NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5422 8.3049 118.7962 54.5068 32.8040 172.8880 2 K 4.4830 8.1500 111.6067 58.3284 33.8721 175.8579 3 R 4.7135 9.6958 119.5852 56.1619 34.8600 174.9837 *4 F 5.1573 8.6164 117.1824 56.3939 41.5338 175.2321 5 V 4.3757 8.1694 121.4449 61.2630 33.0067 174.9911 6 E 4.7509 8.7771 126.7067 54.8040 32.5748 175.0232 7 T 4.6728 8.9716 118.1184 60.1977 70.5565 174.0165 8 D 4.5830 8.8122 128.4814 55.3117 39.9391 177.6926 9 K 4.2249 7.8556 120.3865 55.3612 32.1346 181.8515 10 A 4.8928 7.2573 118.2612 50.0182 22.1400 174.2087 11 P 4.2963 0.0000 0.0000 63.0039 31.9455 177.6159 12 K 3.9068 8.4688 123.6438 54.3701 32.0609 175.9912 13 A 3.9207 8.1973 127.0799 50.7765 17.2365 177.4696 14 I 3.8132 8.2074 122.3386 65.2434 37.9906 177.9274 15 G 4.0429 7.7580 110.9237 44.8978 0.0000 171.5946 16 P 4.6546 0.0000 0.0000 61.7795 30.9569 174.4680 17 Y 4.8725 7.2115 114.1445 56.9906 41.2610 174.0619 18 S 4.7270 8.2571 115.5888 56.4016 66.1979 174.5602 19 Q 4.3539 8.5419 121.0778 59.2104 29.6115 176.1967 20 A 5.0536 7.6577 117.8439 51.0110 23.3228 175.1894 21 V 4.7024 8.5742 118.2676 61.2635 34.9762 174.2456 22 V 4.8755 9.3590 129.2162 61.2029 33.7078 174.6641 23 V 4.5909 8.7400 127.7550 59.4735 34.0040 175.9274 24 G 3.8229 9.0790 116.4522 47.0306 0.0000 173.4049 25 N 4.8652 8.9082 123.0425 52.5281 37.6544 173.4602 26 M 5.1953 8.1964 119.2826 54.0904 35.0405 174.4537 27 M 4.8379 8.6398 122.0319 53.5902 35.8976 174.1873 28 F 4.8725 9.0613 124.5875 55.8404 41.5157 174.5133 29 V 4.5349 8.5507 125.0746 61.6880 32.9421 175.7666 30 S 4.5488 9.1568 124.2064 58.0262 63.7620 174.4306 31 G 3.8698 8.5856 110.0077 46.4647 0.0000 172.6922 32 Q 4.8867 9.2205 125.5625 54.4546 30.8306 175.0063 33 I 4.9031 8.1525 116.1548 57.9479 40.8695 174.6834 34 P 4.6977 0.0000 0.0000 62.6700 28.7701 174.1661 35 I 4.8885 7.4709 124.7421 60.0577 40.7245 174.9433 36 D 4.5292 8.8473 126.7636 53.1600 41.4623 175.4803 37 P 4.2541 0.0000 0.0000 65.3961 31.8313 177.5202 38 E 4.2054 8.3694 117.0391 58.8185 29.7180 177.5255 39 T 4.0606 8.1104 111.7316 61.8963 67.9015 175.9130 40 G 3.9936 8.2672 108.2297 45.9947 0.0000 173.0101 41 E 4.6833 7.3072 119.1196 54.3939 32.1503 175.3663 42 L 4.6275 8.2985 122.2186 54.4633 42.5073 177.1809 43 V 3.7135 8.5547 125.0114 62.9391 32.1515 175.0383 44 Q 4.5861 9.1883 128.6608 54.4102 31.5819 175.0034 45 G 4.1593 7.8614 116.0582 45.8852 0.0000 172.9101 46 T 4.2547 7.9244 116.2857 61.0131 71.1449 175.6400 47 I 3.6205 8.0959 120.6687 63.7906 37.8835 177.8622 48 E 3.9813 8.0863 119.4485 59.4590 29.2825 178.8399 49 E 3.9824 8.0220 118.2668 59.2959 29.4849 179.6577 50 K 3.9913 8.0087 118.4888 59.7416 32.0791 179.6323 51 T 3.8934 8.1096 116.1865 66.3476 68.2274 176.3706 52 E 3.8743 8.3982 121.5262 59.2076 29.5917 178.9189 53 R 3.8237 7.7440 118.4955 59.3504 30.1325 178.4563 54 V 3.5473 7.6909 117.9873 66.2805 31.4574 178.0963 55 L 3.7846 7.9080 118.4999 57.4727 41.2573 179.3842 56 E 4.0037 8.2766 119.0301 59.2742 29.4657 179.0625 57 N 4.3263 8.4373 116.9237 56.1453 38.6656 177.0764 58 L 3.9390 8.0236 121.8269 58.1423 42.1594 178.9294 59 K 3.9409 8.2784 119.3822 59.4961 32.1495 178.5474 60 A 4.0190 8.1396 121.0134 55.1627 17.8211 179.7660 61 I 3.6673 7.7297 118.0259 64.4210 37.1343 178.3553 62 L 4.0333 7.9232 119.7639 58.2817 41.1248 179.7405 63 E 4.3364 8.7212 119.0889 58.7061 29.1071 179.2870 64 A 4.2827 8.1506 120.4012 54.0396 18.4747 178.7948 65 G 4.1105 7.7387 101.5301 44.3126 0.0000 174.4450 66 G 3.9196 7.8812 107.0743 45.4505 0.0000 173.4830 67 F 4.8088 8.5801 118.7783 55.4509 41.4614 174.3501 68 S 4.9689 8.6860 115.5995 56.5263 66.2230 175.0165 69 L 4.1214 8.4850 121.3462 58.2335 41.4209 180.5873 70 K 3.8575 7.2727 119.0809 56.9813 31.8856 181.7330 71 D 4.6792 7.8669 116.6320 56.4199 41.1839 176.6708 72 V 4.1153 7.4752 119.7194 63.1391 31.9723 175.6063 73 V 4.3426 8.5664 119.8524 61.8815 34.4833 175.8157 74 K 4.9516 7.7180 120.7089 54.7658 35.7801 175.2200 75 V 4.8623 8.7658 126.1013 61.3990 35.7237 174.2614 76 T 4.6704 8.4556 121.7323 61.8022 72.1980 172.8467 77 V 4.2954 8.3239 127.4656 61.1638 33.3941 174.4282 78 F 5.4464 9.1886 126.8691 56.0684 41.9489 174.7105 79 T 5.8390 9.0118 111.8139 60.0722 72.7475 173.9883 80 T 4.6216 8.7505 109.5779 61.5381 70.1868 174.4963 81 S 4.5858 7.7705 116.1873 56.3744 65.3604 174.6765 82 M 4.3211 8.6040 126.3570 57.5654 31.5846 178.2422 83 D 4.3100 7.5027 118.5477 57.3367 41.1368 177.5121 84 Y 4.6949 7.3691 114.7586 58.5146 37.9971 176.8680 85 F 3.7478 8.3394 123.4060 61.5549 39.4353 176.7782 86 Q 3.9140 8.2247 116.5767 59.3422 28.5368 179.3563 87 R 4.1662 7.9992 118.3221 59.0603 30.1045 179.2251 88 V 3.6904 8.2413 118.5437 66.1679 31.5512 177.8124 89 N 4.2812 8.2283 116.4902 56.1147 38.0192 176.9303 90 E 3.9352 7.8593 119.8345 59.4433 30.1480 178.8716 91 V 3.8487 7.6545 118.3589 66.0193 31.5378 177.1584 92 Y 4.1831 8.5916 119.8219 61.1441 38.6513 178.4347 93 S 4.3153 8.8097 116.2090 61.7387 62.6863 176.7244 94 R 4.0360 7.9628 118.9180 58.1341 29.8119 177.5092 95 Y 4.0872 7.7607 115.0340 58.6363 39.2851 176.5826 96 F 5.0532 8.0098 117.2411 57.1143 39.9343 177.7929 97 G 3.7023 8.2671 113.0889 48.8008 0.0000 175.8521 98 D 4.4628 8.0354 118.7962 57.4658 41.3348 177.6047 99 H 4.3351 8.1815 114.4092 58.4117 29.2769 175.6674 100 R 3.8735 7.9798 116.5433 56.6127 27.1066 173.5572 101 P 4.7027 0.0000 0.0000 61.7539 33.4002 177.3625 102 A 4.2871 8.7039 122.1191 52.5255 19.4206 176.5996 103 R 5.5677 8.0524 118.0659 55.8130 33.4730 174.2920 104 S 4.7922 8.5207 119.0465 56.6317 67.1308 172.7254 105 F 5.0383 8.9168 125.3368 56.6504 41.5538 174.1528 106 V 4.7613 8.7835 118.7989 59.4974 36.1937 174.7078 107 A 5.0033 8.7148 124.5515 50.7406 20.2456 176.9475 108 V 4.1835 8.8125 116.7070 60.4080 33.8952 177.5752 109 A 4.0971 8.5918 123.7145 55.2378 18.5508 177.7674 110 Q 4.5848 7.4871 112.7755 55.1754 31.9748 172.8079 111 L 4.8041 8.0223 122.4304 51.6527 45.4944 174.1832 112 P 4.3005 0.0000 0.0000 64.3778 31.6262 177.0958 113 R 3.6194 9.1445 118.5002 56.6620 27.5988 175.7753 114 N 4.1917 7.8804 111.9763 54.3063 36.5936 175.1923 115 V 3.9778 7.5413 110.4218 61.5663 32.6799 176.0600 116 E 4.7161 8.4585 117.8376 55.6988 31.2447 175.7566 117 I 5.0681 7.5095 119.2594 59.5382 41.3486 173.5836 118 E 5.0174 9.2962 129.1747 55.0610 33.6790 173.6613 119 I 4.9725 8.8324 127.0326 59.5695 41.2183 174.4248 120 E 5.1129 8.7032 123.9549 54.9311 33.1179 174.3554 121 A 4.9347 8.1054 118.2055 51.2780 23.4306 175.2416 122 I 4.7469 8.7948 119.9735 59.3799 40.6799 174.9116 123 A 5.2256 8.7177 127.0770 50.2602 22.7112 175.0854 124 V 5.1203 9.0181 119.8322 61.3320 34.9726 174.3250 125 K 4.5893 8.3335 125.6344 55.9183 36.0276 175.7627 126 E 3.7358 8.7182 120.3750 56.4065 28.2121 175.0311 127 G 3.7704 8.3178 106.9597 47.0650 0.0000 173.0524 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 1 M 8.30 4.54 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 K 8.15 4.48 0.00 2.15 1.80 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.08 7.81 3 R 9.70 4.71 0.00 1.43 1.72 0.00 3.23 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 *4 F 8.62 5.16 0.00 2.39 2.20 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 5 V 8.17 4.38 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 0.82 0.00 0.00 0.94 0.00 0.00 6 E 8.78 4.75 0.00 1.93 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 0.00 2.16 2.24 0.00 7 T 8.97 4.67 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 1.29 0.00 0.00 8 D 8.81 4.58 0.00 2.82 2.77 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 9 K 7.86 4.22 0.00 1.84 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.25 7.81 10 A 7.26 4.89 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 11 P 0.00 4.30 0.00 2.08 2.02 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 12 K 8.47 3.91 0.00 1.77 1.61 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.01 7.81 13 A 8.20 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.21 3.81 1.91 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 1.33 0.77 0.92 0.00 0.00 15 G 7.76 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 16 P 0.00 4.65 0.00 2.24 2.16 0.00 3.92 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 2.06 1.99 0.00 17 Y 7.21 4.87 0.00 3.05 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 18 S 8.26 4.73 0.00 3.86 3.76 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 19 Q 8.54 4.35 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 20 A 7.66 5.05 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 V 8.57 4.70 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 0.96 0.00 0.00 0.95 0.00 0.00 22 V 9.36 4.88 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 1.26 0.00 0.00 0.87 0.00 0.00 23 V 8.74 4.59 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 0.96 0.00 0.00 1.00 0.00 0.00 24 G 9.08 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 0.00 0.00 0.00 25 N 8.91 4.87 0.00 2.99 3.06 0.00 0.00 5.81 7.66 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 26 M 8.20 5.20 0.00 1.71 2.16 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 27 M 8.64 4.84 0.00 1.03 0.57 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 28 F 9.06 4.87 0.00 3.00 2.94 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 29 V 8.55 4.53 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 0.97 0.00 0.00 0.88 0.00 0.00 30 S 9.16 4.55 0.00 4.00 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 31 G 8.59 3.87 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 0.00 0.00 0.00 32 Q 9.22 4.89 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 33 I 8.15 4.90 1.87 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 1.42 0.67 0.91 0.00 0.00 34 P 0.00 4.70 0.00 2.12 2.44 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 35 I 7.47 4.89 1.88 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 1.24 0.69 0.92 0.00 0.00 36 D 8.85 4.53 0.00 2.74 2.54 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 0.00 0.00 0.00 0.00 37 P 0.00 4.25 0.00 2.08 2.01 0.00 3.72 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 2.12 2.22 0.00 38 E 8.37 4.21 0.00 2.38 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 0.00 2.31 2.11 0.00 39 T 8.11 4.06 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 40 G 8.27 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 41 E 7.31 4.68 0.00 1.84 1.86 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 2.25 2.27 0.00 42 L 8.30 4.63 0.00 1.53 1.60 0.97 0.90 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 43 V 8.55 3.71 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 0.69 0.00 0.00 0.93 0.00 0.00 44 Q 9.19 4.59 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 45 G 7.86 4.16 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 0.00 46 T 7.92 4.25 4.40 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 1.22 0.00 0.00 47 I 8.10 3.62 1.52 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.03 0.94 0.00 0.00 48 E 8.09 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 2.43 2.49 0.00 49 E 8.02 3.98 0.00 2.15 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 2.34 2.36 0.00 50 K 8.01 3.99 0.00 1.75 1.80 0.00 1.55 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.57 7.81 51 T 8.11 3.89 4.39 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 1.26 0.00 0.00 52 E 8.40 3.87 0.00 2.20 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 2.37 2.46 0.00 53 R 7.74 3.82 0.00 2.02 2.07 0.00 3.21 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 54 V 7.69 3.55 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 1.13 0.00 0.00 1.00 0.00 0.00 55 L 7.91 3.78 0.00 0.87 0.40 0.64 0.81 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 56 E 8.28 4.00 0.00 2.17 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 2.59 2.55 0.00 57 N 8.44 4.33 0.00 2.88 3.05 0.00 0.00 6.64 7.07 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 58 L 8.02 3.94 0.00 1.75 1.81 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.28 3.94 0.00 2.01 1.99 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.49 7.81 60 A 8.14 4.02 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 61 I 7.73 3.67 2.02 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 1.53 1.05 0.91 0.00 0.00 62 L 7.92 4.03 0.00 1.93 1.84 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.72 4.34 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 2.35 2.33 0.00 64 A 8.15 4.28 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 65 G 7.74 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.88 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 67 F 8.58 4.81 0.00 3.22 2.99 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 68 S 8.69 4.97 0.00 3.95 3.93 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 69 L 8.48 4.12 0.00 1.59 1.51 0.82 0.44 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 70 K 7.27 3.86 0.00 1.78 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.28 7.81 71 D 7.87 4.68 0.00 3.01 3.04 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 V 7.48 4.12 2.42 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 0.65 0.00 0.00 1.12 0.00 0.00 73 V 8.57 4.34 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 0.70 0.00 0.00 0.96 0.00 0.00 74 K 7.72 4.95 0.00 1.79 1.54 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.46 7.81 75 V 8.77 4.86 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 0.93 0.00 0.00 0.57 0.00 0.00 76 T 8.46 4.67 4.11 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 0.00 0.00 0.00 0.40 0.00 0.00 77 V 8.32 4.30 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 0.00 0.00 -0.06 0.00 0.00 0.61 0.00 0.00 78 F 9.19 5.45 0.00 2.99 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 79 T 9.01 5.84 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 1.35 0.00 0.00 80 T 8.75 4.62 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 1.32 0.00 0.00 81 S 7.77 4.59 0.00 3.65 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 82 M 8.60 4.32 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 83 D 7.50 4.31 0.00 2.20 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 7.37 4.69 0.00 3.21 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 85 F 8.34 3.75 0.00 2.91 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 86 Q 8.22 3.91 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 87 R 8.00 4.17 0.00 1.95 2.03 0.00 3.30 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 88 V 8.24 3.69 2.42 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 1.27 0.00 0.00 1.14 0.00 0.00 89 N 8.23 4.28 0.00 2.76 2.66 0.00 0.00 6.70 8.52 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 90 E 7.86 3.94 0.00 2.16 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 0.00 2.36 2.35 0.00 91 V 7.65 3.85 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 1.07 0.00 0.00 1.09 0.00 0.00 92 Y 8.59 4.18 0.00 3.24 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 93 S 8.81 4.32 0.00 4.12 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 94 R 7.96 4.04 0.00 2.02 1.82 0.00 3.20 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 95 Y 7.76 4.09 0.00 2.51 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 0.00 0.00 0.00 0.00 96 F 8.01 5.05 0.00 2.90 2.97 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 97 G 8.27 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 98 D 8.04 4.46 0.00 2.38 2.62 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 0.00 0.00 0.00 99 H 8.18 4.34 0.00 3.38 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.98 3.87 0.00 2.03 2.02 0.00 3.20 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 101 P 0.00 4.70 0.00 1.96 2.24 0.00 3.83 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 1.70 1.44 0.00 102 A 8.70 4.29 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 0.00 103 R 8.05 5.57 0.00 1.74 1.72 0.00 2.57 0.00 0.00 3.44 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 104 S 8.52 4.79 0.00 3.67 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 0.00 105 F 8.92 5.04 0.00 3.05 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 0.00 106 V 8.78 4.76 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 0.71 0.00 0.00 0.97 0.00 0.00 107 A 8.71 5.00 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 V 8.81 4.18 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 0.99 0.00 0.00 1.07 0.00 0.00 109 A 8.59 4.10 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 0.00 110 Q 7.49 4.58 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 111 L 8.02 4.80 0.00 1.89 1.48 1.03 1.01 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 0.00 112 P 0.00 4.30 0.00 2.13 1.93 0.00 3.76 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 2.02 2.02 0.00 113 R 9.14 3.62 0.00 1.95 2.00 0.00 3.53 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 114 N 7.88 4.19 0.00 2.84 2.89 0.00 0.00 6.90 8.80 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 0.00 115 V 7.54 3.98 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 0.70 0.00 0.00 1.02 0.00 0.00 116 E 8.46 4.72 0.00 1.79 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 2.46 2.17 0.00 117 I 7.51 5.07 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.86 0.00 0.00 118 E 9.30 5.02 0.00 2.07 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 2.34 2.50 0.00 119 I 8.83 4.97 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.99 0.00 0.00 120 E 8.70 5.11 0.00 2.30 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 2.43 2.27 0.00 121 A 8.11 4.93 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 0.00 122 I 8.79 4.75 1.76 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.42 0.00 0.00 123 A 8.72 5.23 1.20 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 0.00 124 V 9.02 5.12 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 0.89 0.00 0.00 0.88 0.00 0.00 125 K 8.33 4.59 0.00 1.63 1.66 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.44 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.96 1.09 7.81 126 E 8.72 3.74 0.00 2.11 2.04 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 2.10 2.18 0.00 127 G 8.32 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 * Residues marked with a * may have inaccurate shift predictions.