NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4783 0.0000 0.0000 62.2268 32.9494 176.3819 6 T 3.9984 8.8142 112.1821 61.1396 70.7470 174.2262 7 I 3.7324 8.3585 122.1850 64.4577 37.3787 179.4216 8 N 4.4067 8.1119 117.5594 56.5786 38.7424 176.8462 9 Q 3.9839 8.2648 119.7891 59.0611 28.8270 178.7348 10 L 3.9371 7.8766 119.9240 57.6844 41.4362 179.3272 11 V 3.8374 8.2290 116.5569 64.5120 31.5469 177.0203 12 R 4.4723 7.5390 115.9520 56.9192 31.7774 177.1624 13 K 4.3513 8.6957 116.8698 56.8116 33.5527 177.9062 14 G 3.9907 7.2090 103.4208 45.0591 0.0000 172.9905 15 R 4.2426 8.1157 118.0757 55.1227 31.2696 175.8301 16 E 4.4272 8.2686 119.8892 53.9034 30.3137 175.3989 17 K 3.8880 8.6149 128.2522 56.6468 32.5927 176.0504 18 V 3.8707 8.2818 126.3582 62.1285 32.2762 175.1678 19 R 4.4898 8.2758 125.9095 54.0854 31.1293 176.0068 20 K 4.2023 8.4665 122.5383 56.1135 32.8298 176.7137 21 K 4.5152 8.1915 120.6019 54.1697 33.9536 176.3845 22 S 3.9795 8.6635 117.4109 59.3388 62.4515 174.0233 23 K 4.3639 8.4676 124.9695 56.5003 32.1297 177.9649 24 V 4.1785 7.2202 119.2004 61.5263 32.5266 171.9770 25 P 4.5001 0.0000 0.0000 61.7970 29.1240 175.7125 26 A 4.4810 7.9807 120.4113 50.4617 19.1945 175.7546 27 L 3.0782 8.5630 120.2058 57.6259 42.0759 174.8300 28 K 3.7780 8.9248 123.1777 55.9761 30.7908 175.7822 29 G 3.8465 7.5097 101.6949 47.1799 0.0000 173.3040 30 A 3.7153 7.9478 121.8445 48.9778 19.1416 177.0808 31 P 4.0302 0.0000 0.0000 65.2631 31.4564 176.4167 32 F 5.8074 7.3427 114.8613 56.6858 43.3782 173.8133 33 R 4.7684 8.7852 121.7150 54.6132 33.5429 174.1388 34 R 4.9508 8.7069 125.3120 55.9096 31.8174 175.2429 35 G 3.6635 8.8190 111.1304 44.9996 0.0000 170.6976 36 V 4.3552 9.2694 115.8680 60.9800 33.1795 174.7634 37 C 4.2497 8.2948 126.5808 59.1561 27.9949 173.8696 38 T 3.9891 8.6815 123.3338 66.0672 68.2830 175.0489 39 V 4.4912 7.1944 110.4074 60.7033 35.7852 174.8847 40 V 4.4343 7.8838 117.7085 61.5542 31.1232 174.6377 41 R 4.3278 7.8337 120.9771 57.0821 31.1014 175.0917 42 T 5.0554 8.2980 112.2677 62.3625 73.0581 173.5771 43 V 4.6460 8.8510 123.2633 61.3043 35.5634 174.2198 44 T 4.7326 8.4059 116.0413 59.7933 69.7340 172.7869 45 P 4.3896 0.0000 0.0000 62.8291 32.5736 176.0055 46 K 4.0793 8.6373 122.1551 56.0181 33.2388 180.8670 47 K 3.9000 7.0653 116.2967 55.1750 33.9336 173.6217 48 P 4.5587 0.0000 0.0000 63.8522 33.0193 176.1862 49 N 4.7393 7.7996 116.5530 52.8319 39.6020 174.0347 50 S 4.5363 7.3126 110.9582 56.7978 65.5922 174.5629 51 A 4.3115 7.8186 127.1296 53.1383 23.2279 176.6624 52 L 4.6724 8.0972 115.6359 54.5000 44.1421 176.2047 53 R 4.3841 8.8209 123.3496 55.3848 32.6731 176.1102 54 K 4.4626 8.1340 120.0386 55.2035 33.6393 175.5759 55 V 4.4302 7.5796 121.1829 62.0689 34.5511 176.7996 56 A 4.7771 7.9046 120.0354 52.0022 22.4337 175.5890 57 K 4.1649 7.9967 119.7684 57.7915 33.5384 175.8180 58 V 4.4865 9.4999 125.2071 61.1081 34.9723 174.6649 59 R 4.7317 8.5251 128.1231 54.7511 30.0613 175.1401 60 L 4.5681 9.3357 126.5667 54.7023 42.7715 178.1894 61 T 4.2137 8.9801 112.2618 62.8307 69.2978 174.8058 62 S 4.7146 7.9480 117.7962 58.1149 63.5779 176.3079 63 G 4.0461 7.9563 107.9655 47.5811 0.0000 174.1168 64 Y 4.2426 8.1283 118.6732 57.5524 39.3494 174.5430 65 E 4.9797 8.7900 123.9823 55.1267 30.3909 175.5593 66 V 4.4993 8.5245 117.7376 59.4447 36.2505 174.9916 67 T 4.9465 8.4738 117.5631 61.2224 67.8021 173.5625 68 A 4.8131 8.4782 131.4650 50.5753 21.2631 175.8423 69 Y 4.1511 8.9710 123.5157 57.7688 40.5192 174.7416 70 I 4.3972 6.5165 125.3871 58.2530 37.6396 173.9505 71 P 4.7231 0.0000 0.0000 63.0910 32.0669 177.5029 72 G 3.9959 9.0708 105.0739 45.4485 0.0000 172.7266 73 E 3.8541 7.9897 118.8210 57.6777 30.0228 177.3338 74 G 4.2664 7.6391 109.2174 44.0832 0.0000 171.3621 75 H 4.9813 8.2504 114.4181 54.2822 32.0559 173.1107 76 N 4.9641 8.4039 112.3811 51.8750 36.9978 173.3944 77 L 4.8183 7.6874 119.2214 53.7106 45.2645 176.3531 78 Q 4.7547 9.7600 121.4669 54.2914 32.3695 177.2101 79 E 4.4043 8.7969 117.7799 56.7687 28.3077 176.8006 80 H 4.7762 8.6247 117.8085 55.9053 32.7777 175.3485 81 S 4.8030 8.4757 116.7310 56.8808 62.2337 174.1705 82 V 4.0606 8.4506 126.6298 61.8977 32.4774 175.7369 83 V 4.8749 8.3161 122.7647 60.2928 35.8365 173.2165 84 L 5.2999 8.5317 121.1776 53.4259 44.7880 174.9221 85 I 5.2869 9.3820 127.0538 59.8102 39.7971 176.1886 86 R 4.5860 8.8466 119.6240 54.4888 31.2292 172.3562 87 G 3.6923 9.2088 116.0932 44.9960 0.0000 173.2673 88 G 3.7687 8.1074 107.8292 44.6071 0.0000 173.3827 89 R 3.8808 8.6245 125.5846 56.3293 30.4124 177.3520 90 V 3.9352 8.0484 122.3772 60.7788 30.8113 176.1079 91 K 3.8771 8.5967 127.9903 59.6079 31.9902 176.8643 92 D 4.4239 8.2963 117.8435 56.7018 41.2253 176.1636 93 L 4.5402 7.4227 122.7969 52.9664 40.6187 174.0315 94 P 4.4188 0.0000 0.0000 64.0618 31.8834 175.6930 95 G 4.1242 8.9718 109.0530 45.5460 0.0000 173.9419 96 V 4.0104 7.6203 119.7398 62.5953 31.5171 175.9203 97 R 4.7542 8.9705 124.8549 56.0004 32.6776 174.6302 98 Y 5.2543 8.3587 115.9450 56.4392 42.6113 173.8463 99 H 5.5012 8.9372 116.0534 54.3395 33.3281 172.5449 100 I 4.9116 8.1662 121.3778 59.8149 38.7846 175.8791 101 V 3.8425 8.5826 127.7426 62.4047 31.7137 175.7912 102 R 4.1503 8.5007 128.4549 56.4112 30.4169 176.0472 103 G 3.8028 7.5847 111.3372 45.0948 0.0000 173.4796 104 V 4.0624 7.0021 119.2803 61.8666 34.1952 175.9774 105 Y 3.8948 8.5066 124.5410 57.9018 35.7799 169.4996 106 D 4.3853 8.0829 117.9896 57.7970 41.2612 176.1759 107 A 4.2150 7.8402 121.5895 51.8057 18.1570 176.5147 108 A 4.4776 8.1187 125.2209 51.3559 20.3273 179.7816 109 G 4.1999 8.3943 107.6707 45.3718 0.0000 174.7572 110 V 4.3580 7.8538 113.0866 60.5146 31.8991 175.4564 111 K 4.1943 7.9607 122.7791 57.4116 32.7182 177.0279 112 D 4.8120 8.9783 120.6474 54.1333 38.1517 174.8003 113 R 4.4069 7.1726 118.6984 55.0779 30.9949 176.2728 114 K 4.5402 8.5779 121.2984 57.0191 36.1741 176.9432 115 K 4.2353 8.1271 118.6681 56.5234 30.0762 179.7058 116 S 4.3338 9.3194 108.8751 59.2514 63.8601 173.4469 117 R 4.7611 8.9065 120.3182 56.8581 34.1847 177.3210 118 S 4.1380 8.3677 110.8098 60.8969 63.0856 174.8213 119 K 4.1252 7.9207 120.2394 56.7397 32.7102 177.0841 120 Y 3.9213 8.3045 120.5624 56.8232 36.3853 169.1602 121 G 3.8961 7.5380 106.5514 46.4334 0.0000 172.1657 122 T 4.4400 7.5000 113.6943 61.5962 70.3939 174.2954 123 K 3.9114 8.5838 125.8879 55.6134 32.9537 176.7819 124 K 3.8836 8.4986 122.7557 56.0519 32.2845 175.3364 125 P 4.4916 0.0000 0.0000 61.3810 30.1245 176.0027 126 K 4.0052 8.2371 124.3926 57.7668 32.9217 176.0614 127 E 4.5382 7.9093 116.0943 56.0047 31.6921 174.1453 128 A 4.1566 8.2569 121.7181 51.3383 20.1840 177.4305 *129 A 4.1172 8.3491 119.7800 52.7707 18.9464 176.7980 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 5 P 0.00 4.48 0.00 2.06 2.10 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 6 T 8.81 4.00 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 1.27 0.00 0.00 7 I 8.36 3.73 1.87 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 1.52 0.85 0.91 0.00 0.00 8 N 8.11 4.41 0.00 2.83 2.81 0.00 0.00 7.23 6.74 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 9 Q 8.26 3.98 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 7.88 3.94 0.00 1.88 1.72 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.23 3.84 2.28 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 0.83 0.00 0.00 0.96 0.00 0.00 12 R 7.54 4.47 0.00 1.73 1.93 0.00 3.19 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.93 0.00 13 K 8.70 4.35 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.57 7.81 14 G 7.21 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 0.00 0.00 0.00 15 R 8.12 4.24 0.00 1.81 1.88 0.00 3.34 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 16 E 8.27 4.43 0.00 1.90 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 0.00 2.19 2.26 0.00 17 K 8.61 3.89 0.00 1.73 1.72 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.49 7.81 18 V 8.28 3.87 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 0.86 0.00 0.00 0.93 0.00 0.00 19 R 8.28 4.49 0.00 1.80 1.84 0.00 3.26 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 20 K 8.47 4.20 0.00 1.73 1.72 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 21 K 8.19 4.52 0.00 1.72 1.71 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.39 7.81 22 S 8.66 3.98 0.00 3.79 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 23 K 8.47 4.36 0.00 1.69 1.72 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.36 7.81 24 V 7.22 4.18 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 0.45 0.00 0.00 0.57 0.00 0.00 25 P 0.00 4.50 0.00 2.14 1.99 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 26 A 7.98 4.48 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 27 L 8.56 3.08 0.00 1.59 1.45 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.92 3.78 0.00 1.98 1.83 0.00 1.92 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 29 G 7.51 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 30 A 7.95 3.72 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 31 P 0.00 4.03 0.00 1.55 1.99 0.00 3.78 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 2.07 2.02 0.00 32 F 7.34 5.81 0.00 3.09 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 33 R 8.79 4.77 0.00 1.95 1.79 0.00 3.41 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 34 R 8.71 4.95 0.00 2.09 1.82 0.00 2.81 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 35 G 8.82 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 36 V 9.27 4.36 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 0.85 0.00 0.00 0.96 0.00 0.00 37 C 8.29 4.25 0.00 3.09 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 38 T 8.68 3.99 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 1.19 0.00 0.00 39 V 7.19 4.49 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 0.68 0.00 0.00 0.96 0.00 0.00 40 V 7.88 4.43 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 0.79 0.00 0.00 0.93 0.00 0.00 41 R 7.83 4.33 0.00 1.93 1.84 0.00 3.19 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 42 T 8.30 5.06 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 1.29 0.00 0.00 43 V 8.85 4.65 2.14 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 1.04 0.00 0.00 0.96 0.00 0.00 44 T 8.41 4.73 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 45 P 0.00 4.39 0.00 2.08 2.22 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 46 K 8.64 4.08 0.00 1.92 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 47 K 7.07 3.90 0.00 1.86 1.99 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.45 7.81 48 P 0.00 4.56 0.00 2.17 2.17 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 49 N 7.80 4.74 0.00 2.85 2.83 0.00 0.00 6.71 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 50 S 7.31 4.54 0.00 3.79 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 51 A 7.82 4.31 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 52 L 8.10 4.67 0.00 1.50 1.60 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.82 4.38 0.00 1.99 2.06 0.00 3.21 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 54 K 8.13 4.46 0.00 1.41 1.51 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.44 7.81 55 V 7.58 4.43 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 0.82 0.00 0.00 0.93 0.00 0.00 56 A 7.90 4.78 1.22 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 0.00 0.00 57 K 8.00 4.16 0.00 1.68 1.77 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.41 7.81 58 V 9.50 4.49 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 0.97 0.00 0.00 1.01 0.00 0.00 59 R 8.53 4.73 0.00 1.97 1.81 0.00 3.29 0.00 0.00 3.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 60 L 9.34 4.57 0.00 1.80 1.66 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.98 4.21 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 1.26 0.00 0.00 62 S 7.95 4.71 0.00 3.95 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 63 G 7.96 4.05 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 0.00 0.00 0.00 64 Y 8.13 4.24 0.00 2.89 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 65 E 8.79 4.98 0.00 1.79 1.89 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 2.21 2.36 0.00 66 V 8.52 4.50 1.79 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 0.73 0.00 0.00 0.44 0.00 0.00 67 T 8.47 4.95 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 1.27 0.00 0.00 68 A 8.48 4.81 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 69 Y 8.97 4.15 0.00 3.15 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 70 I 6.52 4.40 1.53 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.76 0.00 0.00 71 P 0.00 4.72 0.00 2.40 2.25 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 72 G 9.07 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 73 E 7.99 3.85 0.00 1.93 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 2.21 2.20 0.00 74 G 7.64 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 0.00 0.00 0.00 0.00 75 H 8.25 4.98 0.00 3.22 3.26 0.00 5.51 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 76 N 8.40 4.96 0.00 2.78 2.79 0.00 0.00 5.71 7.79 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 77 L 7.69 4.82 0.00 1.69 1.62 0.91 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 78 Q 9.76 4.75 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.15 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 79 E 8.80 4.40 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 80 H 8.62 4.78 0.00 2.99 3.23 0.00 5.65 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.48 4.80 0.00 3.89 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 82 V 8.45 4.06 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 0.76 0.00 0.00 0.86 0.00 0.00 83 V 8.32 4.87 2.16 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 0.78 0.00 0.00 0.99 0.00 0.00 84 L 8.53 5.30 0.00 1.53 1.36 1.07 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.38 5.29 2.09 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 1.37 0.85 1.27 0.00 0.00 86 R 8.85 4.59 0.00 1.84 2.46 0.00 3.21 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 1.66 1.61 0.00 87 G 9.21 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 88 G 8.11 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 89 R 8.62 3.88 0.00 1.74 1.86 0.00 3.33 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 90 V 8.05 3.94 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 0.31 0.00 0.00 0.98 0.00 0.00 91 K 8.60 3.88 0.00 1.69 1.83 0.00 1.74 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.52 7.81 92 D 8.30 4.42 0.00 2.77 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 93 L 7.42 4.54 0.00 1.96 1.87 1.16 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.42 0.00 2.08 2.06 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 95 G 8.97 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 0.00 0.00 0.00 96 V 7.62 4.01 2.18 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 1.22 0.00 0.00 1.11 0.00 0.00 97 R 8.97 4.75 0.00 1.93 1.76 0.00 3.23 0.00 0.00 3.60 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 98 Y 8.36 5.25 0.00 2.89 2.92 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 99 H 8.94 5.50 0.00 3.12 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.17 4.91 2.01 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 1.18 0.70 0.95 0.00 0.00 101 V 8.58 3.84 1.96 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 0.55 0.00 0.00 0.95 0.00 0.00 102 R 8.50 4.15 0.00 2.03 1.92 0.00 3.54 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 103 G 7.58 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 0.00 0.00 0.00 104 V 7.00 4.06 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 0.08 0.00 0.00 0.64 0.00 0.00 105 Y 8.51 3.89 0.00 3.24 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 0.00 106 D 8.08 4.39 0.00 3.03 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 0.00 107 A 7.84 4.21 1.39 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 0.00 108 A 8.12 4.48 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 0.00 109 G 8.39 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 0.00 110 V 7.85 4.36 2.09 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 0.94 0.00 0.00 1.10 0.00 0.00 111 K 7.96 4.19 0.00 1.78 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 112 D 8.98 4.81 0.00 2.73 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 0.00 113 R 7.17 4.41 0.00 1.95 1.86 0.00 3.39 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 114 K 8.58 4.54 0.00 1.68 1.81 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.44 7.81 115 K 8.13 4.24 0.00 1.72 1.18 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.41 7.81 116 S 9.32 4.33 0.00 4.08 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 0.00 117 R 8.91 4.76 0.00 1.84 2.05 0.00 3.66 0.00 0.00 3.54 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 118 S 8.37 4.14 0.00 3.97 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 0.00 119 K 7.92 4.13 0.00 1.78 1.35 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.43 7.81 120 Y 8.30 3.92 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 0.00 121 G 7.54 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 0.00 122 T 7.50 4.44 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 1.31 0.00 0.00 123 K 8.58 3.91 0.00 1.74 1.80 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.42 7.81 124 K 8.50 3.88 0.00 1.70 1.74 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 125 P 0.00 4.49 0.00 2.22 2.09 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 126 K 8.24 4.01 0.00 1.86 1.88 0.00 1.50 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.51 7.81 127 E 7.91 4.54 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 128 A 8.26 4.16 1.27 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 *129 A 8.35 4.12 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 * Residues marked with a * may have inaccurate shift predictions.