NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.8612 8.2233 120.2885 52.7326 41.0845 175.8764 2 L 4.0736 8.4936 118.8132 57.0459 41.2961 178.2985 3 W 4.3156 9.2185 129.3453 60.4824 31.1315 177.7114 4 Q 3.6647 8.5769 118.1591 58.5799 28.1594 178.0217 5 F 4.5863 8.6352 122.1105 61.4431 39.3179 177.1505 6 G 3.5691 8.4848 105.4977 48.2287 0.0000 175.6222 7 Q 3.7924 7.4936 120.7676 58.5159 28.5716 178.9315 8 M 4.0478 7.8420 119.8895 58.1990 31.8969 178.8073 9 I 3.5433 7.5232 119.9249 64.2159 37.3016 178.1030 10 L 4.6503 7.7615 122.4813 57.8038 41.6737 179.2881 11 K 4.0328 7.9204 116.9869 59.1603 31.9897 178.7519 12 E 4.2189 8.1562 118.3704 58.4083 29.8184 178.0717 13 T 4.3807 8.0752 107.5683 60.6443 69.8940 175.3515 14 G 3.7615 7.7578 109.4449 46.4115 0.0000 173.0849 *16 K 4.6148 7.4368 116.9185 55.7203 32.7356 175.4608 17 L 4.4555 8.0143 121.4832 53.9439 42.7459 176.2820 18 P 4.3819 0.0000 0.0000 65.4343 31.4896 176.1976 19 F 5.0113 8.4202 118.0674 55.6519 40.6979 173.2700 20 P 3.8021 0.0000 0.0000 62.6135 31.8400 177.1355 21 Y 3.9257 7.1165 114.0388 60.7351 38.2163 176.6593 22 Y 4.2904 8.5134 117.2173 59.9926 38.9130 178.2037 23 T 4.0938 8.1538 109.6679 64.1835 68.9720 175.1314 24 T 4.5698 7.5723 109.1405 61.1264 69.5694 173.0944 25 Y 4.4315 8.2853 125.7147 58.4945 39.7727 174.8818 26 G 3.5148 8.7034 117.0843 46.7599 0.0000 173.3579 27 C 4.9762 9.0318 116.0655 56.9939 36.6426 174.0248 28 Y 4.3268 8.4570 118.7012 59.4405 40.3331 177.9495 29 C 4.5229 9.1172 115.8674 60.0694 40.2911 175.3152 30 G 4.4676 8.0277 104.1693 45.5350 0.0000 173.5584 31 W 4.9844 7.7919 129.5831 56.8475 31.3592 175.8609 32 G 3.8542 9.3998 101.9731 45.8967 0.0000 175.0859 33 G 2.6765 7.6590 105.7081 44.6777 0.0000 174.8877 34 Q 3.8751 7.0614 117.9448 55.7974 29.1847 175.7345 35 G 4.7013 7.6100 104.0542 43.7991 0.0000 173.1147 36 Q 4.1892 9.0624 123.4272 55.4217 29.4817 174.4806 37 P 4.4480 0.0000 0.0000 63.5594 31.2807 176.2418 38 K 4.0075 9.3789 125.1994 57.8762 32.9317 175.3648 39 D 4.5740 7.3433 115.6743 51.6681 41.8029 175.1180 40 A 3.9915 8.9310 119.7357 56.1277 18.2573 179.6766 41 T 4.0980 8.0847 112.5137 67.2180 68.3926 175.3987 42 D 4.8472 9.2185 122.3052 58.2868 41.2244 179.1843 43 R 4.0237 8.3420 120.9932 61.4414 29.3247 179.8012 44 C 4.3473 8.3712 115.8019 60.6869 40.9693 175.6447 45 C 4.3551 8.2138 117.4657 59.8340 39.3554 175.8785 46 F 3.3534 7.8159 122.0064 60.8888 38.8601 177.2972 47 V 3.0884 8.0030 118.3779 65.8977 31.3101 177.5295 48 H 3.8605 8.1252 118.0737 59.1513 29.6028 177.0408 49 D 4.1851 8.0413 120.8378 57.3724 40.4538 177.9238 50 C 4.0328 7.9387 117.3210 60.1926 39.9581 175.4750 51 C 4.1507 8.0173 118.7927 59.8717 41.2640 174.7298 52 Y 4.3245 8.0621 118.4864 61.2031 37.2222 179.0406 53 G 3.7733 8.1919 107.8681 48.0156 0.0000 175.8755 54 K 4.2440 7.6456 123.9332 57.5375 33.2415 181.8771 55 L 4.7239 7.2231 119.9262 54.1076 40.2815 176.4708 56 T 3.8092 7.5513 112.1861 64.5277 69.7036 176.5549 *59 N 4.8443 7.9282 116.5405 52.6443 39.1388 174.1060 *61 C 5.2054 7.5674 115.3953 57.4607 42.6242 173.0456 *67 K 4.6836 7.8522 118.4826 56.4532 31.5939 174.9619 68 P 4.0471 0.0000 0.0000 64.8927 31.9997 178.8195 69 K 4.3419 7.9242 119.7487 56.3467 31.9799 183.1671 70 T 4.6293 7.6370 104.1508 61.4397 70.4465 173.5852 71 D 4.4484 8.1755 122.8599 53.6660 41.8080 175.0128 72 R 4.4237 8.5058 126.7896 54.8700 31.1340 175.0643 73 Y 4.8427 7.4974 124.2387 55.6212 40.7726 174.1222 74 S 5.1753 8.7673 114.8738 57.2708 65.6592 173.2333 75 Y 5.3656 8.7687 121.3539 55.5698 41.4733 174.0524 76 S 4.5774 9.2836 114.8812 56.2102 65.8255 174.0798 77 R 5.1530 8.1768 125.7885 55.5162 31.1726 177.1770 78 E 4.0490 7.8344 112.9844 58.5700 29.4651 182.3140 79 N 4.9230 8.1424 114.6804 52.7796 39.1131 176.4079 80 G 3.9908 8.0977 108.0586 44.9547 0.0000 174.3371 81 V 4.4692 7.4047 121.9231 61.3113 34.6752 175.1002 82 I 4.3338 8.5444 127.7099 60.7696 36.1824 172.8537 83 I 4.4722 9.1962 129.5459 58.5918 39.4264 174.5462 84 C 4.6971 8.9810 125.7071 57.0218 40.6943 173.9942 85 G 4.1862 9.0059 115.9756 45.9319 0.0000 173.8798 86 E 4.4204 8.9491 117.0291 54.8474 30.7643 173.1803 87 G 4.0186 7.9123 105.3719 46.2089 0.0000 172.1679 88 T 4.0386 8.2388 110.3708 61.0774 69.7509 173.4325 *90 P 4.3780 0.0000 0.0000 62.9212 33.6380 179.9862 91 C 4.2252 8.2018 115.1566 60.1176 41.2584 175.7575 92 E 4.0309 8.2110 120.0049 59.4335 29.0554 179.5849 93 K 3.8955 8.1370 118.3742 59.7054 32.1550 179.4755 94 Q 3.9763 7.9472 118.1795 58.6216 28.5191 178.7044 95 I 3.5534 8.1262 121.3368 64.5212 37.1898 177.2520 96 C 2.7661 7.6251 119.1705 59.7413 43.9392 175.7728 97 E 3.8153 7.9690 119.7018 59.2529 29.0999 178.6580 98 C 4.2034 8.1319 116.6299 60.2167 40.6911 175.9432 99 D 3.9697 8.2586 120.6856 57.0110 40.2929 178.7073 100 K 3.8315 8.3347 120.3680 59.5923 32.2114 178.7868 101 A 3.8870 8.0484 120.6262 54.6783 18.1402 179.6193 102 A 3.5600 7.7888 118.9317 55.1439 18.5519 179.5934 103 A 3.8433 8.0207 119.3278 55.3121 18.4093 179.9830 104 V 3.4964 8.0044 116.9743 66.1763 31.3422 177.4141 105 C 4.1924 7.7678 117.1456 59.6052 37.9090 175.1965 106 F 4.6190 7.8327 119.3652 60.6747 38.5163 177.4271 107 R 3.9088 7.9887 118.0808 59.8061 29.7047 178.3933 108 E 4.1119 8.5256 116.8155 58.5946 29.1847 178.1723 109 N 4.9758 7.7249 114.4552 52.9746 39.0543 176.2461 110 L 4.0855 7.9677 124.0572 58.1842 41.4611 179.4752 111 R 3.9339 8.1489 116.4377 59.3311 30.0625 177.3460 112 T 4.4020 7.5099 104.0830 61.2360 69.2751 174.1368 113 Y 4.0438 8.3058 127.8378 58.7095 39.2065 175.4919 114 K 4.5221 8.5611 131.1844 52.9121 34.3410 174.8929 115 K 4.3403 8.6404 125.6768 56.5148 32.0081 176.2086 116 R 4.0151 7.6627 115.7104 59.4309 30.2412 177.2070 117 Y 4.4713 7.1797 114.4385 59.2006 36.8396 175.3436 118 M 4.2864 7.7589 121.1799 56.2436 32.2728 176.3496 119 A 3.9145 8.7545 126.8522 52.8599 16.8718 176.8015 120 Y 4.0038 7.2673 119.8597 58.6222 39.5614 174.2799 121 P 4.0565 0.0000 0.0000 62.9596 31.8932 177.7468 122 D 3.6024 8.3908 123.0527 55.5639 39.8530 175.1281 *124 V 3.9421 7.6769 115.5077 61.7534 32.9976 176.3767 125 L 4.2303 7.2829 117.5202 55.3448 41.9800 176.1710 126 C 4.6397 7.5707 118.0271 56.6163 37.9551 173.7887 127 K 4.5873 8.7988 125.1954 56.3630 34.3321 177.0892 128 K 4.5261 8.6543 124.7605 54.6804 32.4369 176.0327 129 P 4.3740 0.0000 0.0000 63.1994 32.0602 175.7594 130 A 4.4702 8.7627 122.7327 53.8261 20.9772 177.1338 131 E 4.1340 8.1817 115.3830 56.9366 30.1368 177.1212 132 K 4.9405 8.1587 121.0534 52.5801 35.8155 178.2084 133 C 4.3602 9.1142 117.2001 57.4923 41.0859 174.0265 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 D 8.22 4.86 0.00 3.19 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 2 L 8.49 4.07 0.00 1.89 1.98 1.07 0.99 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 3 W 9.22 4.32 0.00 3.45 3.41 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 4 Q 8.58 3.66 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.53 0.00 0.00 0.00 0.00 0.00 2.56 2.76 0.00 5 F 8.64 4.59 0.00 3.31 3.36 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 6 G 8.48 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.49 3.79 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 8 M 7.84 4.05 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.18 0.00 9 I 7.52 3.54 1.72 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.30 0.63 0.00 0.00 10 L 7.76 4.65 0.00 1.69 1.75 0.92 0.32 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 11 K 7.92 4.03 0.00 1.98 1.88 0.00 1.98 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.54 7.81 12 E 8.16 4.22 0.00 1.99 1.98 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 2.43 2.42 0.00 13 T 8.08 4.38 4.26 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 0.00 0.00 0.00 1.14 0.00 0.00 14 G 7.76 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 0.00 0.00 0.00 *16 K 7.44 4.61 0.00 1.77 1.32 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.44 1.02 7.81 17 L 8.01 4.46 0.00 1.96 1.71 1.01 1.09 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 18 P 0.00 4.38 0.00 2.26 2.15 0.00 3.61 0.00 0.00 3.67 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 19 F 8.42 5.01 0.00 3.04 3.03 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 20 P 0.00 3.80 0.00 1.58 0.82 0.00 3.40 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.34 0.00 21 Y 7.12 3.93 0.00 2.97 2.46 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 22 Y 8.51 4.29 0.00 2.80 2.63 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 23 T 8.15 4.09 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 24 T 7.57 4.57 4.26 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 0.00 0.00 0.00 1.21 0.00 0.00 25 Y 8.29 4.43 0.00 3.12 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 26 G 8.70 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.03 4.98 0.00 3.08 3.27 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 28 Y 8.46 4.33 0.00 3.26 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 29 C 9.12 4.52 0.00 3.59 3.57 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 0.00 0.00 0.00 0.00 30 G 8.03 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.79 4.98 0.00 3.27 3.29 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 32 G 9.40 3.85 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 0.00 0.00 0.00 33 G 7.66 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 0.00 0.00 0.00 34 Q 7.06 3.88 0.00 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 35 G 7.61 4.70 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 36 Q 9.06 4.19 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 37 P 0.00 4.45 0.00 1.85 1.97 0.00 3.48 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 38 K 9.38 4.01 0.00 1.19 1.06 0.00 1.45 0.00 0.00 1.21 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.96 7.81 39 D 7.34 4.57 0.00 2.97 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 40 A 8.93 3.99 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.08 4.10 4.35 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 0.80 0.00 0.00 42 D 9.22 4.85 0.00 3.17 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 43 R 8.34 4.02 0.00 1.87 1.93 0.00 3.34 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 44 C 8.37 4.35 0.00 2.99 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 45 C 8.21 4.36 0.00 3.50 3.53 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 46 F 7.82 3.35 0.00 1.72 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 47 V 8.00 3.09 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 0.87 0.00 0.00 0.93 0.00 0.00 48 H 8.13 3.86 0.00 3.10 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.04 4.19 0.00 3.10 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 50 C 7.94 4.03 0.00 2.73 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 51 C 8.02 4.15 0.00 2.94 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 52 Y 8.06 4.32 0.00 3.04 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 53 G 8.19 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 54 K 7.65 4.24 0.00 1.85 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.35 7.81 55 L 7.22 4.72 0.00 1.65 1.57 0.81 0.88 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 56 T 7.55 3.81 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 *59 N 7.93 4.84 0.00 2.90 3.11 0.00 0.00 6.71 7.68 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 *61 C 7.57 5.21 0.00 2.93 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 *67 K 7.85 4.68 0.00 1.81 1.78 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.41 7.81 68 P 0.00 4.05 0.00 0.49 1.20 0.00 3.48 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 1.54 1.73 0.00 69 K 7.92 4.34 0.00 1.68 1.81 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 0.99 7.81 70 T 7.64 4.63 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 71 D 8.18 4.45 0.00 2.82 2.63 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 72 R 8.51 4.42 0.00 1.79 1.81 0.00 3.25 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 73 Y 7.50 4.84 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 74 S 8.77 5.18 0.00 4.05 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 75 Y 8.77 5.37 0.00 3.10 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 76 S 9.28 4.58 0.00 3.84 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 77 R 8.18 5.15 0.00 1.95 1.79 0.00 3.50 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 78 E 7.83 4.05 0.00 2.06 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 2.27 2.19 0.00 79 N 8.14 4.92 0.00 2.69 2.84 0.00 0.00 7.03 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 80 G 8.10 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 81 V 7.40 4.47 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 0.98 0.00 0.00 0.94 0.00 0.00 82 I 8.54 4.33 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 1.34 0.80 0.91 0.00 0.00 83 I 9.20 4.47 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 1.25 0.85 0.94 0.00 0.00 84 C 8.98 4.70 0.00 2.83 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 G 9.01 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 0.00 0.00 0.00 0.00 86 E 8.95 4.42 0.00 2.00 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 1.87 0.00 87 G 7.91 4.02 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 0.00 0.00 0.00 88 T 8.24 4.04 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 1.27 0.00 0.00 *90 P 0.00 4.38 0.00 2.21 2.16 0.00 3.65 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 2.00 2.11 0.00 91 C 8.20 4.23 0.00 2.95 3.11 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 92 E 8.21 4.03 0.00 2.32 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 2.57 2.56 0.00 93 K 8.14 3.90 0.00 2.09 1.82 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.51 7.81 94 Q 7.95 3.98 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 95 I 8.13 3.55 2.07 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 1.03 0.00 0.00 96 C 7.63 2.77 0.00 2.15 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 97 E 7.97 3.82 0.00 2.09 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 2.38 2.42 0.00 98 C 8.13 4.20 0.00 3.25 3.10 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 99 D 8.26 3.97 0.00 2.73 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 0.00 100 K 8.33 3.83 0.00 1.73 1.84 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.42 7.81 101 A 8.05 3.89 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.79 3.56 1.18 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 0.00 0.00 0.00 103 A 8.02 3.84 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 0.00 104 V 8.00 3.50 2.02 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 0.91 0.00 0.00 0.93 0.00 0.00 105 C 7.77 4.19 0.00 3.04 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 0.00 106 F 7.83 4.62 0.00 2.99 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.91 0.00 2.01 2.10 0.00 3.10 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 108 E 8.53 4.11 0.00 1.94 2.02 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 2.30 2.61 0.00 109 N 7.72 4.98 0.00 2.97 2.91 0.00 0.00 6.83 6.56 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 0.00 110 L 7.97 4.09 0.00 1.73 1.74 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.15 3.93 0.00 1.84 2.05 0.00 3.21 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 112 T 7.51 4.40 4.32 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 1.26 0.00 0.00 113 Y 8.31 4.04 0.00 3.12 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 0.00 114 K 8.56 4.52 0.00 1.69 1.64 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.21 7.81 115 K 8.64 4.34 0.00 1.67 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.03 7.81 116 R 7.66 4.02 0.00 1.52 1.89 0.00 3.16 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 117 Y 7.18 4.47 0.00 1.55 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 0.00 0.00 0.00 118 M 7.76 4.29 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 119 A 8.75 3.91 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 0.00 120 Y 7.27 4.00 0.00 3.02 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 0.00 121 P 0.00 4.06 0.00 1.78 1.71 0.00 2.46 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 1.74 1.82 0.00 122 D 8.39 3.60 0.00 2.60 2.69 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 *124 V 7.68 3.94 1.93 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 0.73 0.00 0.00 0.83 0.00 0.00 125 L 7.28 4.23 0.00 1.61 1.76 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.57 4.64 0.00 2.39 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 0.00 127 K 8.80 4.59 0.00 1.86 1.95 0.00 1.48 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.45 7.81 128 K 8.65 4.53 0.00 1.56 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.05 7.81 129 P 0.00 4.37 0.00 2.07 2.10 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 130 A 8.76 4.47 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 0.00 131 E 8.18 4.13 0.00 1.30 1.72 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 2.20 2.13 0.00 132 K 8.16 4.94 0.00 1.71 1.51 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.99 7.81 133 C 9.11 4.36 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.