NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3143 8.3149 122.1405 53.2673 34.6346 174.7457 4 I 4.2678 7.2131 121.1144 59.2071 39.1478 173.8195 5 I 3.7849 9.2535 128.7359 61.6908 38.6320 174.8117 6 H 5.3065 8.4344 122.9853 53.1591 28.2892 172.9894 7 L 4.3475 8.1545 122.8785 55.3891 42.9373 176.2566 8 T 4.6506 8.2807 107.6940 59.3951 71.5377 174.1917 9 D 4.7236 9.0114 124.1118 57.4595 40.8793 179.1979 10 D 4.5018 7.9949 116.8509 57.1631 40.9477 178.2232 11 S 4.2862 8.2473 113.4154 60.5198 62.6047 175.3735 12 F 4.0275 8.7987 124.1245 62.1091 39.1934 176.0699 13 D 4.1946 8.7774 115.4703 58.7656 41.2503 177.3886 14 T 4.0409 7.9289 111.1400 63.0902 69.3171 174.3823 15 D 4.6707 7.6692 121.4541 54.6056 43.3416 176.5367 16 V 3.9720 7.5868 116.7291 62.9872 32.9893 177.7129 17 L 3.8987 7.4212 120.6948 56.9114 41.2637 179.0023 18 K 4.4518 7.7364 115.3674 56.0489 32.1332 178.1477 19 A 3.5828 7.7966 127.0961 53.9280 18.4889 181.5902 20 D 5.0156 7.1011 117.0425 53.9131 39.9255 179.6650 21 G 3.9600 8.8374 108.2774 44.7213 0.0000 171.4784 22 A 4.9260 8.4548 121.6114 50.3347 21.4146 176.2895 23 I 5.3313 8.4128 123.6519 58.9751 40.4701 175.0777 24 L 4.7272 8.5127 130.2528 53.8412 41.9860 174.5901 25 V 4.1258 8.9825 125.6462 62.4400 33.3047 174.0243 26 D 5.2455 8.9014 127.6420 52.3551 43.0137 174.5763 27 F 5.3665 9.5925 125.1376 57.0682 40.4003 175.1750 28 W 5.1452 7.8971 118.1655 57.6818 31.2831 172.6242 29 A 3.9341 8.6071 117.1683 51.6981 20.8232 177.0502 30 E 4.4165 9.0617 123.1697 57.5263 29.7343 177.0424 31 W 4.7176 7.4834 113.3770 57.4665 29.7098 175.8905 32 C 4.5501 7.7498 121.2162 58.2467 31.9608 173.2991 33 G 3.7365 8.8119 115.5804 47.6437 0.0000 173.0348 34 P 4.2291 0.0000 0.0000 65.4428 31.1950 178.4673 35 C 4.1587 7.5996 115.9286 63.3461 28.0942 176.6836 36 K 4.1375 8.1665 126.8348 60.0948 31.3612 181.9790 37 M 4.3819 7.7534 119.3947 60.0082 31.6357 182.8197 38 I 3.8744 8.2264 119.4845 63.5335 38.2421 176.7824 39 A 3.6161 7.5470 120.1252 56.2865 17.9822 177.4651 40 P 4.1855 0.0000 0.0000 65.1831 31.6301 178.6412 41 I 3.7098 7.9270 120.7216 65.3699 37.0772 178.6939 42 L 4.0633 8.2763 125.1523 60.0774 40.4542 182.0070 43 D 4.6020 7.9371 122.6766 59.4863 39.7443 182.7298 44 E 4.3326 8.2888 120.0722 60.6636 29.4459 180.9894 45 I 3.9364 7.7847 118.8177 64.4868 37.0893 178.0163 46 A 4.2535 8.1967 124.1684 55.8426 18.2123 180.1455 47 D 4.4198 7.9038 120.7104 59.0731 39.7814 180.5100 48 E 4.6241 8.0500 116.1663 58.5223 29.6500 178.6435 49 Y 5.1510 7.7683 113.6344 58.5230 40.8279 174.6714 50 Q 4.0745 7.4646 121.5596 58.2344 29.5650 175.2231 51 G 4.3391 9.4619 118.6291 46.5028 0.0000 175.2069 52 K 4.2911 7.7642 119.1081 55.1282 32.5976 178.2137 53 L 4.8608 8.2128 121.2673 54.1485 45.3607 176.7011 54 T 4.5651 8.8796 119.7980 59.7125 71.4435 171.9718 55 V 4.4793 8.3921 127.2436 60.3973 33.5503 174.2188 56 A 5.1136 8.3134 128.6340 50.1311 21.6172 174.7759 57 K 4.8719 9.2836 122.8688 55.3002 34.7406 176.0021 58 L 4.6981 8.9157 125.3427 53.4811 45.5478 174.8233 59 N 3.7466 8.6445 125.7081 52.8914 40.1210 174.7720 60 I 4.4927 7.9132 117.7177 60.1958 37.8984 175.5325 61 D 4.6909 10.5920 123.0850 55.7188 42.0815 177.3255 62 Q 4.2902 8.0792 116.1586 56.8917 29.2990 175.4971 63 N 4.9842 7.5051 114.1775 50.7351 39.0825 172.7714 64 P 4.5252 0.0000 0.0000 63.4045 32.4917 178.5488 65 G 3.6711 8.1419 108.3576 48.6537 0.0000 175.1900 66 T 3.4647 8.3002 117.3302 65.9753 69.1580 175.9804 67 A 4.3064 8.2951 123.4471 55.1909 18.8178 176.4632 68 P 4.6813 0.0000 0.0000 62.3293 28.4540 175.3717 69 K 4.2628 7.2021 125.6961 55.6292 36.8475 176.0830 70 Y 4.9089 7.8683 116.0471 58.6437 38.3859 176.1220 71 G 3.9644 8.5001 104.8565 45.9412 0.0000 173.8394 72 I 3.4798 7.1590 120.8333 62.6013 37.1343 176.6781 73 R 4.6405 8.5772 121.1478 55.4568 31.5309 170.9784 74 G 4.3574 7.7109 104.2798 45.6702 0.0000 171.9175 75 I 4.6590 7.7071 111.1518 58.6967 39.9353 173.5801 76 P 4.8647 0.0000 0.0000 61.8099 30.1676 174.8692 77 T 3.9934 8.4533 123.9409 64.3441 69.7768 172.6965 78 L 5.2786 9.0019 126.8108 52.9308 44.6724 175.4341 79 L 5.0763 8.9279 123.2135 52.8332 45.4584 175.4339 80 L 4.9297 8.5444 126.1174 53.4444 43.2210 175.0954 81 F 4.1893 9.9291 129.9191 57.6285 40.0663 176.3945 82 K 4.8045 7.8156 125.1839 53.6026 31.5302 169.9717 83 N 4.1116 8.7554 124.6710 53.4383 35.3677 175.1765 84 G 4.1581 8.9139 118.6705 46.4949 0.0000 172.4901 85 E 4.7106 7.5165 114.7881 52.9809 32.5118 176.7141 86 V 3.0251 7.8256 117.0248 63.8153 32.1498 175.5096 87 A 4.2599 8.3169 129.6325 54.2831 19.0579 177.3302 88 A 4.6479 7.5164 115.2164 50.8740 22.9204 174.8965 89 T 5.1001 8.3741 118.2898 62.5149 72.2101 174.8052 90 K 4.4311 8.9378 127.6645 54.3774 36.6052 173.8208 91 V 4.3770 10.0453 126.3957 60.6597 32.7262 175.5616 92 G 4.2059 8.3040 114.1946 43.7648 0.0000 173.1922 93 A 4.4548 7.6860 123.9154 50.0865 17.3342 176.5654 94 L 4.2242 7.7070 121.0507 53.7792 42.9947 177.9759 95 S 4.2932 9.6609 120.3202 58.5959 63.4070 176.1890 96 K 4.2286 8.6824 122.4938 56.7202 31.4272 179.1667 97 G 4.0431 7.8819 102.7184 46.8981 0.0000 175.7043 98 Q 4.1116 9.4782 123.2465 59.3466 28.6357 179.4998 99 L 4.1141 8.6919 126.2205 60.0265 40.6248 182.1458 100 K 4.5860 8.2858 126.3207 59.4737 31.4668 180.9153 101 E 4.5050 7.9148 118.9027 61.7328 29.9100 184.5970 *102 F 4.3849 8.1427 122.9396 62.8410 38.0938 179.5634 103 L 4.3569 8.8524 125.6398 58.3082 40.2442 182.5986 104 D 4.6623 8.2433 116.0001 56.5021 40.2580 181.2476 105 A 4.4063 7.6290 119.1865 53.2240 18.1761 177.5392 106 N 4.8551 9.1772 112.5605 52.6824 41.6026 174.3910 107 L 4.1864 7.3288 123.5458 54.9229 42.0903 175.6389 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 K 8.31 4.31 0.00 1.79 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 4 I 7.21 4.27 1.78 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 1.30 0.84 0.89 0.00 0.00 5 I 9.25 3.78 1.94 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 1.19 0.56 0.87 0.00 0.00 6 H 8.43 5.31 0.00 3.04 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.15 4.35 0.00 1.52 1.73 0.94 0.66 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 8 T 8.28 4.65 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 1.23 0.00 0.00 9 D 9.01 4.72 0.00 2.65 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 10 D 7.99 4.50 0.00 2.66 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 11 S 8.25 4.29 0.00 3.86 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 12 F 8.80 4.03 0.00 3.12 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 13 D 8.78 4.19 0.00 2.80 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 14 T 7.93 4.04 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 15 D 7.67 4.67 0.00 2.88 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 3.97 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 -1.21 0.00 0.00 0.15 0.00 0.00 17 L 7.42 3.90 0.00 1.78 1.76 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.74 4.45 0.00 1.77 1.76 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.40 7.81 19 A 7.80 3.58 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 20 D 7.10 5.02 0.00 2.83 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 21 G 8.84 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 0.00 0.00 0.00 22 A 8.45 4.93 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 23 I 8.41 5.33 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.62 0.87 0.00 0.00 24 L 8.51 4.73 0.00 1.77 1.58 0.99 0.89 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 25 V 8.98 4.13 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 0.74 0.00 0.00 0.76 0.00 0.00 26 D 8.90 5.25 0.00 2.89 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 27 F 9.59 5.37 0.00 3.16 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 28 W 7.90 5.15 0.00 3.39 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 29 A 8.61 3.93 0.27 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 30 E 9.06 4.42 0.00 2.14 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 0.00 2.43 2.52 0.00 31 W 7.48 4.72 0.00 3.57 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 32 C 7.75 4.55 0.00 2.36 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 33 G 8.81 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 0.00 0.00 0.00 34 P 0.00 4.23 0.00 2.16 2.14 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 35 C 7.60 4.16 0.00 3.24 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 36 K 8.17 4.14 0.00 1.85 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 37 M 7.75 4.38 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.16 0.00 38 I 8.23 3.87 1.85 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 1.42 1.14 0.92 0.00 0.00 39 A 7.55 3.62 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 40 P 0.00 4.19 0.00 2.13 2.08 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 41 I 7.93 3.71 2.03 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 1.64 0.88 0.94 0.00 0.00 42 L 8.28 4.06 0.00 1.66 1.69 0.92 0.96 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 43 D 7.94 4.60 0.00 2.71 2.70 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 44 E 8.29 4.33 0.00 1.98 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 2.24 2.22 0.00 45 I 7.78 3.94 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.25 1.13 0.00 0.00 46 A 8.20 4.25 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 47 D 7.90 4.42 0.00 2.75 2.68 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 48 E 8.05 4.62 0.00 2.05 1.86 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 2.26 2.22 0.00 49 Y 7.77 5.15 0.00 3.28 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 50 Q 7.46 4.07 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 51 G 9.46 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 0.00 0.00 0.00 52 K 7.76 4.29 0.00 1.78 1.72 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 0.98 7.81 53 L 8.21 4.86 0.00 1.29 1.39 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.88 4.57 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 1.21 0.00 0.00 55 V 8.39 4.48 2.07 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 0.91 0.00 0.00 0.97 0.00 0.00 56 A 8.31 5.11 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 57 K 9.28 4.87 0.00 1.73 2.03 0.00 0.75 0.00 0.00 0.90 0.00 0.00 2.63 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.27 7.81 58 L 8.92 4.70 0.00 1.58 1.11 0.75 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.64 3.75 0.00 1.56 2.20 0.00 0.00 6.79 7.82 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 60 I 7.91 4.49 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.58 1.07 0.00 0.00 61 D 10.59 4.69 0.00 2.71 2.66 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 62 Q 8.08 4.29 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 63 N 7.51 4.98 0.00 2.77 2.92 0.00 0.00 6.60 7.91 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 64 P 0.00 4.53 0.00 2.17 2.16 0.00 3.90 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 65 G 8.14 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 0.00 0.00 0.00 66 T 8.30 3.46 4.04 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 0.00 0.00 0.16 0.00 0.00 67 A 8.30 4.31 1.58 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 0.00 0.00 68 P 0.00 4.68 0.00 2.16 2.10 0.00 3.77 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 2.16 2.14 0.00 69 K 7.20 4.26 0.00 1.73 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 0.92 7.81 70 Y 7.87 4.91 0.00 2.77 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 71 G 8.50 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 72 I 7.16 3.48 1.84 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 1.06 0.53 0.90 0.00 0.00 73 R 8.58 4.64 0.00 1.77 1.75 0.00 3.26 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 74 G 7.71 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 0.00 0.00 0.00 0.00 75 I 7.71 4.66 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.43 0.99 0.00 0.00 76 P 0.00 4.86 0.00 2.23 2.18 0.00 3.38 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.83 0.00 77 T 8.45 3.99 4.16 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 1.08 0.00 0.00 78 L 9.00 5.28 0.00 1.74 1.59 0.94 0.36 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 79 L 8.93 5.08 0.00 1.93 1.36 0.80 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.54 4.93 0.00 1.73 1.50 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.93 4.19 0.00 3.22 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 82 K 7.82 4.80 0.00 1.50 1.54 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.27 7.81 83 N 8.76 4.11 0.00 2.95 2.99 0.00 0.00 6.91 7.90 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 84 G 8.91 4.16 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 0.00 0.00 0.00 85 E 7.52 4.71 0.00 1.88 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 2.22 1.83 0.00 86 V 7.83 3.03 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 0.41 0.00 0.00 0.65 0.00 0.00 87 A 8.32 4.26 1.24 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 0.00 0.00 0.00 88 A 7.52 4.65 1.14 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 0.00 0.00 89 T 8.37 5.10 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 1.15 0.00 0.00 90 K 8.94 4.43 0.00 1.40 1.62 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.25 7.81 91 V 10.05 4.38 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 0.94 0.00 0.00 0.91 0.00 0.00 92 G 8.30 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 0.00 0.00 0.00 0.00 93 A 7.69 4.45 1.25 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 0.00 0.00 94 L 7.71 4.22 0.00 1.65 1.63 0.92 0.98 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 95 S 9.66 4.29 0.00 3.95 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 0.00 96 K 8.68 4.23 0.00 1.80 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.02 7.81 97 G 7.88 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 9.48 4.11 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 99 L 8.69 4.11 0.00 1.60 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.29 4.59 0.00 1.75 1.85 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 101 E 7.91 4.50 0.00 1.97 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 2.20 2.18 0.00 *102 F 8.14 4.38 0.00 2.38 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 0.00 103 L 8.85 4.36 0.00 1.62 1.57 0.92 0.91 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 0.00 104 D 8.24 4.66 0.00 2.61 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 0.00 105 A 7.63 4.41 1.36 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 0.00 0.00 0.00 106 N 9.18 4.86 0.00 2.64 2.75 0.00 0.00 6.73 7.73 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 0.00 107 L 7.33 4.19 0.00 1.48 1.37 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.