NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.5916 8.3229 120.5315 54.4939 42.5404 178.1143 12 I 3.6651 7.6790 119.4928 62.5841 35.1340 178.2476 13 R 4.1147 8.7063 116.7288 60.1814 29.5304 178.6901 14 K 4.3030 7.8677 119.0273 58.2469 31.4644 178.7515 15 D 4.0603 7.6905 119.0013 56.7331 41.0500 178.1106 16 A 3.8158 8.4123 121.9795 55.1050 17.9804 179.3721 17 E 3.8891 8.1048 118.9219 60.2341 29.6915 180.3090 18 V 3.6962 8.7323 120.2384 66.3420 31.4963 180.4857 19 R 4.1725 7.2639 117.2700 59.2012 30.3115 179.0257 20 M 4.1343 8.5454 118.8056 58.4221 31.8825 178.1604 21 D 4.3379 9.2775 118.8715 57.3676 41.4488 178.5706 22 K 4.0281 8.6832 118.9943 59.4506 32.1157 179.0602 23 A 4.0104 7.7793 122.2250 55.1552 18.2661 179.9943 24 V 3.6953 7.6858 110.5375 64.4134 31.6680 178.4987 25 E 3.9724 8.0167 118.2322 59.3820 28.9063 179.2292 26 A 3.6977 8.1000 120.5409 54.5502 18.2406 179.5439 27 F 4.1413 7.8142 118.5181 61.2630 39.5593 177.5304 28 K 3.7954 8.2739 118.0963 60.0195 31.9814 178.3609 29 N 4.0543 9.0135 119.5499 58.0192 38.7209 177.4334 30 K 3.9892 7.8469 124.1570 59.4506 31.7793 181.4740 31 L 3.9651 7.9633 119.3836 57.7430 40.9894 179.0333 32 D 4.2112 8.3046 121.6237 58.0838 40.9598 179.4294 33 K 3.8567 7.7671 123.7359 60.0032 31.5143 180.6295 34 F 4.3688 7.8423 121.1668 61.3267 39.0479 177.3808 35 K 2.8928 7.9836 118.2559 58.7665 31.4976 177.9942 36 A 4.3163 7.2228 116.7101 52.2673 20.1195 178.4778 37 A 4.0913 7.2953 121.4583 55.6339 18.7410 180.9018 38 V 3.2025 7.5991 118.1255 65.5398 31.2055 180.2089 39 R 4.2401 7.3702 119.7151 59.6446 29.8336 177.6385 40 K 4.4261 7.1609 117.2080 53.9210 31.8775 179.1576 41 V 4.5376 7.2393 118.4863 61.6166 34.3289 175.3987 42 F 4.2802 8.9030 125.7592 56.8028 39.4634 173.6233 43 P 4.6929 0.0000 0.0000 63.1637 32.1682 176.4399 44 T 4.6573 7.6835 115.8734 60.8173 73.7350 174.7628 45 E 3.8514 8.7691 123.7644 59.9970 29.6819 179.6644 46 E 3.8585 7.9699 118.3614 59.2198 29.6584 178.8699 47 R 3.4607 7.4444 117.7524 58.7169 29.9839 178.8442 48 I 3.5586 7.7388 119.8795 64.2435 37.1180 178.1626 49 K 3.8495 7.5114 119.3965 59.9324 31.8740 178.6500 50 D 4.4112 7.7463 118.0109 57.3526 40.6957 179.1848 51 W 4.7557 8.2038 119.3243 60.0973 29.0740 178.4696 52 L 4.1566 8.4602 119.0496 58.0360 41.0794 179.8961 53 K 4.0587 8.4518 118.3958 59.3431 31.9148 179.5599 54 I 3.7118 8.2284 120.4933 64.4386 37.0354 178.7148 55 V 3.4230 8.1226 119.3881 66.0004 31.2255 178.3059 56 R 4.1964 8.5757 118.4080 58.8358 29.7326 179.1532 57 G 3.6239 8.0263 104.9378 47.9064 0.0000 175.1706 58 E 4.1587 8.5063 121.2988 58.0354 29.5150 178.3414 59 A 3.8799 7.8640 121.0596 55.2973 18.5681 178.5852 60 E 4.0850 7.9806 114.9289 57.4336 29.6447 178.6527 61 Q 4.0046 7.6919 117.1442 59.4678 28.8105 178.0458 62 A 3.9323 8.1377 122.1900 55.2526 18.4126 179.9747 63 R 3.7411 7.7043 116.1300 59.2599 30.1152 179.3424 64 V 3.5453 7.6550 117.4889 65.7170 31.5305 177.8396 65 A 4.0137 8.3499 123.4627 55.8635 18.2241 180.7018 66 V 3.5607 8.5058 120.5934 66.8266 31.7160 180.8682 67 R 4.1276 7.8473 121.8474 62.0591 28.9177 179.6580 68 N 4.5562 8.3575 118.5065 57.0682 38.6071 177.8177 69 V 3.8881 8.6363 122.4577 64.5565 31.9325 179.9009 70 G 4.2553 7.8917 104.6082 46.9846 0.0000 173.9287 71 R 3.7876 7.7822 124.7137 56.0728 29.3648 176.0589 *74 N 4.5435 8.5063 125.2761 54.1018 40.7358 176.1394 75 D 4.7706 8.0347 121.4258 57.4201 40.3751 180.2731 76 K 4.4291 7.8689 120.4785 57.3636 32.2766 181.2860 77 A 4.4206 7.7070 120.9879 55.9155 19.3240 179.4187 78 A 3.9748 8.0226 118.4592 55.2773 18.4771 179.4289 79 A 3.9762 7.6158 118.9063 55.4789 18.5798 179.8680 80 L 4.2669 7.9407 117.0390 57.6679 41.4635 179.3271 81 G 4.0188 7.8812 105.6149 46.5476 0.0000 175.6281 82 K 4.3114 7.7368 124.2864 56.9847 32.2529 181.8883 83 D 5.0768 7.1542 119.2936 54.2332 42.6116 177.4379 84 K 4.2412 8.5271 123.6058 56.3111 31.8667 179.6729 85 E 4.0897 7.8995 115.9824 60.4498 30.1174 183.4653 86 I 4.0263 7.3444 118.1434 59.3456 36.6990 177.2203 87 N 4.8299 8.5709 121.1915 52.2492 39.6304 175.4947 88 W 4.2174 9.1742 135.0000 60.9008 30.3970 177.2744 89 F 4.1344 8.5827 114.9231 59.0483 38.8706 175.8539 90 D 4.7027 8.1514 118.2898 54.6948 41.0448 178.1322 91 I 3.8451 7.3189 121.7375 63.7999 36.8062 177.5925 92 S 3.9483 7.7442 113.6711 61.6567 61.8761 176.2019 93 Q 4.1170 8.0127 123.8325 59.7532 28.9241 178.3046 94 S 4.1712 7.5858 118.4116 63.7151 62.1754 178.2619 95 L 4.1460 7.7237 122.4188 57.2826 41.2701 179.5506 96 W 4.1465 7.8537 126.8431 60.2736 30.8007 178.0338 97 D 4.0986 8.7689 119.3657 57.2167 40.1429 178.8562 98 V 3.5239 7.9979 119.0217 66.0069 31.4959 177.8331 99 Q 3.8395 7.4133 118.6246 58.5758 28.9165 178.0462 100 K 3.7297 7.3615 119.7083 58.7150 31.8808 179.4030 101 L 3.8689 7.6998 119.5670 57.9433 41.6010 179.1899 102 T 3.7796 7.8752 115.8953 66.8612 68.5121 175.9153 103 D 4.2233 8.0299 119.2748 57.2293 41.2417 178.2237 104 A 3.8791 7.8506 120.7956 54.9653 18.4299 179.1485 105 A 3.8935 8.5100 119.7839 55.5697 18.3373 180.0373 106 I 3.5241 7.7497 117.8192 64.5865 37.2558 178.8199 107 K 3.6966 7.8670 119.0099 59.4164 31.8568 179.6107 108 K 3.9636 8.1108 118.7579 59.3450 32.0067 179.3430 109 I 3.5921 7.5644 119.9518 64.4221 36.9727 178.0129 110 E 3.8774 8.7773 119.6567 59.6641 29.3628 179.4862 111 A 4.0016 8.0090 120.1672 55.0375 18.4864 179.4789 112 A 3.9732 7.9003 119.0610 55.2524 18.5374 179.5554 113 L 4.0566 8.6769 118.9436 58.2586 42.2132 178.8580 114 A 4.0071 8.3933 121.0191 55.4694 18.3763 179.0480 115 D 4.4033 8.5318 117.6528 57.9667 40.8650 179.1109 116 M 4.1204 8.0421 118.1194 58.8330 32.0879 178.0439 117 E 4.0729 8.7195 117.5851 59.3085 29.8735 178.9773 118 A 4.1668 8.2549 120.7962 54.9288 18.3122 179.0713 119 W 4.2345 8.0974 125.4172 61.0461 30.8274 177.8150 120 L 4.1362 8.4159 117.4540 56.9420 41.0506 178.0442 121 T 4.6215 7.9374 110.0354 61.8825 69.2176 174.6420 122 Q 4.2417 8.0638 125.8082 55.9324 28.9573 178.1207 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 11 D 8.32 4.59 0.00 2.85 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 12 I 7.68 3.67 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 1.69 0.64 0.91 0.00 0.00 13 R 8.71 4.11 0.00 2.02 2.22 0.00 2.93 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 14 K 7.87 4.30 0.00 1.83 1.89 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.48 7.81 15 D 7.69 4.06 0.00 3.06 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 16 A 8.41 3.82 1.32 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 0.00 0.00 17 E 8.10 3.89 0.00 2.13 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 2.37 2.35 0.00 18 V 8.73 3.70 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 0.93 0.00 0.00 19 R 7.26 4.17 0.00 1.82 2.00 0.00 3.31 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 20 M 8.55 4.13 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 21 D 9.28 4.34 0.00 2.76 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 22 K 8.68 4.03 0.00 2.06 2.10 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.32 7.81 23 A 7.78 4.01 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 24 V 7.69 3.70 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 0.91 0.00 0.00 0.98 0.00 0.00 25 E 8.02 3.97 0.00 1.96 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 2.33 2.47 0.00 26 A 8.10 3.70 1.43 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 27 F 7.81 4.14 0.00 3.10 3.19 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 28 K 8.27 3.80 0.00 1.95 1.82 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.76 7.81 29 N 9.01 4.05 0.00 2.87 2.88 0.00 0.00 7.40 5.12 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 30 K 7.85 3.99 0.00 1.82 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 31 L 7.96 3.97 0.00 1.55 1.50 0.81 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.30 4.21 0.00 2.82 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 33 K 7.77 3.86 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.35 7.81 34 F 7.84 4.37 0.00 2.96 2.96 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 35 K 7.98 2.89 0.00 1.68 1.31 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.36 7.81 36 A 7.22 4.32 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 37 A 7.30 4.09 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 38 V 7.60 3.20 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 0.77 0.00 0.00 0.93 0.00 0.00 39 R 7.37 4.24 0.00 2.29 2.11 0.00 3.46 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 40 K 7.16 4.43 0.00 1.89 1.65 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 1.23 7.81 41 V 7.24 4.54 2.40 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 1.20 0.00 0.00 1.03 0.00 0.00 42 F 8.90 4.28 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.69 0.00 2.10 2.14 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 44 T 7.68 4.66 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 1.12 0.00 0.00 45 E 8.77 3.85 0.00 1.92 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 2.37 2.30 0.00 46 E 7.97 3.86 0.00 2.05 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 0.00 2.37 1.97 0.00 47 R 7.44 3.46 0.00 1.41 0.66 0.00 3.04 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 48 I 7.74 3.56 1.99 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 1.67 0.59 0.98 0.00 0.00 49 K 7.51 3.85 0.00 1.86 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.69 7.81 50 D 7.75 4.41 0.00 2.69 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 51 W 8.20 4.76 0.00 3.70 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 52 L 8.46 4.16 0.00 1.95 1.82 1.00 1.17 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 53 K 8.45 4.06 0.00 2.09 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 54 I 8.23 3.71 2.12 0.00 0.00 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 1.50 1.04 0.59 0.00 0.00 55 V 8.12 3.42 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 1.03 0.00 0.00 1.07 0.00 0.00 56 R 8.58 4.20 0.00 1.95 1.99 0.00 3.35 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 57 G 8.03 3.62 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 0.00 0.00 0.00 58 E 8.51 4.16 0.00 2.21 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 2.24 2.43 0.00 59 A 7.86 3.88 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 60 E 7.98 4.08 0.00 1.97 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 2.27 2.30 0.00 61 Q 7.69 4.00 0.00 2.44 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 62 A 8.14 3.93 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 63 R 7.70 3.74 0.00 1.78 1.91 0.00 3.06 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 64 V 7.65 3.55 2.11 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 1.07 0.00 0.00 1.01 0.00 0.00 65 A 8.35 4.01 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 66 V 8.51 3.56 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 0.76 0.00 0.00 0.93 0.00 0.00 67 R 7.85 4.13 0.00 1.83 1.99 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 68 N 8.36 4.56 0.00 2.94 2.82 0.00 0.00 6.98 8.24 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 69 V 8.64 3.89 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 0.76 0.00 0.00 0.93 0.00 0.00 70 G 7.89 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 0.00 0.00 0.00 0.00 71 R 7.78 3.79 0.00 2.03 2.42 0.00 2.79 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 *74 N 8.51 4.54 0.00 2.64 3.05 0.00 0.00 7.05 8.47 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 75 D 8.03 4.77 0.00 2.76 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 76 K 7.87 4.43 0.00 1.85 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.07 7.81 77 A 7.71 4.42 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 78 A 8.02 3.97 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 79 A 7.62 3.98 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 80 L 7.94 4.27 0.00 1.90 1.75 0.92 1.12 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 81 G 7.88 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 82 K 7.74 4.31 0.00 1.91 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.34 7.81 83 D 7.15 5.08 0.00 2.87 2.70 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 84 K 8.53 4.24 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.00 7.81 85 E 7.90 4.09 0.00 1.98 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 0.00 2.23 1.88 0.00 86 I 7.34 4.03 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 1.30 1.10 0.91 0.00 0.00 87 N 8.57 4.83 0.00 2.89 2.97 0.00 0.00 6.64 7.95 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 88 W 9.17 4.22 0.00 3.30 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 89 F 8.58 4.13 0.00 3.13 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 90 D 8.15 4.70 0.00 2.81 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 91 I 7.32 3.85 1.49 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 1.32 1.25 0.78 0.00 0.00 92 S 7.74 3.95 0.00 3.61 3.75 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 93 Q 8.01 4.12 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.61 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 94 S 7.59 4.17 0.00 3.83 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 95 L 7.72 4.15 0.00 1.88 1.78 0.88 1.26 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 96 W 7.85 4.15 0.00 3.42 3.35 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 97 D 8.77 4.10 0.00 2.80 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 98 V 8.00 3.52 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 1.02 0.00 0.00 0.93 0.00 0.00 99 Q 7.41 3.84 0.00 2.38 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 100 K 7.36 3.73 0.00 1.40 1.48 0.00 1.44 0.00 0.00 1.20 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.75 7.81 101 L 7.70 3.87 0.00 1.87 1.63 0.92 0.74 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 0.00 102 T 7.88 3.78 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 1.14 0.00 0.00 103 D 8.03 4.22 0.00 2.82 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 0.00 104 A 7.85 3.88 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 0.00 105 A 8.51 3.89 1.32 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 0.00 0.00 106 I 7.75 3.52 1.80 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 1.43 0.93 0.86 0.00 0.00 107 K 7.87 3.70 0.00 1.85 1.85 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.58 7.81 108 K 8.11 3.96 0.00 2.04 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.61 7.81 109 I 7.56 3.59 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.23 0.00 0.00 110 E 8.78 3.88 0.00 2.06 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 2.47 2.45 0.00 111 A 8.01 4.00 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 0.00 112 A 7.90 3.97 1.60 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 0.00 0.00 113 L 8.68 4.06 0.00 1.89 1.92 1.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.39 4.01 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 0.00 115 D 8.53 4.40 0.00 2.91 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 0.00 116 M 8.04 4.12 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.64 0.00 117 E 8.72 4.07 0.00 2.14 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 2.46 2.62 0.00 118 A 8.25 4.17 1.48 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 0.00 0.00 119 W 8.10 4.23 0.00 3.28 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 0.00 120 L 8.42 4.14 0.00 2.01 1.93 1.48 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.94 4.62 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 1.32 0.00 0.00 122 Q 8.06 4.24 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.