94 K 4.6060 8.7416 127.4654 55.8296 33.1521 176.5917 95 W 4.5003 8.9490 134.5375 57.3902 31.1854 175.2765 96 D 4.3943 8.7702 127.9474 52.6330 39.9359 175.6188 97 R 3.1193 7.0835 127.8582 58.6271 30.4237 177.0814 98 D 4.4963 7.6075 130.4996 53.7545 38.8631 176.6507 99 M 4.2915 8.3147 124.0825 55.6065 32.5040 176.0950 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 0 M 8.29 4.37 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 1 I 7.63 3.88 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.86 0.00 0.00 2 Q 8.94 4.89 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 3 R 9.16 4.82 0.00 1.90 1.90 0.00 3.13 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 4 T 8.80 4.79 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 1.23 0.00 0.00 5 P 0.00 4.84 0.00 1.99 1.82 0.00 3.74 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 6 K 9.37 4.55 0.00 1.70 1.78 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.61 7.81 7 I 8.13 5.11 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.96 0.00 0.00 8 Q 9.42 4.90 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 9 V 8.49 5.12 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 1.00 0.00 0.00 1.03 0.00 0.00 10 Y 8.55 5.10 0.00 3.20 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 11 S 8.75 5.42 0.00 4.24 3.88 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 12 R 8.84 4.10 0.00 1.78 2.20 0.00 3.03 0.00 0.00 2.98 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.40 0.00 13 H 8.29 5.06 0.00 3.19 3.22 0.00 5.97 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.24 0.00 2.10 2.10 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 15 A 8.85 4.26 1.62 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 0.00 0.00 16 E 8.56 4.72 0.00 2.00 1.82 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 2.30 2.32 0.00 17 N 8.81 4.71 0.00 2.73 2.80 0.00 0.00 7.31 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 18 G 8.96 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 0.00 0.00 0.00 19 K 7.35 4.48 0.00 1.83 1.68 0.00 1.88 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.32 7.81 20 S 8.35 4.18 0.00 3.73 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 21 N 7.78 4.78 0.00 2.60 2.40 0.00 0.00 7.18 7.62 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 22 F 9.58 5.16 0.00 2.97 2.91 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 23 L 8.88 4.27 0.00 0.27 0.83 -0.18 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.95 5.32 0.00 1.50 2.24 0.00 0.00 5.95 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 25 C 9.32 5.20 0.00 2.91 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 26 Y 9.25 5.49 0.00 3.37 3.17 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 0.00 27 V 8.60 5.00 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 0.65 0.00 0.00 1.01 0.00 0.00 28 S 8.98 4.97 0.00 3.84 3.50 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 29 G 8.66 4.45 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 0.00 0.00 0.00 30 F 7.11 5.09 0.00 2.98 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 31 H 8.70 5.06 0.00 3.22 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.71 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 5.09 0.00 2.05 2.09 0.00 3.81 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 2.08 2.21 0.00 33 S 8.59 3.92 0.00 3.29 2.63 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 34 D 7.85 4.48 0.00 2.66 2.63 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 35 I 7.94 4.52 1.37 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.64 0.74 0.00 0.00 36 E 9.00 4.46 0.00 1.98 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 2.24 2.16 0.00 37 V 7.92 4.60 0.67 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 0.38 0.00 0.00 0.36 0.00 0.00 38 D 8.66 4.85 0.00 2.53 2.44 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 39 L 8.48 5.01 0.00 1.58 1.52 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.94 5.22 0.00 1.54 1.50 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.07 4.07 0.00 1.77 1.58 0.00 1.90 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.08 0.82 7.81 42 N 8.84 3.84 0.00 2.77 2.73 0.00 0.00 7.06 6.98 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 43 G 7.82 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 0.00 0.00 0.00 44 E 7.91 4.60 0.00 2.08 1.83 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 2.35 2.34 0.00 45 R 8.47 4.34 0.00 1.75 1.83 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 46 I 8.15 4.23 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.85 0.93 0.00 0.00 47 E 8.73 3.95 0.00 1.96 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 2.27 0.00 48 K 7.77 4.27 0.00 1.72 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.40 7.81 49 V 7.97 4.47 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 0.91 0.00 0.00 0.92 0.00 0.00 50 E 8.33 4.57 0.00 1.16 1.45 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 2.02 1.89 0.00 51 H 7.99 5.82 0.00 2.15 1.46 0.00 5.34 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 52 S 8.79 4.43 0.00 3.92 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 53 D 8.39 4.58 0.00 2.65 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 54 L 8.38 4.01 0.00 1.61 1.59 0.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.14 4.77 0.00 3.51 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 56 F 7.64 5.58 0.00 2.84 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 57 S 9.31 4.62 0.00 3.87 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 *58 K 8.75 3.87 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.03 7.81 59 D 7.79 4.46 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.73 3.62 0.00 3.32 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 61 S 8.76 4.30 0.00 3.78 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 62 F 8.03 5.20 0.00 1.84 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 63 Y 8.60 5.55 0.00 3.07 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 64 L 9.48 5.12 0.00 1.98 1.79 1.19 0.44 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 65 L 10.10 5.51 0.00 1.84 1.63 1.07 0.72 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 66 Y 9.09 5.41 0.00 3.14 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 67 Y 8.59 5.96 0.00 3.12 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 68 T 8.21 4.93 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 1.06 0.00 0.00 69 E 8.70 3.82 0.00 1.72 1.65 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 1.72 1.91 0.00 70 F 8.12 4.72 0.00 2.98 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 71 T 8.01 4.11 4.14 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 1.09 0.00 0.00 72 P 0.00 4.79 0.00 2.11 2.29 0.00 3.31 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.38 0.00 73 T 8.73 4.61 4.30 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 1.35 0.00 0.00 74 E 8.97 4.34 0.00 2.22 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 75 K 7.70 4.37 0.00 1.79 1.91 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.45 7.81 76 D 7.91 4.47 0.00 2.95 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 77 E 8.60 4.82 0.00 1.88 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 2.32 2.50 0.00 78 Y 9.29 5.57 0.00 3.14 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 79 A 7.92 4.95 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 80 C 9.16 5.26 0.00 2.95 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 81 R 9.12 4.94 0.00 1.84 1.72 0.00 3.07 0.00 0.00 3.06 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 82 V 8.69 5.29 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 0.70 0.00 0.00 0.83 0.00 0.00 83 N 8.21 5.19 0.00 2.73 2.52 0.00 0.00 6.43 7.89 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 84 H 8.61 5.08 0.00 3.06 3.03 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 85 V 8.24 3.62 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 0.73 0.00 0.00 0.89 0.00 0.00 86 T 7.94 4.18 4.32 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 1.37 0.00 0.00 87 L 7.78 4.60 0.00 1.76 1.78 0.95 0.90 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 88 S 8.42 4.51 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 89 Q 7.69 4.55 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 90 P 0.00 4.35 0.00 1.93 2.03 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 91 K 8.95 4.57 0.00 1.81 1.63 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 92 I 8.36 5.03 1.88 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 1.22 0.79 0.93 0.00 0.00 93 V 8.68 4.42 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 1.12 0.00 0.00 0.96 0.00 0.00 94 K 8.74 4.61 0.00 1.74 1.80 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.48 7.81 95 W 8.95 4.50 0.00 3.29 3.43 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 96 D 8.77 4.39 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.08 3.12 0.00 1.51 1.46 0.00 2.97 0.00 0.00 3.04 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 98 D 7.61 4.50 0.00 2.73 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 99 M 8.31 4.29 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.