NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.4606 8.1844 120.6290 54.2255 42.6004 176.1447 1 V 3.5965 8.1106 125.2950 62.6851 32.2210 173.8343 2 K 4.2906 9.0729 126.2811 57.8784 35.1601 175.5540 3 K 4.8117 8.0068 123.8308 55.0688 33.4316 174.8853 4 V 4.8999 8.9839 128.7052 60.9624 34.4957 173.9435 5 L 5.0789 8.7298 129.6198 53.2573 44.2168 174.6952 6 L 5.0068 9.2628 129.9992 54.5789 43.6247 175.2185 7 I 5.1496 9.0746 127.4066 59.6848 40.2098 174.3351 8 N 5.4474 9.5207 124.2128 51.7771 41.8106 175.3066 9 G 4.3296 8.5320 112.0273 43.6540 0.0000 171.5932 10 P 4.3603 0.0000 0.0000 64.4391 31.5665 177.2200 11 N 4.6275 9.5506 117.2918 53.8146 38.3478 176.6543 12 L 3.9836 7.6486 118.1825 57.5136 41.8174 178.8966 13 N 4.2040 8.1933 114.9464 55.5210 37.0445 175.2989 14 L 4.3729 8.0747 117.9248 54.6701 42.5654 176.4103 15 L 4.4371 8.0105 120.8543 55.2286 41.1720 176.4585 16 G 4.3627 7.8130 110.4136 44.0706 0.0000 172.3975 17 T 4.3470 8.5564 114.0180 61.4358 69.8548 176.0426 18 R 4.1885 7.9665 121.6490 58.4286 31.0208 176.4495 *23 Y 4.5715 7.7138 115.0677 56.6954 40.4003 174.5720 24 G 3.8946 7.6342 107.3027 44.5489 0.0000 174.3986 25 T 4.0505 7.9880 110.1465 61.3160 67.3901 176.1931 26 T 4.4350 7.4547 119.3590 62.8360 68.8204 175.4863 27 S 5.3406 8.3950 121.0761 56.2970 64.8172 175.2268 28 L 3.8575 8.4125 122.1947 58.3814 41.6779 178.8288 29 S 4.2116 8.0364 112.5363 61.4839 62.1728 175.7477 30 D 4.3330 7.8066 120.9241 57.4675 40.5664 178.8074 31 I 3.5827 7.2892 119.4855 64.2956 36.9760 178.1911 32 E 3.8694 7.8762 119.0188 59.6758 29.2731 179.4426 33 Q 3.9544 8.1127 117.5478 58.9414 28.7386 178.9856 34 A 3.9561 8.2592 121.5974 55.0999 18.0304 179.5193 35 A 3.9709 8.1455 119.3741 55.3063 18.5002 179.8772 36 I 3.6819 7.9561 118.3983 64.7413 37.2107 178.5984 37 E 3.9805 8.4791 119.6077 59.1242 29.0013 178.8320 38 Q 3.9385 8.2847 119.2235 59.6218 29.1932 178.7215 39 A 4.1549 7.7435 120.7479 54.8149 18.3674 179.7899 40 K 3.9913 8.0301 117.0671 59.4913 32.0881 179.0906 41 L 3.9430 7.9544 117.9819 56.6532 42.6535 177.3939 42 K 4.1942 7.7705 116.6960 56.4383 32.7267 178.3512 43 N 4.4355 8.6053 116.0119 53.9734 38.0984 173.7281 44 N 4.8790 7.7879 115.3204 53.7728 38.1993 174.3630 45 D 4.4055 8.0416 113.1227 56.6982 38.6472 173.9343 46 S 4.7931 7.2354 111.0427 58.2967 64.9483 174.7534 47 E 4.7357 9.1268 121.0496 55.2184 33.4636 173.9643 48 V 4.9410 8.3034 124.9633 61.1996 33.8822 174.9035 49 L 4.5939 8.9874 128.5836 54.2627 43.4095 176.3188 50 V 5.0402 8.2478 113.7410 59.8435 35.1950 174.8569 51 F 5.0060 9.1753 125.1878 57.0514 43.2203 172.7990 52 Q 5.2715 7.1699 123.7198 54.4719 32.0608 173.3738 53 S 4.5663 8.2550 117.5297 57.7639 64.9908 173.6323 54 N 4.5882 8.8777 120.5245 54.4193 39.6402 175.6501 55 T 4.2084 7.8583 116.0230 62.4598 69.0594 174.2777 56 E 3.7499 9.0992 127.9039 59.7451 29.3262 178.9397 57 G 3.7088 7.9107 104.6367 48.2081 0.0000 175.2209 58 F 4.9060 7.9434 119.4473 60.5263 38.9549 177.9873 59 I 4.0064 7.9493 119.2108 64.2704 36.9715 178.4054 60 I 3.6435 7.6863 120.8659 64.4115 36.9645 178.1303 61 D 4.2341 8.4073 120.1406 57.2679 40.5092 178.9503 62 R 3.7780 7.7532 119.2114 59.3187 29.7498 178.5029 63 I 3.6185 7.7476 119.6729 64.6353 36.8974 178.0938 64 H 4.2592 8.1919 117.2767 58.9164 28.5002 177.7214 65 E 3.9394 8.3100 119.1847 59.1526 29.3977 178.6176 66 A 4.0681 8.1868 122.0444 55.0602 18.3093 179.4427 67 K 3.8407 7.7656 117.5253 59.9423 32.1881 179.3852 68 R 4.2467 7.5759 116.6874 58.3904 29.9764 177.7602 69 Q 4.4283 8.1379 117.9934 54.6958 29.2641 175.0519 70 G 3.9500 8.3885 106.2257 46.8157 0.0000 174.4198 71 V 3.7705 8.1748 120.0793 62.5067 31.9640 175.9728 72 G 4.0362 8.5968 114.3677 47.9690 0.0000 173.2366 73 F 5.0060 7.9098 120.9942 57.1369 43.1258 172.7749 74 V 5.0589 8.3194 123.0225 61.1145 34.9766 174.1530 75 V 4.9269 8.7984 127.3735 61.2270 33.9761 174.0042 76 I 5.0113 9.1849 128.2799 59.4114 41.1900 173.4267 77 N 5.4744 9.2864 128.9029 51.2943 39.4352 175.0382 78 A 4.2613 8.7746 128.9798 52.1548 20.3156 178.5631 79 G 3.7048 8.3545 105.8452 46.3330 0.0000 177.3063 80 A 4.1921 8.3919 125.1929 55.0143 18.6509 179.3777 81 Y 4.5587 7.7628 113.5369 61.0387 37.7218 178.3831 82 T 4.0081 7.7562 116.9046 66.8987 68.3858 174.9913 83 H 5.0188 8.3910 115.2800 56.2241 29.5073 175.7433 84 T 4.6854 7.9729 108.0590 61.2136 70.4073 174.1692 85 S 4.5268 8.5196 117.6448 56.2815 61.0912 174.2117 86 V 3.4033 7.5476 126.6706 64.4784 31.3829 177.5093 87 G 3.4320 7.7316 105.4673 47.9641 0.0000 175.2760 88 I 3.6067 7.7980 123.4305 63.9055 37.1775 178.4173 89 R 3.7964 7.5766 118.9497 59.6917 29.9580 178.4344 90 D 4.4068 8.2068 118.0146 56.8307 40.6989 178.6718 91 A 4.0337 7.8460 121.8735 54.8290 18.4626 179.6348 92 L 3.8574 7.6770 117.1902 58.0241 41.4996 179.7430 93 L 4.1607 7.8387 117.5921 57.8376 41.6082 179.6209 94 G 3.7142 8.1016 105.1967 47.3589 0.0000 175.1993 95 T 4.2025 7.9832 109.8181 61.2216 69.3821 175.0706 96 A 3.6968 7.8700 123.3177 53.0258 16.4719 177.1005 97 I 4.2406 7.6775 119.9658 61.2866 38.0753 174.6013 98 P 4.3930 0.0000 0.0000 62.7060 32.5871 175.2141 99 F 4.9088 7.4632 115.6074 55.5170 42.0700 172.7823 100 I 4.8445 8.9734 120.1298 59.4826 40.6186 174.3412 101 E 4.8847 8.8607 128.2599 55.3950 30.8842 174.9199 102 V 4.7796 8.9194 127.2293 61.3257 34.6454 173.8642 103 H 4.8803 8.6872 123.7215 53.9547 31.4226 174.2901 104 I 3.9473 8.8189 125.0184 63.8911 38.0428 176.2181 105 T 4.5333 7.7214 109.2218 59.3211 71.3917 173.8978 106 N 4.5615 8.3158 120.2949 52.3707 37.7188 175.2520 107 V 3.5214 8.2460 119.7395 64.4391 31.8793 178.5023 108 H 4.1480 8.3550 115.7799 58.0575 28.6403 176.4782 109 Q 4.1022 8.1098 117.1751 57.2139 28.6846 175.7258 110 R 4.5189 7.3628 117.1059 53.5848 32.8213 175.1705 111 E 3.7203 8.3782 116.5419 56.9002 29.9888 176.8563 112 P 3.6718 0.0000 0.0000 65.5337 31.9492 178.3389 113 F 4.2325 7.9263 112.3812 59.3242 37.6778 176.4703 114 R 4.0591 7.2581 118.8391 56.7030 30.2332 177.1602 115 H 4.4034 7.8026 115.7336 58.3340 28.9680 176.2043 116 Q 4.1884 7.4899 117.4577 55.5317 29.1261 175.4227 117 S 4.8479 8.1708 115.5963 56.9200 65.4153 173.1643 118 Y 4.5912 9.0877 123.4080 58.4660 38.4817 176.3394 119 L 4.6457 7.8752 120.3803 56.6607 43.2210 178.6503 120 S 4.2396 8.4165 115.2229 61.7926 62.7915 176.5098 121 D 4.4940 8.1359 116.6665 55.0573 39.4100 176.7643 122 K 4.2953 8.0039 117.8212 56.5992 33.2749 176.8019 123 A 2.7384 7.1374 121.6947 51.3523 18.8997 177.7396 124 V 3.7609 8.2732 121.4280 65.5191 32.2614 175.8777 125 A 4.6867 7.5412 119.6372 50.2197 23.3942 174.9393 126 V 4.5265 8.1389 117.7491 61.4595 34.1449 174.5449 127 I 4.4560 8.2406 129.2104 59.9329 39.6215 175.0361 128 C 4.7073 8.7376 125.8516 61.7324 33.2499 173.4097 129 G 3.9853 9.4153 115.9364 45.4734 0.0000 172.9307 130 L 4.4559 7.8317 119.4162 53.9913 42.9492 178.5385 131 G 3.9498 7.7222 105.8672 45.3271 0.0000 176.3266 132 V 3.9953 8.3840 111.4289 64.2469 32.1894 177.6172 133 Y 4.4376 8.3141 120.2630 59.8604 38.4629 177.7402 134 G 3.6910 7.8779 106.8241 48.3432 0.0000 174.8126 135 Y 4.1771 7.3930 119.2337 61.2201 37.9699 179.3727 136 T 4.0347 7.7880 115.5698 66.5211 68.7105 176.5316 137 A 3.8605 7.7370 122.5645 54.6445 18.3731 179.5593 138 A 3.9575 7.9268 119.4994 55.4620 18.3835 179.9958 139 I 3.7710 8.0699 118.5448 64.4739 36.9395 178.4289 140 E 3.9272 8.0630 118.6645 59.4405 29.5741 178.7070 141 Y 3.9582 8.0006 118.9516 60.8991 38.9900 177.1764 142 A 2.5800 8.1773 121.7109 55.1122 18.2140 179.6220 143 L 3.9046 7.9877 116.3998 57.2902 41.9077 178.2748 144 N 4.7343 7.5822 114.1507 52.8843 38.7405 173.7854 145 Y 4.2851 7.5385 120.0582 55.9100 40.2923 174.6981 146 Q 4.3563 7.6076 124.7569 54.5364 29.3168 176.0684 147 L 4.2892 8.8790 122.2552 55.4526 41.6588 177.2907 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 L 8.18 4.46 0.00 1.64 1.70 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 1 V 8.11 3.60 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 0.83 0.00 0.00 1.18 0.00 0.00 2 K 9.07 4.29 0.00 1.74 1.83 0.00 1.73 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.37 7.81 3 K 8.01 4.81 0.00 1.90 1.74 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 4 V 8.98 4.90 2.13 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 1.07 0.00 0.00 0.96 0.00 0.00 5 L 8.73 5.08 0.00 1.83 1.55 1.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.26 5.01 0.00 1.84 1.57 1.12 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.07 5.15 1.96 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 1.39 0.79 1.08 0.00 0.00 8 N 9.52 5.45 0.00 2.62 2.71 0.00 0.00 6.49 7.61 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 9 G 8.53 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.36 0.00 1.94 2.02 0.00 3.71 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 11 N 9.55 4.63 0.00 2.91 3.03 0.00 0.00 6.93 7.21 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 12 L 7.65 3.98 0.00 1.94 1.73 1.09 0.35 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 13 N 8.19 4.20 0.00 2.79 3.12 0.00 0.00 6.00 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 14 L 8.07 4.37 0.00 1.88 1.73 0.92 0.58 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 15 L 8.01 4.44 0.00 1.86 1.81 0.98 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.81 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 17 T 8.56 4.35 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 1.20 0.00 0.00 18 R 7.97 4.19 0.00 1.83 2.05 0.00 3.31 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 *23 Y 7.71 4.57 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 24 G 7.63 3.89 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 0.00 0.00 0.00 25 T 7.99 4.05 4.19 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 1.14 0.00 0.00 26 T 7.45 4.43 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 27 S 8.40 5.34 0.00 4.01 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 28 L 8.41 3.86 0.00 1.90 1.66 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.04 4.21 0.00 3.89 3.82 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 30 D 7.81 4.33 0.00 2.91 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 31 I 7.29 3.58 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.09 0.00 0.00 32 E 7.88 3.87 0.00 2.19 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 2.27 2.36 0.00 33 Q 8.11 3.95 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 34 A 8.26 3.96 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 35 A 8.15 3.97 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 36 I 7.96 3.68 2.02 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 1.72 1.10 0.92 0.00 0.00 37 E 8.48 3.98 0.00 1.97 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 2.66 2.46 0.00 38 Q 8.28 3.94 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 39 A 7.74 4.15 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 40 K 8.03 3.99 0.00 1.97 1.87 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 41 L 7.95 3.94 0.00 1.72 1.92 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.77 4.19 0.00 1.91 1.81 0.00 1.85 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.50 7.81 43 N 8.61 4.44 0.00 2.79 2.94 0.00 0.00 7.05 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 44 N 7.79 4.88 0.00 2.93 2.99 0.00 0.00 6.94 7.57 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 45 D 8.04 4.41 0.00 2.81 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 46 S 7.24 4.79 0.00 3.94 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 47 E 9.13 4.74 0.00 1.98 1.74 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 2.23 2.26 0.00 48 V 8.30 4.94 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 0.97 0.00 0.00 0.96 0.00 0.00 49 L 8.99 4.59 0.00 1.66 1.59 0.93 0.81 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 50 V 8.25 5.04 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 0.70 0.00 0.00 0.95 0.00 0.00 51 F 9.18 5.01 0.00 3.06 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 52 Q 7.17 5.27 0.00 1.89 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 53 S 8.25 4.57 0.00 3.94 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 54 N 8.88 4.59 0.00 2.77 2.85 0.00 0.00 6.96 7.54 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 55 T 7.86 4.21 3.82 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 0.46 0.00 0.00 56 E 9.10 3.75 0.00 1.30 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 2.06 1.59 0.00 57 G 7.91 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 0.00 0.00 0.00 58 F 7.94 4.91 0.00 3.40 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 59 I 7.95 4.01 2.11 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 2.00 1.12 1.01 0.00 0.00 60 I 7.69 3.64 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.72 0.00 0.00 61 D 8.41 4.23 0.00 2.78 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 R 7.75 3.78 0.00 0.84 1.47 0.00 2.47 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.35 0.00 63 I 7.75 3.62 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.87 0.00 0.00 64 H 8.19 4.26 0.00 3.30 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.31 3.94 0.00 2.16 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 2.48 2.30 0.00 66 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 67 K 7.77 3.84 0.00 1.86 2.02 0.00 1.53 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 68 R 7.58 4.25 0.00 1.87 1.98 0.00 3.19 0.00 0.00 3.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 69 Q 8.14 4.43 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 70 G 8.39 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 0.00 0.00 0.00 71 V 8.17 3.77 2.22 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 0.92 0.00 0.00 0.99 0.00 0.00 72 G 8.60 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 73 F 7.91 5.01 0.00 3.00 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 74 V 8.32 5.06 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 1.05 0.00 0.00 0.93 0.00 0.00 75 V 8.80 4.93 2.25 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 1.10 0.00 0.00 1.14 0.00 0.00 76 I 9.18 5.01 1.88 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 1.20 1.52 0.94 0.00 0.00 77 N 9.29 5.47 0.00 2.91 2.92 0.00 0.00 6.96 8.44 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 78 A 8.77 4.26 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 79 G 8.35 3.70 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 0.00 0.00 0.00 80 A 8.39 4.19 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 81 Y 7.76 4.56 0.00 3.18 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 82 T 7.76 4.01 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 1.30 0.00 0.00 83 H 8.39 5.02 0.00 3.29 3.49 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.97 4.69 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 1.33 0.00 0.00 85 S 8.52 4.53 0.00 3.59 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 86 V 7.55 3.40 1.76 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 0.83 0.00 0.00 -0.04 0.00 0.00 87 G 7.73 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 0.00 0.00 0.00 88 I 7.80 3.61 1.81 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 1.36 1.00 0.82 0.00 0.00 89 R 7.58 3.80 0.00 2.04 2.03 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 90 D 8.21 4.41 0.00 2.91 2.67 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 91 A 7.85 4.03 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 92 L 7.68 3.86 0.00 1.70 1.59 -0.00 0.20 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 93 L 7.84 4.16 0.00 1.65 1.76 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.10 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 0.00 0.00 0.00 95 T 7.98 4.20 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 1.30 0.00 0.00 96 A 7.87 3.70 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 97 I 7.68 4.24 1.85 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 1.35 0.61 0.87 0.00 0.00 98 P 0.00 4.39 0.00 1.05 1.69 0.00 3.57 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 99 F 7.46 4.91 0.00 3.05 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 0.00 100 I 8.97 4.84 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.97 0.91 0.00 0.00 101 E 8.86 4.88 0.00 2.26 1.87 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 2.21 2.23 0.00 102 V 8.92 4.78 1.80 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 0.24 0.00 0.00 0.75 0.00 0.00 103 H 8.69 4.88 0.00 3.07 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.82 3.95 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 0.99 0.00 0.00 105 T 7.72 4.53 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 1.25 0.00 0.00 106 N 8.32 4.56 0.00 2.75 2.76 0.00 0.00 6.84 7.71 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 0.00 107 V 8.25 3.52 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 0.56 0.00 0.00 0.64 0.00 0.00 108 H 8.35 4.15 0.00 3.17 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.11 4.10 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 110 R 7.36 4.52 0.00 1.82 1.69 0.00 3.16 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 111 E 8.38 3.72 0.00 1.16 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 2.42 2.33 0.00 112 P 0.00 3.67 0.00 2.04 2.04 0.00 3.74 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 2.08 1.96 0.00 113 F 7.93 4.23 0.00 3.21 3.32 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 0.00 114 R 7.26 4.06 0.00 1.52 1.75 0.00 2.90 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 115 H 7.80 4.40 0.00 3.17 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.49 4.19 0.00 2.27 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 117 S 8.17 4.85 0.00 3.80 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 0.00 118 Y 9.09 4.59 0.00 3.06 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 0.00 119 L 7.88 4.65 0.00 2.02 2.05 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.42 4.24 0.00 3.92 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 0.00 121 D 8.14 4.49 0.00 2.80 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 0.00 122 K 8.00 4.30 0.00 2.02 2.04 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.61 7.81 123 A 7.14 2.74 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.27 3.76 2.13 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 0.99 0.00 0.00 0.81 0.00 0.00 125 A 7.54 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.14 4.53 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 0.97 0.00 0.00 1.00 0.00 0.00 127 I 8.24 4.46 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.64 0.83 0.00 0.00 128 C 8.74 4.71 0.00 3.02 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 0.00 129 G 9.42 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 0.00 130 L 7.83 4.46 0.00 1.62 1.68 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.72 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 0.00 0.00 0.00 132 V 8.38 4.00 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 1.09 0.00 0.00 1.04 0.00 0.00 133 Y 8.31 4.44 0.00 3.07 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 0.00 134 G 7.88 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 0.00 135 Y 7.39 4.18 0.00 3.12 3.01 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 0.00 136 T 7.79 4.03 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 1.30 0.00 0.00 137 A 7.74 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.93 3.96 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 0.00 139 I 8.07 3.77 2.01 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 1.59 0.86 0.93 0.00 0.00 140 E 8.06 3.93 0.00 2.10 2.03 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 2.36 2.49 0.00 141 Y 8.00 3.96 0.00 3.10 3.02 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 0.00 0.00 0.00 0.00 142 A 8.18 2.58 1.04 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 0.00 143 L 7.99 3.90 0.00 1.63 1.71 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.58 4.73 0.00 2.62 2.65 0.00 0.00 6.85 7.43 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 0.00 145 Y 7.54 4.29 0.00 2.73 2.67 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 0.00 146 Q 7.61 4.36 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 147 L 8.88 4.29 0.00 1.67 1.67 0.96 0.98 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 * Residues marked with a * may have inaccurate shift predictions.