NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.0814 8.1614 120.0969 56.3456 34.6236 177.7153 4 G 3.5649 7.7117 105.3499 46.9736 0.0000 174.0725 5 R 3.0244 8.2432 121.4002 58.2274 30.4033 176.4160 6 D 4.3766 7.5290 118.4938 56.9952 41.0368 178.5350 7 I 3.7141 7.9147 120.7623 64.1149 37.0111 178.2228 8 L 3.9763 7.7989 120.7679 58.3674 41.9488 179.1783 9 T 3.7879 7.4292 114.4725 66.6109 68.5372 176.6094 10 K 3.9529 8.0630 121.4526 59.7864 32.1657 179.0008 11 T 3.9153 8.1114 116.1509 66.5068 68.2817 176.8127 12 I 3.6996 8.0215 121.9702 64.5598 37.2017 178.4232 13 I 3.7241 7.8662 120.5620 64.5574 36.9913 178.5181 14 L 4.0212 7.9768 119.3176 57.5958 41.4810 179.4190 15 A 4.0314 7.9749 120.8400 55.1625 18.2983 179.6369 16 L 4.0207 8.2223 117.6947 58.1388 41.4642 180.0670 17 R 4.0141 7.8282 117.0549 59.0230 30.0176 178.3926 18 E 4.0869 7.8167 118.2358 59.0895 29.6342 178.5933 19 V 3.6802 7.5209 117.2886 63.7897 32.0810 175.3134 20 A 4.5540 7.5997 118.8069 50.4457 22.5901 175.1815 21 P 4.2154 0.0000 0.0000 65.7334 31.5374 178.0865 22 G 3.9441 7.9599 103.9834 45.5759 0.0000 174.9528 23 L 4.0340 7.8503 122.9742 58.0657 41.9270 178.4031 24 E 3.9219 8.2414 118.4393 59.3613 29.6672 178.4892 25 A 3.9913 7.9879 120.2158 55.1061 18.6217 179.6231 26 V 3.5196 8.2984 117.1230 66.1521 31.6048 178.0883 27 L 3.9857 8.5110 120.4662 58.2330 41.9451 178.7726 28 E 3.9848 8.5847 118.5697 59.1875 29.3332 179.1602 29 A 3.9997 8.0837 121.0662 55.2641 18.4412 179.2116 30 H 4.0302 8.0862 116.2772 59.5157 29.9582 177.6064 31 L 3.9477 8.2405 121.3085 57.3793 41.4976 179.2966 32 R 4.2485 8.2000 115.3118 58.1615 29.6202 178.6660 33 A 3.9784 7.8090 121.3086 55.0755 18.4229 179.0222 34 T 4.2154 7.7160 112.8793 64.8390 69.0482 175.7253 35 L 4.6436 7.6250 116.4720 53.1046 43.5833 175.5467 36 N 4.2831 7.9457 115.4866 54.5337 37.8742 173.2979 37 S 4.8539 8.0474 110.0209 56.1345 66.8058 172.3056 38 G 4.4743 7.9573 108.8642 44.0392 0.0000 173.3667 39 I 4.0616 8.3588 118.6393 63.7009 37.0776 177.4796 40 E 4.1489 8.1454 117.8033 58.0262 29.4790 178.2967 41 L 4.0772 7.9834 121.4052 57.9246 41.8627 178.4322 42 A 3.7222 7.5753 120.3002 54.5510 18.1160 178.2822 43 Y 4.1235 7.5568 116.4729 60.2563 39.4877 176.9395 44 D 4.7770 8.1544 118.7296 56.5445 42.3586 176.8460 45 D 4.7523 8.5019 119.2973 50.9052 42.7819 173.0778 46 P 4.3574 0.0000 0.0000 65.5342 31.3081 178.2477 47 Q 4.1350 7.9711 119.8928 58.4216 29.0304 178.0107 48 K 4.4011 8.2998 121.9799 58.8916 32.1778 178.3548 49 F 4.0959 8.4702 120.9874 61.4268 39.2994 177.2449 50 K 3.9342 8.4017 117.9761 59.5494 31.7175 179.1986 51 E 3.9161 8.1739 118.6607 59.2240 29.1180 179.2992 52 A 3.9240 7.8954 120.3147 55.1841 18.7660 179.5878 53 V 3.4585 7.6043 116.8808 65.9888 31.4757 178.1618 54 S 4.2697 8.1563 113.0811 61.2976 61.9876 176.2143 55 K 3.9988 7.6302 119.6308 58.3228 31.7728 178.8378 56 L 3.7215 7.2295 120.3801 57.0724 42.2843 177.2630 57 F 4.8673 7.8529 112.6047 56.2594 41.0619 175.0723 58 G 3.9957 8.1199 107.6435 44.2833 0.0000 174.6128 59 E 3.8506 8.6009 118.9010 59.2036 29.4772 178.5166 60 Y 4.1733 7.4485 116.3566 61.1971 38.0843 178.3199 61 S 4.1278 8.2154 113.3812 61.2890 62.6003 175.8103 62 A 4.0701 8.1883 123.5670 55.2192 18.0435 179.8564 63 R 3.9197 8.3579 116.8839 59.3996 30.1514 179.2641 64 L 4.0123 7.9947 118.8438 57.7095 41.5160 179.3772 65 L 4.0295 8.1440 120.3826 57.9366 41.9412 178.5863 66 E 4.0072 8.3557 119.4075 59.6597 29.6071 178.7328 67 M 4.0716 8.2873 118.8351 58.4804 31.9926 179.0002 68 V 3.6675 7.9590 118.4131 65.8002 31.5815 178.2778 69 I 3.7411 8.2075 120.0948 64.4784 37.0151 178.3617 70 I 3.6982 8.0793 121.0011 64.3936 36.8843 178.4702 71 S 4.0727 8.1024 113.8895 61.2738 62.3857 176.4055 72 K 3.9397 8.1781 121.1529 59.5033 31.7362 179.1049 73 L 4.0071 8.2122 120.8454 58.1880 41.8547 179.1886 74 K 4.1302 8.2053 118.6346 59.3144 31.7214 179.5865 75 G 3.6287 7.9660 105.6733 46.8274 0.0000 174.9438 76 R 4.5307 7.6833 114.8293 56.0157 30.0456 176.8323 77 L 4.8031 7.4437 120.1446 53.8277 44.1854 176.0399 78 G 3.8423 8.7256 111.1449 45.8593 0.0000 174.3949 *81 I 4.0058 9.0924 123.1710 60.2156 40.1731 173.8381 82 E 4.3301 7.9032 119.2034 55.3341 29.4698 175.3501 83 A 4.4630 7.8148 122.2673 51.9698 21.7896 175.2412 84 N 5.0622 9.3005 119.5498 52.3089 40.1718 174.6994 85 S 4.8293 7.4926 112.8861 55.9903 67.4003 174.5164 86 L 4.0372 9.2913 124.4906 58.0969 41.8898 179.1042 87 E 3.9541 8.0861 118.4019 59.4248 29.4806 178.9622 88 E 4.0752 8.3265 118.6735 59.0153 29.4943 179.0258 89 L 3.9246 7.9597 120.5181 58.3220 42.3162 179.3623 90 V 3.5714 7.8183 118.0820 65.8580 31.5444 177.9535 91 S 4.0868 7.8849 112.7978 61.0578 62.0197 175.9527 92 E 4.1036 8.2385 121.5938 59.1673 29.2074 179.0755 93 I 3.7392 7.8112 119.9452 64.3842 37.0901 178.6167 94 R 4.0794 7.9462 118.5929 59.3733 29.6841 179.3043 95 K 4.0816 7.3809 115.9357 59.2597 32.0477 179.2016 96 I 3.7775 7.1651 119.7274 63.1345 36.9274 176.4163 97 Y 4.7546 7.2693 115.0382 56.8792 38.7485 176.3094 98 G 4.0752 8.1563 106.3671 46.6837 0.0000 173.7803 99 E 4.3205 8.9363 120.8774 56.8773 30.4122 176.1661 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 8.16 4.08 0.00 1.27 1.37 0.00 1.43 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.28 7.81 4 G 7.71 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.24 3.02 0.00 0.67 1.32 0.00 2.91 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.03 0.00 6 D 7.53 4.38 0.00 2.72 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 7 I 7.91 3.71 1.90 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 1.30 0.58 0.96 0.00 0.00 8 L 7.80 3.98 0.00 1.88 1.74 0.92 1.00 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 9 T 7.43 3.79 4.31 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 1.19 0.00 0.00 10 K 8.06 3.95 0.00 1.90 1.78 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 11 T 8.11 3.92 4.42 0.00 0.00 0.00 0.00 0.00 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 12 I 8.02 3.70 2.00 0.00 0.00 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 1.50 0.84 0.98 0.00 0.00 13 I 7.87 3.72 2.03 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 1.55 1.01 1.00 0.00 0.00 14 L 7.98 4.02 0.00 1.87 1.72 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.97 4.03 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 16 L 8.22 4.02 0.00 1.89 1.79 1.02 1.14 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 17 R 7.83 4.01 0.00 1.99 2.01 0.00 3.18 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 18 E 7.82 4.09 0.00 2.00 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 2.33 2.32 0.00 19 V 7.52 3.68 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 0.84 0.00 0.00 1.02 0.00 0.00 20 A 7.60 4.55 1.21 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 21 P 0.00 4.22 0.00 2.06 2.16 0.00 3.68 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 2.04 2.12 0.00 22 G 7.96 3.94 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 0.00 0.00 0.00 23 L 7.85 4.03 0.00 1.76 1.87 1.11 0.98 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 24 E 8.24 3.92 0.00 2.11 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 0.00 2.56 2.43 0.00 25 A 7.99 3.99 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 26 V 8.30 3.52 2.35 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 1.04 0.00 0.00 1.07 0.00 0.00 27 L 8.51 3.99 0.00 1.82 1.77 0.86 1.17 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 28 E 8.58 3.98 0.00 2.11 2.01 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 2.38 2.64 0.00 29 A 8.08 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.09 4.03 0.00 3.18 3.44 0.00 5.79 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 31 L 8.24 3.95 0.00 1.74 1.84 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.20 4.25 0.00 2.04 2.29 0.00 2.77 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 33 A 7.81 3.98 1.31 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 0.00 0.00 34 T 7.72 4.22 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 1.13 0.00 0.00 35 L 7.63 4.64 0.00 1.69 1.62 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.95 4.28 0.00 2.82 2.82 0.00 0.00 6.90 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.05 4.85 0.00 3.89 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 38 G 7.96 4.47 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 0.00 0.00 0.00 39 I 8.36 4.06 1.91 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 1.86 0.67 0.92 0.00 0.00 40 E 8.15 4.15 0.00 2.16 2.17 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 2.38 2.31 0.00 41 L 7.98 4.08 0.00 1.99 2.03 0.99 1.01 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 42 A 7.58 3.72 0.46 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 43 Y 7.56 4.12 0.00 2.95 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 44 D 8.15 4.78 0.00 2.78 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 45 D 8.50 4.75 0.00 2.61 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 0.00 0.00 0.00 46 P 0.00 4.36 0.00 2.38 2.35 0.00 3.45 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 2.01 2.08 0.00 47 Q 7.97 4.13 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 48 K 8.30 4.40 0.00 1.91 2.00 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.32 7.81 49 F 8.47 4.10 0.00 3.35 3.23 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 50 K 8.40 3.93 0.00 2.07 1.87 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.79 7.81 51 E 8.17 3.92 0.00 2.21 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 2.32 2.53 0.00 52 A 7.90 3.92 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 53 V 7.60 3.46 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 0.98 0.00 0.00 0.24 0.00 0.00 54 S 8.16 4.27 0.00 3.98 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 55 K 7.63 4.00 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.57 7.81 56 L 7.23 3.72 0.00 0.85 1.34 0.32 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.85 4.87 0.00 3.05 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 58 G 8.12 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 59 E 8.60 3.85 0.00 1.87 1.61 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 1.86 2.20 0.00 60 Y 7.45 4.17 0.00 3.09 2.95 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 0.00 0.00 0.00 61 S 8.22 4.13 0.00 3.95 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 62 A 8.19 4.07 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 63 R 8.36 3.92 0.00 2.12 2.04 0.00 3.48 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 64 L 7.99 4.01 0.00 1.93 1.73 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.14 4.03 0.00 1.84 1.91 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.36 4.01 0.00 2.25 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 0.00 2.35 2.42 0.00 67 M 8.29 4.07 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 68 V 7.96 3.67 2.24 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 1.06 0.00 0.00 1.00 0.00 0.00 69 I 8.21 3.74 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.93 0.00 0.00 70 I 8.08 3.70 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.96 0.00 0.00 71 S 8.10 4.07 0.00 3.99 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 72 K 8.18 3.94 0.00 2.09 1.86 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.50 7.81 73 L 8.21 4.01 0.00 1.85 1.68 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.21 4.13 0.00 2.16 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 75 G 7.97 3.63 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 0.00 0.00 0.00 76 R 7.68 4.53 0.00 2.02 2.04 0.00 3.02 0.00 0.00 3.17 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 77 L 7.44 4.80 0.00 1.87 1.66 1.04 1.36 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 78 G 8.73 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 *81 I 9.09 4.01 1.86 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 1.41 0.86 0.90 0.00 0.00 82 E 7.90 4.33 0.00 1.98 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 2.25 2.28 0.00 83 A 7.81 4.46 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 84 N 9.30 5.06 0.00 2.70 2.79 0.00 0.00 6.84 7.72 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 85 S 7.49 4.83 0.00 4.00 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 86 L 9.29 4.04 0.00 1.80 1.75 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.09 3.95 0.00 2.09 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 0.00 2.39 2.45 0.00 88 E 8.33 4.08 0.00 2.16 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 2.31 2.30 0.00 89 L 7.96 3.92 0.00 1.98 1.80 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.82 3.57 1.92 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 0.39 0.00 0.00 0.89 0.00 0.00 91 S 7.88 4.09 0.00 4.04 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 92 E 8.24 4.10 0.00 2.18 1.94 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 2.47 2.62 0.00 93 I 7.81 3.74 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 1.25 0.00 0.00 94 R 7.95 4.08 0.00 2.14 2.09 0.00 2.97 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 95 K 7.38 4.08 0.00 1.94 1.83 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 96 I 7.17 3.78 1.22 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.09 0.00 0.00 97 Y 7.27 4.75 0.00 2.97 2.88 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 98 G 8.16 4.08 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 0.00 0.00 0.00 99 E 8.94 4.32 0.00 2.06 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 2.32 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.