NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 I 4.0416 8.0249 121.4498 61.2269 38.0389 174.7451 21 I 4.1031 8.2114 127.4727 59.4371 37.7619 174.1806 22 D 4.4421 8.6699 126.5066 56.2969 42.0263 176.1529 23 R 4.3844 7.1790 110.8393 55.8683 31.6311 173.0857 24 I 4.1507 8.2350 118.8364 60.7683 38.2903 175.3922 25 D 4.4657 8.5882 124.5679 56.2905 41.7967 174.9831 26 H 4.9605 7.7233 110.5226 56.4294 31.1762 172.1399 27 L 4.5641 8.2042 116.7175 55.1025 43.6905 173.9612 28 V 4.8485 8.3328 119.5759 61.2397 33.4220 174.4664 29 L 4.7421 8.9208 128.3340 53.4453 44.1268 175.5027 30 T 4.9607 8.4838 120.8719 62.8179 70.2089 174.3818 31 V 4.9546 9.0905 119.1539 59.5903 36.1485 176.9496 32 S 4.2360 8.6378 116.1810 60.7264 63.5568 175.0540 33 D 4.7740 7.7466 120.1115 51.4686 43.9170 175.4161 34 I 3.7567 9.1106 129.2807 64.5761 37.2477 178.3674 35 S 4.1675 8.1970 115.4974 62.2472 62.8027 176.9469 36 T 3.9360 8.0644 117.6927 66.9857 68.1707 176.9577 37 T 4.1071 8.0273 117.6333 66.7223 68.4836 176.8459 38 I 3.8903 8.5107 122.1441 64.3213 37.0762 178.3645 39 R 3.9066 8.0550 119.4919 59.4074 29.8552 178.1284 40 F 3.9459 8.0845 119.8031 61.7980 39.3397 176.8186 41 Y 3.5159 8.1667 116.0326 60.5235 37.5148 178.2357 42 E 4.4126 8.3010 121.1170 58.8818 29.5390 179.0630 43 E 3.9117 8.0906 117.4725 58.6282 29.5475 178.4088 44 V 3.6111 7.2522 117.6522 64.6818 31.8832 176.7822 45 L 3.9072 7.0592 115.7622 54.0852 41.9430 177.2702 46 G 4.0373 7.8532 106.1179 47.0174 0.0000 173.6225 47 F 4.9564 8.0681 118.9909 57.2273 40.8694 174.4049 48 S 4.8838 8.9846 115.3625 56.8447 65.5352 173.8413 49 A 5.0054 9.2686 127.5215 51.7474 19.7229 176.6987 50 V 4.6476 8.9393 113.1774 60.2084 37.0784 174.2749 51 T 5.2328 8.6026 118.2838 61.8911 70.7801 173.6652 52 F 4.9371 8.9841 121.3732 54.7171 42.0934 174.6941 53 K 3.8393 9.2124 115.3713 57.7479 29.2978 178.0007 54 Q 3.9254 8.7623 123.8403 57.3748 29.2876 174.0842 55 N 4.8693 8.4242 110.4348 53.2550 39.0671 173.5557 56 R 4.3505 7.9509 119.3421 55.0378 32.0063 175.4970 57 K 5.1949 8.5662 122.4781 55.3334 34.5551 175.2959 58 A 5.1860 8.9079 123.7848 50.7987 23.5191 174.9552 59 L 5.0896 9.0496 120.2359 53.1662 44.3609 175.8933 60 I 4.4588 9.0595 126.3128 60.2459 39.1040 175.0560 61 F 4.8965 8.2057 119.2793 55.6969 41.2837 174.5419 62 G 3.9023 8.9611 110.3844 47.2828 0.0000 173.7159 63 A 4.5625 8.5678 124.3957 51.4276 19.2763 175.6401 64 Q 4.7058 7.3541 119.2202 56.3168 33.3558 173.9073 65 K 4.4272 7.5087 115.8234 56.8392 36.7166 174.5244 66 I 4.9051 8.5313 120.4672 59.5676 40.5192 175.0420 67 N 5.0992 9.1824 125.7113 53.1036 39.8657 174.2521 68 L 5.2243 9.1504 123.3336 53.4148 44.0614 175.5845 69 H 5.0496 9.3533 121.0717 54.0942 31.4888 173.1454 70 Q 4.8329 8.6176 124.4609 54.8897 30.3772 175.2804 71 Q 4.2697 8.3802 123.0812 56.1719 29.6897 175.7884 72 E 3.4466 8.4845 118.4712 57.6899 26.0424 174.9644 *74 E 3.7885 7.9797 117.9454 55.7366 29.8329 175.6133 75 F 4.3944 7.7547 122.9129 57.4140 39.6434 174.9011 76 E 4.6820 8.5736 125.1817 53.7103 31.3217 173.7471 77 P 4.6107 0.0000 0.0000 62.4949 32.2938 175.1642 78 K 4.5887 8.0093 116.7016 55.2827 35.5632 175.4971 79 A 4.2815 8.3413 121.0232 52.1742 18.8390 178.0503 80 S 4.3328 8.5747 115.8032 61.1242 63.3903 175.5051 81 R 4.5907 7.4423 117.3851 53.1572 30.1886 171.9251 82 P 4.3009 0.0000 0.0000 62.9293 31.9145 176.5617 83 T 4.5618 8.2996 119.2937 60.9905 71.7908 171.7611 84 P 4.8131 0.0000 0.0000 63.4216 31.8722 176.5296 85 G 3.9636 9.1208 109.1428 46.9443 0.0000 174.1824 86 S 4.5278 7.6280 111.4643 57.7961 64.1909 174.1282 87 A 4.3715 7.6742 123.7286 51.8499 20.1807 176.1433 88 D 5.0940 8.5586 119.2521 52.5148 42.6563 173.5110 89 L 4.6023 9.0590 124.8159 52.5309 44.4921 174.7075 90 C 5.1159 8.2582 122.9552 57.5417 33.7074 172.7713 91 F 5.1508 9.4453 124.4777 55.8189 42.2697 174.1132 92 I 4.9399 8.5814 122.1597 60.2184 38.6223 174.9489 93 T 4.8413 9.0392 121.7386 60.4736 69.4355 174.1543 94 S 4.6199 8.7697 119.8106 58.6746 64.0877 174.4016 95 T 4.2932 7.5658 118.5975 61.9514 69.3433 172.8879 96 P 4.3633 0.0000 0.0000 63.0665 32.0641 177.0904 97 I 3.6391 8.8028 123.3211 64.6371 37.8749 177.7913 98 N 4.4129 8.1088 116.5407 56.0537 38.3062 177.0583 99 D 4.3369 8.1749 120.7406 57.2177 40.8770 178.7824 100 V 3.5167 7.7146 118.2823 65.9152 31.5910 177.8247 101 V 3.5641 7.8294 117.8979 66.3543 31.3468 178.2089 102 S 4.1145 7.9189 114.1766 61.6177 62.7630 176.4324 103 E 3.9746 8.4158 121.5140 59.6181 29.1832 179.6068 104 I 3.7091 7.9362 119.8139 64.1984 37.0706 178.5914 105 L 3.9883 7.8992 119.8658 57.9526 41.3035 179.5567 106 Q 3.9822 8.4238 116.8704 58.5177 28.6953 177.9438 107 A 4.2889 7.7454 119.3947 52.1869 18.7400 178.0931 108 G 3.8301 7.9638 105.4854 45.5784 0.0000 173.3533 109 I 4.2970 7.4579 120.4744 59.5737 38.2379 175.7617 110 S 4.4452 8.4351 119.8817 57.4809 64.0711 173.7433 111 I 4.1912 8.1755 124.9396 60.6207 37.4951 176.0253 112 V 3.7291 8.7681 126.7694 65.4072 31.7445 175.7352 113 E 4.5681 8.0136 117.1836 56.1753 32.0297 173.2652 114 G 4.1963 8.9396 109.9891 43.0150 0.0000 171.6105 115 P 4.7882 0.0000 0.0000 62.7469 31.8043 176.6655 116 V 4.5399 8.7485 123.2336 61.1307 34.9040 174.1204 117 E 4.4787 8.8290 128.1800 56.4767 30.6404 175.5571 118 R 4.7264 9.1561 124.4851 55.0713 35.5925 174.0452 119 T 4.5757 8.4839 116.8121 62.4700 68.6071 175.7609 120 G 3.7543 9.1475 117.1633 44.1149 0.0000 172.3046 121 A 4.2523 8.5989 121.5604 54.9151 18.3788 178.3628 122 T 4.7178 9.0773 105.6688 59.0397 69.4363 174.2729 123 G 4.3055 8.0676 109.9618 45.4762 0.0000 171.9003 124 E 4.7328 8.1650 119.3446 55.5866 30.6058 175.5637 125 I 4.3523 8.3480 119.0889 60.4299 40.8151 175.8054 *127 S 4.5867 8.6599 116.0941 58.3013 64.6724 171.9031 128 I 5.0736 7.9629 120.2656 59.7400 41.5504 173.3421 129 Y 5.4127 9.3228 126.6258 56.4185 41.2884 174.7157 130 I 5.0838 8.9134 115.4080 59.9689 41.8622 173.5660 131 R 5.2022 8.5377 120.6579 54.5037 33.2708 175.4904 132 D 3.3700 8.1203 121.4064 50.6664 41.7405 175.2942 133 P 3.9760 0.0000 0.0000 65.6950 31.0844 177.2758 134 D 4.4959 8.1082 115.3371 54.4193 41.2329 177.5836 135 G 4.0270 8.1541 108.1628 44.6928 0.0000 173.7658 136 N 4.6397 8.3755 117.5459 53.2252 40.1067 173.6567 137 L 4.9541 9.0429 124.5326 54.0141 43.9914 175.0907 138 I 4.9526 9.1556 127.6473 59.5449 40.0020 174.0231 139 E 4.6216 9.6737 129.3147 54.4043 32.0408 174.3763 140 I 4.8720 8.4771 128.6420 59.9284 39.3656 175.1521 141 S 5.0259 9.2823 122.6811 56.7124 67.5907 172.8108 142 Q 4.8159 8.2580 121.2867 54.3703 31.8800 174.4032 143 Y 4.0530 8.8153 123.9665 58.0502 38.7031 176.2155 144 V 3.8567 8.3810 123.0222 63.1948 31.5567 175.5737 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 20 I 8.02 4.04 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 1.06 0.90 0.00 0.00 21 I 8.21 4.10 1.87 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 1.41 0.16 0.90 0.00 0.00 22 D 8.67 4.44 0.00 2.65 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 23 R 7.18 4.38 0.00 1.85 1.88 0.00 3.17 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 24 I 8.24 4.15 1.88 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 1.29 0.57 0.91 0.00 0.00 25 D 8.59 4.47 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.72 4.96 0.00 3.21 3.16 0.00 5.41 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.20 4.56 0.00 1.77 1.78 0.99 0.46 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 28 V 8.33 4.85 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 0.63 0.00 0.00 0.95 0.00 0.00 29 L 8.92 4.74 0.00 1.64 1.61 0.93 0.55 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 30 T 8.48 4.96 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 1.24 0.00 0.00 31 V 9.09 4.95 2.33 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 0.86 0.00 0.00 0.99 0.00 0.00 32 S 8.64 4.24 0.00 3.99 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 33 D 7.75 4.77 0.00 2.76 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 34 I 9.11 3.76 1.92 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 1.59 0.54 0.98 0.00 0.00 35 S 8.20 4.17 0.00 4.07 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 36 T 8.06 3.94 4.41 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 1.23 0.00 0.00 37 T 8.03 4.11 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 38 I 8.51 3.89 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 1.00 0.00 0.00 39 R 8.05 3.91 0.00 1.96 2.12 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 40 F 8.08 3.95 0.00 3.13 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 41 Y 8.17 3.52 0.00 3.18 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 42 E 8.30 4.41 0.00 2.04 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 2.61 2.53 0.00 43 E 8.09 3.91 0.00 2.00 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 2.30 2.28 0.00 44 V 7.25 3.61 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 0.00 0.00 0.31 0.00 0.00 0.41 0.00 0.00 45 L 7.06 3.91 0.00 0.68 0.48 0.33 0.18 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 46 G 7.85 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 47 F 8.07 4.96 0.00 3.06 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 48 S 8.98 4.88 0.00 3.79 3.78 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 49 A 9.27 5.01 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 50 V 8.94 4.65 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 0.89 0.00 0.00 1.02 0.00 0.00 51 T 8.60 5.23 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 1.17 0.00 0.00 52 F 8.98 4.94 0.00 3.07 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 53 K 9.21 3.84 0.00 1.55 1.64 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.53 7.81 54 Q 8.76 3.93 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.24 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 55 N 8.42 4.87 0.00 2.76 2.79 0.00 0.00 6.96 7.53 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 56 R 7.95 4.35 0.00 0.67 0.92 0.00 2.50 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.89 0.00 57 K 8.57 5.19 0.00 1.77 1.80 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.43 7.81 58 A 8.91 5.19 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 59 L 9.05 5.09 0.00 1.64 1.81 0.88 1.05 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 60 I 9.06 4.46 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.20 0.76 0.00 0.00 61 F 8.21 4.90 0.00 2.74 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 0.00 0.00 0.00 62 G 8.96 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 63 A 8.57 4.56 1.16 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 64 Q 7.35 4.71 0.00 1.12 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.52 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 65 K 7.51 4.43 0.00 1.78 1.60 0.00 0.99 0.00 0.00 1.35 0.00 0.00 2.41 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.09 1.23 7.81 66 I 8.53 4.91 1.99 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.96 0.00 0.00 67 N 9.18 5.10 0.00 2.74 2.91 0.00 0.00 6.46 6.32 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 68 L 9.15 5.22 0.00 1.57 1.67 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 H 9.35 5.05 0.00 3.05 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.62 4.83 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.62 0.00 71 Q 8.38 4.27 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.29 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 72 E 8.48 3.45 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 2.16 2.23 0.00 *74 E 7.98 3.79 0.00 1.98 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 2.32 2.46 0.00 75 F 7.75 4.39 0.00 2.94 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 76 E 8.57 4.68 0.00 1.97 1.88 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 2.25 2.40 0.00 77 P 0.00 4.61 0.00 2.26 2.07 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 78 K 8.01 4.59 0.00 1.89 2.10 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.45 7.81 79 A 8.34 4.28 1.28 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 0.00 0.00 0.00 80 S 8.57 4.33 0.00 3.88 3.95 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 81 R 7.44 4.59 0.00 1.74 1.82 0.00 3.22 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 82 P 0.00 4.30 0.00 2.12 2.04 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 83 T 8.30 4.56 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 1.22 0.00 0.00 84 P 0.00 4.81 0.00 2.04 2.00 0.00 3.80 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 85 G 9.12 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 86 S 7.63 4.53 0.00 4.03 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 87 A 7.67 4.37 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 88 D 8.56 5.09 0.00 2.66 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 89 L 9.06 4.60 0.00 1.43 0.98 1.04 0.90 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 90 C 8.26 5.12 0.00 2.96 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 91 F 9.45 5.15 0.00 2.96 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 I 8.58 4.94 2.03 0.00 0.00 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 1.37 1.05 1.08 0.00 0.00 93 T 9.04 4.84 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 1.34 0.00 0.00 94 S 8.77 4.62 0.00 4.04 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 95 T 7.57 4.29 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 96 P 0.00 4.36 0.00 2.33 2.01 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 97 I 8.80 3.64 1.95 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 1.50 1.21 0.91 0.00 0.00 98 N 8.11 4.41 0.00 2.77 2.85 0.00 0.00 7.17 8.08 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 99 D 8.17 4.34 0.00 3.04 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 0.00 100 V 7.71 3.52 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 1.07 0.00 0.00 0.97 0.00 0.00 101 V 7.83 3.56 2.26 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 0.98 0.00 0.00 0.97 0.00 0.00 102 S 7.92 4.11 0.00 4.06 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 0.00 103 E 8.42 3.97 0.00 2.13 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 2.29 2.47 0.00 104 I 7.94 3.71 2.01 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 1.45 0.57 0.95 0.00 0.00 105 L 7.90 3.99 0.00 1.86 1.70 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.42 3.98 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 107 A 7.75 4.29 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 0.00 108 G 7.96 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 0.00 0.00 0.00 109 I 7.46 4.30 2.01 0.00 0.00 1.00 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 0.89 1.01 0.00 0.00 110 S 8.44 4.45 0.00 3.98 3.86 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 0.00 0.00 0.00 111 I 8.18 4.19 1.89 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 1.32 0.44 1.09 0.00 0.00 112 V 8.77 3.73 2.19 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 0.67 0.00 0.00 0.97 0.00 0.00 113 E 8.01 4.57 0.00 1.89 1.56 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 2.26 2.22 0.00 114 G 8.94 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 0.00 115 P 0.00 4.79 0.00 1.96 2.00 0.00 3.66 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 2.03 2.09 0.00 116 V 8.75 4.54 2.21 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 0.75 0.00 0.00 1.02 0.00 0.00 117 E 8.83 4.48 0.00 2.03 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 2.48 2.47 0.00 118 R 9.16 4.73 0.00 1.63 1.80 0.00 3.48 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 119 T 8.48 4.58 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 1.23 0.00 0.00 120 G 9.15 3.75 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 0.00 0.00 0.00 121 A 8.60 4.25 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 0.00 122 T 9.08 4.72 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 0.00 123 G 8.07 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 0.00 0.00 0.00 0.00 124 E 8.16 4.73 0.00 1.94 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 2.43 2.34 0.00 125 I 8.35 4.35 1.54 0.00 0.00 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 1.21 0.88 -0.09 0.00 0.00 *127 S 8.66 4.59 0.00 3.74 3.46 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 0.00 128 I 7.96 5.07 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.61 0.95 0.00 0.00 129 Y 9.32 5.41 0.00 2.89 2.81 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 0.00 130 I 8.91 5.08 1.96 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 1.31 0.92 0.96 0.00 0.00 131 R 8.54 5.20 0.00 1.63 1.77 0.00 3.17 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 132 D 8.12 3.37 0.00 1.88 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 0.00 133 P 0.00 3.98 0.00 1.97 2.10 0.00 3.23 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 134 D 8.11 4.50 0.00 2.71 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 0.00 135 G 8.15 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.38 4.64 0.00 3.04 2.93 0.00 0.00 6.53 6.02 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 0.00 137 L 9.04 4.95 0.00 1.77 1.60 1.12 1.11 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 0.00 138 I 9.16 4.95 2.02 0.00 0.00 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 1.28 1.07 1.19 0.00 0.00 139 E 9.67 4.62 0.00 1.62 1.69 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 1.82 1.47 0.00 140 I 8.48 4.87 1.83 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.27 0.91 0.00 0.00 141 S 9.28 5.03 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.26 4.82 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 143 Y 8.82 4.05 0.00 3.03 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 0.00 144 V 8.38 3.86 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 0.74 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.