NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7962 8.3549 109.7367 45.3538 0.0000 177.0125 *2 D 4.4079 8.7220 121.2183 53.3698 41.2603 174.6390 3 N 4.6505 8.2744 119.0108 51.9083 38.3996 174.1931 4 P 4.3753 0.0000 0.0000 65.0311 32.5497 175.6315 5 V 4.1915 7.0892 121.8121 61.4405 32.6386 174.5184 6 N 4.8865 8.6837 127.0115 51.6101 41.3342 173.2854 7 I 4.1524 8.3263 127.6887 61.1811 37.7870 175.6202 8 L 4.5628 8.6962 128.3721 53.6256 42.9780 176.7802 9 N 4.7045 8.8213 120.2996 51.7866 38.9155 175.9498 10 E 4.0046 8.9992 120.0639 60.5228 29.2659 180.4401 11 Q 4.0068 8.0449 119.8811 60.2074 28.2568 180.0885 12 E 4.0665 8.9667 120.9807 59.1040 29.5140 179.2601 13 A 3.8674 8.2667 121.2224 55.0793 18.2226 179.4769 14 L 3.9292 7.8674 117.7563 58.3808 42.0497 178.6684 15 E 4.0576 8.4461 118.8740 59.4137 29.2437 179.3871 16 R 3.4664 7.6812 118.7896 59.0648 29.4448 178.5834 17 L 4.4237 7.7663 118.4286 57.8119 41.3943 179.3350 18 Q 4.1606 7.6628 116.7542 58.2397 28.7652 177.1707 19 S 4.5328 7.7723 110.5614 58.8187 63.6774 174.3111 20 V 4.6854 7.5640 113.0928 59.8785 35.1732 175.2457 21 S 4.1292 8.5491 115.0809 58.1620 65.3233 172.9288 22 L 5.1876 8.1595 123.1014 53.7824 43.4213 175.5008 23 G 4.1702 9.5385 113.4701 45.0859 0.0000 170.7683 24 R 5.2223 8.1521 117.2874 54.4349 34.8482 174.6710 25 V 4.8604 8.8653 122.9291 61.2053 34.3480 174.2162 26 V 4.5482 9.0919 128.3826 61.5018 33.0596 175.0355 27 V 4.8540 8.4593 121.0476 59.7024 34.9818 175.1642 28 R 4.7531 8.2310 121.2936 54.9975 33.8214 173.9267 29 R 4.5772 8.8237 125.7693 55.0858 32.7971 176.8649 30 S 3.6712 8.4545 124.8030 60.1702 61.8827 173.1852 31 D 4.7475 9.1493 126.0305 54.9101 40.7326 175.1934 32 E 4.4074 8.1020 120.6017 54.5677 32.0342 174.0173 *34 D 4.5357 8.0445 118.4109 54.3192 42.8890 173.5450 35 I 4.6704 7.6109 120.5530 58.9931 40.9463 174.0798 36 F 5.2177 8.7698 128.1414 54.8032 41.6784 173.1638 37 P 4.9147 0.0000 0.0000 63.1635 32.1402 176.1277 38 V 4.7362 9.1563 114.4455 59.8681 36.4724 174.1317 39 N 5.4040 8.9327 121.3050 53.0547 39.3537 174.3439 40 F 5.4092 8.9251 117.6993 55.5654 42.0393 173.5411 41 I 4.4959 8.7364 118.0284 59.4694 41.4599 173.6593 42 V 4.7860 8.4743 128.6558 61.9971 33.3561 175.0224 43 D 4.4701 9.6564 126.7494 54.2989 43.9363 175.3467 44 K 3.9970 9.8691 128.0238 57.6499 29.5556 176.5441 45 G 3.9241 8.5708 105.3286 45.2417 0.0000 173.3844 46 A 4.7566 7.7108 120.9293 50.1757 22.4589 175.3994 47 I 4.8079 8.2399 120.4483 59.8098 39.8582 174.5352 48 Y 5.1857 9.2088 124.0921 56.2796 41.2083 174.7660 49 I 5.1416 8.8220 123.7535 59.5838 41.3954 174.2766 50 R 4.6261 8.8116 126.9964 55.1721 31.0528 174.9876 51 T 4.6634 8.9924 121.5764 60.3422 69.8181 174.6709 52 A 4.3602 8.7189 130.0605 54.3298 19.4534 177.8017 53 E 4.5703 8.0252 115.5897 56.5772 30.6736 179.1786 54 G 3.7374 8.2014 108.0043 48.2252 0.0000 175.5231 55 N 4.4263 8.0621 118.4479 55.7620 38.4875 177.1574 56 K 3.8893 7.9980 119.2211 59.5729 32.3752 178.2313 57 L 4.1216 7.9953 117.9874 57.9728 41.6922 179.1587 58 F 4.3606 8.2805 119.0266 60.0015 40.5412 176.2843 59 S 4.4169 8.0108 116.3508 56.5835 60.7317 173.9527 *61 N 4.4696 7.9469 124.2935 52.6219 40.2623 175.1842 62 L 4.3042 7.7416 116.8914 54.1738 42.6576 176.8742 63 N 4.5214 9.0774 121.4439 53.8189 39.6558 175.1431 64 H 4.3803 8.8470 121.5849 58.7843 30.1699 175.1636 65 D 4.9833 8.5136 119.1323 54.3748 41.1372 176.5371 66 V 4.7430 9.5227 116.4725 59.7267 36.9555 174.0860 67 L 5.1932 8.4877 121.1237 53.1126 44.4261 175.5959 68 F 5.2875 9.4193 125.3555 56.3782 42.3300 173.4814 69 E 5.0345 8.4623 125.8451 54.4400 33.2347 173.9793 70 A 4.9912 8.6130 125.9310 50.9336 23.2566 174.4826 71 D 4.0394 8.0096 117.6258 52.7345 42.5196 174.0057 72 E 4.3271 7.2678 116.9473 55.1846 33.6070 174.3840 73 V 4.5571 8.1287 125.5129 61.0604 33.3591 174.7780 74 K 4.3906 9.3744 128.2892 56.5678 35.7242 175.2483 75 D 4.6040 9.5047 125.9860 55.9143 38.1923 173.8354 76 G 4.0407 8.1213 101.4682 46.0768 0.0000 172.2461 77 K 5.1253 8.0468 119.4247 54.2944 35.4372 174.9552 78 A 5.4331 9.5553 128.5777 50.1625 22.8685 174.6273 79 W 5.8349 8.5544 116.0306 55.4307 32.3061 173.7967 80 S 5.3340 9.7264 114.9987 56.8481 66.4688 172.8815 81 V 4.9547 9.3011 122.0132 61.2265 34.6239 174.1015 82 V 4.8716 9.1228 127.8785 61.0524 34.4000 174.1498 83 V 4.9050 9.2297 127.6032 61.2112 34.7272 174.0969 84 R 5.1087 8.9064 126.6465 54.8393 31.7843 175.3241 85 A 5.1455 9.0500 125.0184 50.6924 23.6882 174.4544 86 T 4.8429 8.4333 109.3486 60.4334 70.6304 173.7565 87 A 5.3076 9.1634 128.7340 50.6076 21.0959 175.9289 88 E 4.8587 8.6097 117.0853 54.9456 33.4795 174.5388 89 I 4.3811 8.4274 123.2203 61.2516 38.1611 175.7611 90 V 3.8337 9.1106 130.4662 63.8182 31.2365 176.1872 91 R 4.3560 8.7219 126.2623 58.0773 30.6991 174.3515 92 K 4.1375 7.8673 119.0533 56.2045 33.3589 178.1333 93 L 4.0594 8.6301 124.1468 57.7407 41.6241 179.3885 94 D 4.3815 8.0770 118.9323 56.5265 39.3602 178.4211 95 E 4.0548 8.1367 119.5647 59.0896 29.6003 179.1625 96 I 3.8210 8.1072 119.7831 64.2982 36.9841 178.2334 97 A 4.1693 7.9904 120.4977 55.4636 18.4168 178.7321 98 Y 4.0320 8.2175 117.7477 60.7788 38.9280 178.0795 99 A 3.2327 8.0194 121.7573 54.9285 18.0029 179.3385 100 D 4.6773 8.0542 118.0703 56.8488 40.9272 178.5422 101 T 3.9492 7.1004 108.9129 62.7032 69.3657 175.1189 102 L 3.9337 6.7392 124.0555 54.9700 42.6028 178.5130 103 E 4.2595 8.3165 119.1701 55.0616 27.7430 174.5815 104 L 4.6028 7.4705 125.1026 53.1614 44.5930 176.5172 105 K 4.0236 8.4989 128.1975 54.4695 31.9307 173.4065 *111 L 4.4301 8.3765 124.0629 52.9313 43.6367 176.7716 112 K 4.2815 7.8379 119.4994 54.9500 33.3979 174.4005 113 Y 4.9905 7.1866 122.0829 56.3997 41.0948 172.8159 114 N 5.1788 9.4089 116.5601 51.7626 43.4594 173.0192 115 Y 5.2505 8.5667 117.4355 56.4763 41.0286 174.8255 116 V 4.5427 8.8751 124.2733 61.3562 33.9606 174.1873 117 R 4.4368 8.8201 129.0879 54.9733 31.7894 174.8367 118 I 4.4178 8.6672 128.2511 59.7947 39.2037 174.9586 119 V 4.2942 8.2193 129.0247 60.4723 32.5656 173.8031 120 P 4.7297 0.0000 0.0000 63.0061 31.9763 175.7465 121 N 4.8099 9.3243 119.8747 54.4366 40.3080 175.3143 122 E 4.7538 7.9595 118.0315 54.4078 33.5896 174.1571 123 I 4.9810 8.4602 126.0330 59.8526 40.5325 174.7130 124 T 4.6349 9.2155 124.1283 61.6365 71.4832 173.4109 125 G 4.5831 8.7030 112.6772 44.4747 0.0000 171.3980 126 R 5.1595 9.2677 121.9888 54.0934 34.5356 173.8144 127 E 5.2650 8.9031 123.6749 54.4134 33.0667 174.4542 128 F 5.2462 10.0919 125.5630 55.9924 42.3602 174.3552 129 T 4.6413 8.7401 121.8183 62.8893 68.5905 175.1096 130 L 4.4253 8.7599 127.5141 53.6356 42.9721 177.3428 131 G 3.7994 8.4696 109.4519 44.8441 0.0000 173.5413 132 E 4.0799 8.7002 119.1925 56.5010 29.5292 176.6827 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 G 8.35 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 *2 D 8.72 4.41 0.00 2.70 2.65 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 0.00 0.00 0.00 3 N 8.27 4.65 0.00 2.87 2.94 0.00 0.00 5.84 7.76 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 4 P 0.00 4.38 0.00 2.22 2.40 0.00 3.70 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 2.13 2.01 0.00 5 V 7.09 4.19 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 0.34 0.00 0.00 0.93 0.00 0.00 6 N 8.68 4.89 0.00 2.76 2.54 0.00 0.00 6.83 7.41 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 7 I 8.33 4.15 1.84 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 0.59 0.89 0.00 0.00 8 L 8.70 4.56 0.00 1.52 1.54 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.82 4.70 0.00 2.97 2.94 0.00 0.00 6.94 7.65 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 10 E 9.00 4.00 0.00 2.03 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 2.41 2.39 0.00 11 Q 8.04 4.01 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 12 E 8.97 4.07 0.00 2.11 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 2.28 2.40 0.00 13 A 8.27 3.87 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 14 L 7.87 3.93 0.00 1.90 1.83 0.94 0.94 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 15 E 8.45 4.06 0.00 2.15 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 2.30 2.42 0.00 16 R 7.68 3.47 0.00 1.68 1.29 0.00 2.21 0.00 0.00 2.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 17 L 7.77 4.42 0.00 2.07 2.17 1.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.66 4.16 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 19 S 7.77 4.53 0.00 4.06 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 20 V 7.56 4.69 2.30 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 1.07 0.00 0.00 1.62 0.00 0.00 21 S 8.55 4.13 0.00 3.75 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 22 L 8.16 5.19 0.00 1.73 1.70 1.01 0.96 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 23 G 9.54 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.15 5.22 0.00 1.48 1.66 0.00 3.13 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 25 V 8.87 4.86 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 1.23 0.00 0.00 1.21 0.00 0.00 26 V 9.09 4.55 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 0.87 0.00 0.00 0.87 0.00 0.00 27 V 8.46 4.85 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 0.96 0.00 0.00 0.99 0.00 0.00 28 R 8.23 4.75 0.00 1.82 1.70 0.00 3.11 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 29 R 8.82 4.58 0.00 1.81 1.75 0.00 3.29 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 30 S 8.45 3.67 0.00 4.03 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 31 D 9.15 4.75 0.00 2.65 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 32 E 8.10 4.41 0.00 2.09 1.85 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 2.23 2.20 0.00 *34 D 8.04 4.54 0.00 2.67 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 0.00 0.00 0.00 0.00 35 I 7.61 4.67 1.72 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 1.25 1.09 0.79 0.00 0.00 36 F 8.77 5.22 0.00 3.04 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 37 P 0.00 4.91 0.00 2.14 2.09 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 38 V 9.16 4.74 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 0.90 0.00 0.00 1.26 0.00 0.00 39 N 8.93 5.40 0.00 2.67 2.79 0.00 0.00 6.71 7.45 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 40 F 8.93 5.41 0.00 3.16 3.17 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 0.00 0.00 0.00 41 I 8.74 4.50 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.47 0.96 0.00 0.00 42 V 8.47 4.79 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 0.92 0.00 0.00 1.20 0.00 0.00 43 D 9.66 4.47 0.00 2.77 2.71 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 44 K 9.87 4.00 0.00 2.00 1.88 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.51 7.81 45 G 8.57 3.92 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 0.00 0.00 0.00 46 A 7.71 4.76 1.07 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 0.00 0.00 47 I 8.24 4.81 1.55 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.47 0.23 0.00 0.00 48 Y 9.21 5.19 0.00 3.08 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 49 I 8.82 5.14 1.99 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 1.32 0.83 1.02 0.00 0.00 50 R 8.81 4.63 0.00 1.79 1.76 0.00 2.67 0.00 0.00 2.83 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.00 51 T 8.99 4.66 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 1.31 0.00 0.00 52 A 8.72 4.36 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 53 E 8.03 4.57 0.00 1.95 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 2.25 2.37 0.00 54 G 8.20 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 55 N 8.06 4.43 0.00 2.76 2.91 0.00 0.00 6.72 8.33 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 56 K 8.00 3.89 0.00 1.74 1.97 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.54 7.81 57 L 8.00 4.12 0.00 1.73 1.75 0.75 0.58 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 58 F 8.28 4.36 0.00 3.09 3.13 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 59 S 8.01 4.42 0.00 3.96 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 *61 N 7.95 4.47 0.00 2.69 2.83 0.00 0.00 7.27 7.85 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 62 L 7.74 4.30 0.00 1.62 1.61 1.05 1.13 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 63 N 9.08 4.52 0.00 2.71 2.72 0.00 0.00 7.18 7.59 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 64 H 8.85 4.38 0.00 3.13 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.51 4.98 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.52 4.74 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 0.78 0.00 0.00 1.07 0.00 0.00 67 L 8.49 5.19 0.00 1.61 1.55 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.42 5.29 0.00 2.96 2.84 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 69 E 8.46 5.03 0.00 1.78 1.46 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 2.28 2.29 0.00 70 A 8.61 4.99 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 71 D 8.01 4.04 0.00 2.38 2.52 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 72 E 7.27 4.33 0.00 1.41 1.12 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 2.08 2.12 0.00 73 V 8.13 4.56 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 0.82 0.00 0.00 0.79 0.00 0.00 74 K 9.37 4.39 0.00 1.76 1.65 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.43 7.81 75 D 9.50 4.60 0.00 2.89 2.73 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 0.00 0.00 0.00 0.00 76 G 8.12 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 77 K 8.05 5.13 0.00 2.05 1.81 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.54 7.81 78 A 9.56 5.43 1.17 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 0.00 0.00 0.00 0.00 0.00 79 W 8.55 5.83 0.00 3.63 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 80 S 9.73 5.33 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 81 V 9.30 4.95 2.34 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 1.04 0.00 0.00 1.07 0.00 0.00 82 V 9.12 4.87 2.12 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 1.00 0.00 0.00 0.95 0.00 0.00 83 V 9.23 4.91 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 0.93 0.00 0.00 1.07 0.00 0.00 84 R 8.91 5.11 0.00 1.82 1.85 0.00 3.29 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 85 A 9.05 5.15 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 86 T 8.43 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 1.26 0.00 0.00 87 A 9.16 5.31 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 88 E 8.61 4.86 0.00 2.11 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 0.00 2.40 2.32 0.00 89 I 8.43 4.38 1.81 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 1.39 0.77 0.87 0.00 0.00 90 V 9.11 3.83 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 0.85 0.00 0.00 1.18 0.00 0.00 91 R 8.72 4.36 0.00 1.86 1.81 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.00 92 K 7.87 4.14 0.00 1.94 1.94 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.55 7.81 93 L 8.63 4.06 0.00 1.74 1.73 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.08 4.38 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.14 4.05 0.00 2.25 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 0.00 2.42 2.41 0.00 96 I 8.11 3.82 1.96 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 1.67 1.06 1.14 0.00 0.00 97 A 7.99 4.17 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 98 Y 8.22 4.03 0.00 3.11 3.08 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 99 A 8.02 3.23 0.07 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 0.00 0.00 100 D 8.05 4.68 0.00 2.89 2.83 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 0.00 101 T 7.10 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 1.14 0.00 0.00 102 L 6.74 3.93 0.00 1.47 1.41 0.12 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.32 4.26 0.00 1.99 1.78 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 2.23 1.86 0.00 104 L 7.47 4.60 0.00 1.51 1.55 0.94 0.92 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 0.00 105 K 8.50 4.02 0.00 1.82 1.60 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 *111 L 8.38 4.43 0.00 1.66 1.82 0.93 0.95 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 0.00 112 K 7.84 4.28 0.00 1.63 1.65 0.00 1.50 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.34 7.81 113 Y 7.19 4.99 0.00 2.89 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 0.00 114 N 9.41 5.18 0.00 2.66 2.72 0.00 0.00 7.29 7.11 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 0.00 115 Y 8.57 5.25 0.00 3.09 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 0.00 116 V 8.88 4.54 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 1.02 0.00 0.00 1.00 0.00 0.00 117 R 8.82 4.44 0.00 1.60 1.68 0.00 2.98 0.00 0.00 2.72 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 118 I 8.67 4.42 1.65 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.82 0.00 0.00 119 V 8.22 4.29 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 0.93 0.00 0.00 0.91 0.00 0.00 120 P 0.00 4.73 0.00 2.07 1.97 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 121 N 9.32 4.81 0.00 2.62 2.85 0.00 0.00 6.67 7.94 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 0.00 122 E 7.96 4.75 0.00 1.99 1.73 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 0.00 2.28 2.33 0.00 123 I 8.46 4.98 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 1.37 0.80 0.95 0.00 0.00 124 T 9.22 4.63 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 1.25 0.00 0.00 125 G 8.70 4.58 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 0.00 126 R 9.27 5.16 0.00 1.88 1.40 0.00 3.09 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 127 E 8.90 5.27 0.00 2.02 1.71 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 2.28 2.42 0.00 128 F 10.09 5.25 0.00 3.02 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 0.00 129 T 8.74 4.64 4.29 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 1.25 0.00 0.00 130 L 8.76 4.43 0.00 1.62 1.62 0.91 1.02 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 0.00 131 G 8.47 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 0.00 132 E 8.70 4.08 0.00 1.95 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 2.30 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.