NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4011 8.1727 120.0927 56.3141 34.0955 173.7463 3 R 4.6998 8.4295 123.0898 54.2268 32.7497 172.7194 4 I 4.8541 8.6471 126.7405 59.4288 41.4567 173.8880 5 L 4.9088 8.2596 126.4962 52.9044 43.6472 175.0218 6 V 4.5667 8.2603 126.8420 61.0451 32.7715 174.2243 7 V 4.8967 8.3518 127.3411 60.2518 34.1859 173.7456 8 D 4.6922 8.3626 125.6907 53.5556 43.9935 174.7769 9 D 4.4431 9.1668 121.7922 56.1651 39.5857 176.8183 10 E 4.1668 8.7245 121.8562 54.3960 30.4801 176.6916 11 P 4.3268 0.0000 0.0000 66.0818 31.1525 178.6012 12 N 4.4884 8.0731 114.8831 55.5962 38.9702 176.4281 13 I 4.0376 7.4684 119.0469 63.3177 38.2315 178.0425 14 R 3.9934 7.8433 118.8221 59.1200 29.4860 178.3318 15 E 4.0087 7.8332 117.8006 58.6194 29.2957 178.6873 16 L 4.0869 7.2520 119.1383 58.0835 42.4878 178.4594 17 L 3.8692 7.7213 118.4643 57.1921 41.6018 178.7176 18 K 3.7234 7.7730 120.0329 59.6398 32.0473 177.4890 19 E 4.5402 7.4538 114.9029 56.6065 29.1784 177.1525 20 E 4.2775 8.3472 120.9509 57.4430 30.3488 177.6779 21 L 4.4419 7.6118 117.6293 56.2801 42.0452 178.1599 22 Q 4.6768 7.6418 117.7808 56.7491 28.7807 177.3611 23 E 4.1170 7.9510 120.2545 58.9888 30.0049 177.7493 24 E 4.1837 7.5671 117.9780 58.9859 30.4185 176.9994 25 G 3.2282 6.1591 111.3769 45.5583 0.0000 170.8596 26 Y 4.9514 7.2954 116.6082 56.1011 43.8036 174.9541 27 E 4.7613 8.8260 120.7311 54.6594 32.5257 174.3050 28 I 4.8115 8.5294 127.5665 59.8783 38.9469 174.5837 29 D 5.0003 8.7025 127.6570 52.8032 42.6664 175.6255 30 T 4.6539 8.5516 114.4284 60.7073 70.1985 174.0291 31 A 4.7046 8.4964 126.1258 50.4196 22.2242 175.3227 32 E 4.2188 8.9858 115.3926 56.8148 31.6169 176.0849 33 N 4.9203 7.5103 116.6438 49.5771 39.8400 176.0419 34 G 3.5165 8.3859 107.5124 48.2239 0.0000 175.2964 35 E 4.1230 8.2048 119.3588 57.7600 29.8755 176.9172 36 E 4.4006 8.2491 117.6358 56.8352 30.0248 177.3520 37 A 3.9323 7.9892 120.3052 55.0093 18.6497 179.2940 38 L 3.6353 7.4280 116.4289 57.8629 41.5049 179.8829 39 K 4.2527 7.8888 116.4944 58.8825 32.0928 178.4229 40 K 4.3405 7.3447 116.3292 56.5296 32.0573 176.9782 41 F 4.4666 7.5597 121.0799 58.7592 41.4293 176.4911 42 F 4.7252 8.1746 118.6643 60.3038 39.3201 176.9228 43 S 4.7905 7.9161 114.7118 56.7943 63.0068 172.7111 44 G 3.9697 7.2314 108.3355 46.1373 0.0000 172.0575 45 N 4.6311 8.3167 118.3006 51.6595 40.4827 173.0322 46 Y 4.5239 7.9609 120.1005 56.3441 40.7862 175.5104 47 D 4.7768 8.1529 123.7962 53.7959 41.2653 175.6562 48 L 4.7789 7.5427 119.8810 54.8565 45.7474 173.2097 49 V 4.8087 7.9456 121.3426 60.4775 35.3235 173.0844 50 I 5.2788 8.2451 123.7321 58.7415 39.9319 174.6099 51 L 4.9477 8.2187 125.4830 53.1037 46.0615 176.0110 52 D 4.4738 7.8183 123.5037 54.4633 43.8801 174.5340 53 I 4.4784 9.8052 113.1120 62.8975 40.3574 175.0702 54 E 4.1556 7.8471 124.3357 55.4429 29.8782 174.5949 *56 P 4.0806 0.0000 0.0000 63.3849 32.2388 174.8543 57 G 4.1087 9.7307 115.1071 44.2839 0.0000 174.1191 58 I 4.6114 7.1082 111.9774 57.4681 41.5906 175.4413 59 S 4.6827 8.5015 116.1783 57.7788 64.6823 175.1810 60 G 4.3756 8.7253 114.4969 47.6269 0.0000 174.8929 61 L 3.9497 8.1071 120.1701 58.4813 41.3622 178.9370 62 E 3.9286 8.0486 119.8423 59.1141 30.0302 179.2058 63 V 3.6558 8.0824 118.7145 66.0378 31.7439 177.8604 64 A 4.0090 8.1825 120.5990 55.1179 17.6491 179.8120 65 G 3.6298 7.8771 103.7592 47.5771 0.0000 175.6335 66 E 4.1633 8.0368 120.6728 58.9237 29.3222 178.8814 67 I 3.6165 7.4284 119.3357 63.3837 36.9502 178.2645 68 R 4.0119 7.7484 118.7801 59.1869 30.1962 178.1026 69 K 4.1853 7.5307 116.2609 60.1123 32.1413 178.2278 70 K 3.9659 7.6923 118.1310 57.8886 32.5082 176.8997 71 K 4.3392 7.9905 129.6863 55.0689 32.0795 176.8943 72 K 4.0383 8.8678 128.5778 59.2879 32.7371 177.6115 73 D 4.7748 7.8541 117.6161 53.1706 40.2068 175.7777 74 A 4.5712 7.5258 121.3117 51.1401 20.7272 177.6445 75 K 4.4117 8.4749 119.5103 55.0565 34.0292 175.5950 76 I 4.4286 8.1628 127.1281 59.6189 39.4132 174.7259 77 I 4.7466 8.1720 128.9435 59.7785 38.8411 175.2091 78 L 4.5666 8.5239 127.5381 53.6955 43.4622 176.5037 79 L 4.4921 8.4525 124.2274 54.6896 42.0475 174.6280 80 T 4.0498 7.7581 118.0285 60.5279 68.6566 175.0881 81 A 4.0403 8.0478 126.9651 54.2294 18.4749 177.8858 82 Y 4.8605 6.6811 114.3391 55.5587 37.7705 173.8189 83 S 5.6911 7.9240 115.4175 55.8340 67.1999 171.6699 84 H 4.8901 9.4691 117.5857 56.4913 29.5423 175.2880 85 Y 4.3425 8.7544 124.9647 57.1574 38.9354 175.7055 86 R 2.8230 6.3189 118.8946 56.8267 27.2193 175.1478 87 S 4.7164 7.9237 113.6640 57.1980 64.9905 174.9482 88 D 4.7668 7.4994 121.9419 54.5835 40.2083 178.6914 *90 S 4.5153 8.5769 109.6508 58.2615 64.8886 175.7413 91 S 4.3111 7.7661 113.6577 60.1523 62.9928 176.1167 92 W 4.2571 8.2556 130.1589 59.8808 30.8699 176.8847 93 A 4.0450 7.9383 120.9917 54.8219 17.9698 178.0235 94 A 4.1514 7.1892 115.7632 51.9969 18.7248 175.6114 95 D 4.3094 8.0464 119.9332 54.4314 40.6073 175.8643 96 E 4.8117 8.2952 115.3689 54.6718 33.8635 174.2169 97 Y 5.0325 8.5052 123.5704 55.9274 41.1043 174.2058 98 V 4.4390 7.6906 126.8517 60.9209 33.9395 174.9195 99 V 3.8139 8.1474 127.4452 60.9599 32.0192 175.6513 100 K 3.9894 9.9471 129.5771 56.0784 31.1391 175.4432 101 S 4.7907 7.8692 120.0874 55.4502 65.7004 174.5558 102 F 3.6681 8.9505 117.6903 59.0001 37.4199 175.0130 103 N 3.5220 6.5246 119.7043 53.6823 38.7050 174.2073 104 F 4.7247 8.3434 123.4300 57.7198 39.6934 176.3492 105 D 4.8162 8.3177 120.4417 54.5175 40.6364 177.0238 106 E 4.4878 7.9514 121.3273 58.1506 30.4242 177.5338 107 L 3.9167 7.7195 119.7973 58.0881 42.2497 178.6798 108 K 3.8271 7.6877 117.0455 59.8241 31.7830 179.1381 109 E 4.0547 8.2085 118.0465 58.6404 29.2317 178.6389 110 K 4.2407 7.6096 117.2286 57.5080 32.5974 179.0719 111 V 3.5500 8.3529 119.1280 65.6472 31.4910 177.5905 112 K 4.1781 7.7410 118.1629 59.1745 32.2292 178.5208 113 K 4.1271 7.7874 119.7769 59.3322 32.1667 179.2205 114 L 4.6639 7.3944 117.3943 54.8911 42.6500 176.9089 115 L 4.9579 8.1124 116.2333 54.1862 43.2846 177.2341 116 S 4.1836 8.0970 119.9081 59.0548 63.8813 174.2400 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 2 K 8.17 4.40 0.00 2.09 1.96 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.56 7.81 3 R 8.43 4.70 0.00 1.80 1.47 0.00 2.88 0.00 0.00 3.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 4 I 8.65 4.85 1.82 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 1.03 1.16 0.86 0.00 0.00 5 L 8.26 4.91 0.00 1.47 1.43 0.44 0.55 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 V 8.26 4.57 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 0.87 0.00 0.00 0.88 0.00 0.00 7 V 8.35 4.90 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 1.21 0.00 0.00 0.83 0.00 0.00 8 D 8.36 4.69 0.00 2.64 2.45 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 0.00 0.00 0.00 0.00 9 D 9.17 4.44 0.00 2.78 2.74 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 10 E 8.72 4.17 0.00 2.01 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 0.00 2.34 2.26 0.00 11 P 0.00 4.33 0.00 2.26 2.31 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 2.07 2.06 0.00 12 N 8.07 4.49 0.00 2.73 2.94 0.00 0.00 6.83 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 13 I 7.47 4.04 1.89 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 1.56 1.43 1.04 0.00 0.00 14 R 7.84 3.99 0.00 1.88 1.94 0.00 3.15 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 15 E 7.83 4.01 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 2.40 2.31 0.00 16 L 7.25 4.09 0.00 1.79 1.87 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.72 3.87 0.00 1.68 1.61 0.94 0.73 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 18 K 7.77 3.72 0.00 1.79 1.81 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.45 7.81 19 E 7.45 4.54 0.00 2.12 1.91 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 2.28 2.25 0.00 20 E 8.35 4.28 0.00 1.68 1.63 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 1.92 1.52 0.00 21 L 7.61 4.44 0.00 1.65 1.73 0.78 0.71 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 22 Q 7.64 4.68 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.97 0.00 0.00 0.00 0.00 0.00 2.61 2.33 0.00 23 E 7.95 4.12 0.00 1.94 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 2.27 2.38 0.00 24 E 7.57 4.18 0.00 2.31 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 0.00 2.39 2.57 0.00 25 G 6.16 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 0.00 0.00 0.00 26 Y 7.30 4.95 0.00 2.96 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 27 E 8.83 4.76 0.00 1.99 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 2.21 2.26 0.00 28 I 8.53 4.81 1.88 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 1.37 1.11 0.91 0.00 0.00 29 D 8.70 5.00 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 30 T 8.55 4.65 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 1.20 0.00 0.00 31 A 8.50 4.70 1.14 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 0.00 0.00 0.00 0.00 0.00 32 E 8.99 4.22 0.00 2.05 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 2.26 2.25 0.00 33 N 7.51 4.92 0.00 2.93 2.95 0.00 0.00 5.93 6.92 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 34 G 8.39 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 0.00 0.00 0.00 35 E 8.20 4.12 0.00 1.94 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 0.00 2.30 2.31 0.00 36 E 8.25 4.40 0.00 2.20 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 2.29 0.00 37 A 7.99 3.93 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 38 L 7.43 3.64 0.00 1.70 1.59 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.89 4.25 0.00 1.74 1.92 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.61 7.81 40 K 7.34 4.34 0.00 1.74 1.61 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.39 7.81 41 F 7.56 4.47 0.00 2.74 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 42 F 8.17 4.73 0.00 3.15 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 43 S 7.92 4.79 0.00 4.01 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 44 G 7.23 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 0.00 0.00 0.00 45 N 8.32 4.63 0.00 2.46 2.58 0.00 0.00 6.53 7.46 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 46 Y 7.96 4.52 0.00 2.47 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 47 D 8.15 4.78 0.00 2.53 2.72 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 0.00 0.00 0.00 0.00 48 L 7.54 4.78 0.00 1.72 1.43 0.91 0.72 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 49 V 7.95 4.81 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 0.43 0.00 0.00 0.84 0.00 0.00 50 I 8.25 5.28 1.80 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 1.16 1.94 0.83 0.00 0.00 51 L 8.22 4.95 0.00 1.46 1.42 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.82 4.47 0.00 2.91 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 0.00 0.00 0.00 0.00 53 I 9.81 4.48 1.78 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 1.20 0.67 0.93 0.00 0.00 54 E 7.85 4.16 0.00 2.06 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 2.54 2.50 0.00 *56 P 0.00 4.08 0.00 2.10 2.01 0.00 3.70 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 1.92 2.09 0.00 57 G 9.73 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 58 I 7.11 4.61 1.87 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 1.46 0.58 0.91 0.00 0.00 59 S 8.50 4.68 0.00 4.08 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 60 G 8.73 4.38 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 0.00 61 L 8.11 3.95 0.00 1.71 1.70 0.95 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 62 E 8.05 3.93 0.00 1.96 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 0.00 2.33 2.32 0.00 63 V 8.08 3.66 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 0.84 0.00 0.00 0.91 0.00 0.00 64 A 8.18 4.01 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 65 G 7.88 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 66 E 8.04 4.16 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 2.60 2.49 0.00 67 I 7.43 3.62 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.10 0.25 0.00 0.00 68 R 7.75 4.01 0.00 1.76 1.94 0.00 3.27 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 1.60 1.78 0.00 69 K 7.53 4.19 0.00 1.83 1.89 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.50 7.81 70 K 7.69 3.97 0.00 1.94 1.98 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.56 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.73 1.50 7.81 71 K 7.99 4.34 0.00 1.99 1.92 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.51 7.81 72 K 8.87 4.04 0.00 1.78 1.85 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.49 7.81 73 D 7.85 4.77 0.00 2.72 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 74 A 7.53 4.57 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.47 4.41 0.00 1.75 1.77 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 76 I 8.16 4.43 1.81 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 1.19 0.75 0.84 0.00 0.00 77 I 8.17 4.75 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.94 0.81 0.00 0.00 78 L 8.52 4.57 0.00 1.73 1.67 1.00 0.13 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 79 L 8.45 4.49 0.00 1.34 1.38 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.76 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 1.30 0.00 0.00 81 A 8.05 4.04 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 82 Y 6.68 4.86 0.00 3.16 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 83 S 7.92 5.69 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 84 H 9.47 4.89 0.00 3.20 3.04 0.00 5.64 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.75 4.34 0.00 2.87 2.86 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 86 R 6.32 2.82 0.00 1.55 2.06 0.00 3.33 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 87 S 7.92 4.72 0.00 3.95 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 88 D 7.50 4.77 0.00 2.76 2.31 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 *90 S 8.58 4.52 0.00 3.98 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 91 S 7.77 4.31 0.00 4.09 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 92 W 8.26 4.26 0.00 3.35 3.16 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 93 A 7.94 4.04 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.19 4.15 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 95 D 8.05 4.31 0.00 2.65 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 96 E 8.30 4.81 0.00 1.88 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 0.00 2.26 2.19 0.00 97 Y 8.51 5.03 0.00 3.09 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 98 V 7.69 4.44 1.83 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 0.71 0.00 0.00 0.80 0.00 0.00 99 V 8.15 3.81 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 0.75 0.00 0.00 0.90 0.00 0.00 100 K 9.95 3.99 0.00 1.66 1.69 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 101 S 7.87 4.79 0.00 3.78 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.95 3.67 0.00 3.11 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 0.00 103 N 6.52 3.52 0.00 2.19 2.42 0.00 0.00 7.09 6.90 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 0.00 104 F 8.34 4.72 0.00 3.08 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 0.00 105 D 8.32 4.82 0.00 2.75 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 0.00 106 E 7.95 4.49 0.00 1.95 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 2.25 2.30 0.00 107 L 7.72 3.92 0.00 1.77 1.67 0.85 0.66 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 0.00 108 K 7.69 3.83 0.00 1.92 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.66 7.81 109 E 8.21 4.05 0.00 2.17 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 2.40 2.46 0.00 110 K 7.61 4.24 0.00 1.72 1.81 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.55 7.81 111 V 8.35 3.55 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 0.43 0.00 0.00 0.86 0.00 0.00 112 K 7.74 4.18 0.00 2.12 1.86 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.22 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.55 7.81 113 K 7.79 4.13 0.00 1.99 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.48 7.81 114 L 7.39 4.66 0.00 1.63 1.66 0.94 0.93 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 0.00 115 L 8.11 4.96 0.00 1.62 1.65 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.10 4.18 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.