NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4205 8.3001 118.7932 54.5550 33.0117 174.7068 2 A 4.2575 8.2886 117.7130 53.8227 19.3979 174.6847 3 E 4.0631 8.7719 116.3690 56.0363 31.0024 175.3730 4 I 3.6798 8.2398 122.6178 61.2352 37.6494 175.1979 5 P 4.6052 0.0000 0.0000 61.9392 33.6721 177.3860 6 K 3.9961 8.4807 118.0782 60.0472 32.4031 179.1114 7 E 3.9728 8.0956 119.7310 59.4152 29.3992 178.6368 8 M 4.0660 7.9511 117.8895 58.3399 32.3608 178.0084 9 L 3.9307 8.0541 119.3261 57.8327 41.7352 179.5195 10 R 3.8219 8.1938 118.3540 59.3350 30.0323 178.2132 11 A 3.9924 7.9677 120.5944 55.4178 18.4089 179.7298 12 Q 3.8745 8.2000 116.4853 59.3215 28.8171 178.9418 13 T 3.8121 8.0455 116.8541 66.6783 68.4370 175.9697 14 N 4.2654 8.3452 118.6056 56.6980 38.7720 177.3029 15 V 3.5883 7.7701 119.0293 66.1638 31.4637 178.1266 16 I 3.6589 7.6127 118.9775 64.5207 37.0447 178.4191 17 L 4.0060 7.9905 119.6795 57.9132 41.4638 179.7012 18 L 4.0762 8.4497 119.0771 57.4243 41.2515 179.1282 19 N 4.4253 7.7710 115.7640 55.5932 38.7474 177.1482 20 V 3.7445 8.0065 120.1125 66.2991 31.7346 178.1718 21 L 4.2754 7.9395 119.7424 57.1501 41.1947 179.4663 22 K 3.9834 7.8879 118.8362 59.5187 32.1356 178.6020 23 Q 4.2329 8.0053 117.9012 56.0782 29.1020 176.8120 24 G 4.4282 7.2007 112.3022 44.8443 0.0000 171.5637 25 D 4.9152 8.5887 122.1475 55.4259 41.6344 175.4965 26 N 5.3897 9.2853 119.1620 52.9249 43.1471 172.5284 27 Y 5.1049 8.2182 120.1188 54.4654 40.8092 176.6091 28 V 3.4854 8.9192 120.2421 66.5530 31.5210 177.5061 29 Y 3.9753 8.2175 118.4736 60.8508 38.6947 178.1799 30 G 3.1718 6.3220 105.7594 47.5958 0.0000 175.4496 31 I 3.6028 7.4818 122.0375 64.3333 37.1830 178.5828 32 I 3.5410 7.6257 120.7663 64.1053 36.8165 178.5105 33 K 3.7353 7.7552 120.5041 59.2807 32.0285 178.7167 34 Q 3.8745 7.9991 119.8878 59.2571 29.0055 178.4412 35 V 3.5563 7.7237 119.2526 65.7103 31.4540 177.9175 36 K 4.1356 7.8383 120.8330 59.0409 31.9203 178.7296 37 E 3.9239 8.2215 118.7049 59.1810 29.1615 178.8400 38 A 4.2056 7.9098 119.4477 53.4496 19.0518 178.6106 39 S 4.5527 7.8201 112.0194 57.1880 63.2533 174.0263 40 N 4.2449 8.7799 117.7744 54.7220 36.2647 175.3871 41 G 3.9587 8.9742 106.1072 45.3903 0.0000 174.8573 42 E 4.1370 7.6625 118.0145 56.9954 30.2722 175.6198 43 M 4.3103 8.0688 118.8770 53.7554 32.1073 173.5626 44 E 4.6383 8.1320 127.5167 53.4524 29.7719 175.1147 45 L 4.0311 7.8409 123.8722 53.9151 42.8895 176.7683 46 N 4.4392 8.4120 120.9753 52.9639 39.8561 175.7935 47 E 3.5094 8.7476 123.7544 59.3573 29.4146 179.0965 48 A 4.1455 8.0793 121.3979 55.2764 18.4250 179.5028 49 T 3.7334 7.6570 107.7927 64.8377 68.6608 176.8489 50 L 3.3387 7.2790 121.2403 57.4421 41.5075 178.9128 51 Y 4.2024 7.3865 116.6093 61.2731 37.7747 178.5034 52 T 3.9018 8.2195 117.0345 66.9706 68.6435 176.7267 53 I 3.8061 7.7027 121.4409 64.3950 37.1108 178.6094 54 F 4.4041 9.0695 119.9379 60.1511 38.6065 177.2265 55 K 3.8901 8.4506 119.7669 60.0564 31.9340 178.6451 56 R 3.9329 7.7122 117.8442 59.2578 29.9839 178.4039 57 L 3.9998 8.1048 118.8799 57.8409 41.7835 179.1299 58 E 4.3908 8.8082 120.8694 58.7447 29.3721 178.7618 59 K 4.0222 8.0743 118.7679 59.2476 32.3510 177.6993 60 D 4.6838 8.0146 116.8586 54.1929 41.0620 177.2322 61 G 3.9344 7.7158 107.2797 45.8880 0.0000 174.3353 62 I 4.3190 8.0248 122.8315 61.9640 38.8131 175.5646 63 I 5.2182 7.6025 113.8446 59.1175 41.6592 174.1579 64 S 5.1541 9.0146 116.5975 57.0117 66.9578 172.6303 65 S 5.1017 8.4499 113.5527 56.9123 65.9467 172.6459 66 Y 4.8371 8.0680 118.1167 55.6301 41.6189 173.6162 67 W 4.8328 8.9214 120.5806 55.8933 30.0284 177.4338 68 G 4.4256 10.1808 118.7435 46.9281 0.0000 171.4040 69 D 5.1475 8.7658 122.8017 52.7988 45.0456 173.6652 70 E 4.8971 7.9317 117.5975 54.0446 31.8811 176.8462 *73 G 3.6637 8.3750 109.8713 45.9744 0.0000 172.4454 74 G 4.2211 7.5057 118.7508 44.8705 0.0000 169.4460 75 R 4.7405 8.1083 121.5093 55.1901 30.5306 175.7625 76 R 4.6870 8.7223 124.3760 54.4398 33.0774 174.8883 77 K 3.9388 8.2270 123.4346 55.3808 33.4358 174.8519 78 Y 4.5804 8.4718 125.8134 56.8362 40.1774 174.3966 79 Y 5.2486 9.1426 120.2301 56.2723 41.7146 174.9832 80 R 4.9904 9.0761 118.0680 54.0644 33.4179 174.1446 81 L 4.4633 8.6704 124.4822 55.7342 42.7736 176.8667 82 T 4.3283 8.6034 117.0981 60.9881 70.5888 175.6726 83 E 4.0153 8.8351 120.4821 59.6740 29.3091 179.6663 84 I 3.8558 7.8490 119.5770 63.9943 37.1951 178.3885 85 G 3.6737 8.1747 106.7563 48.2271 0.0000 175.2626 86 H 4.1061 8.3118 119.2605 58.3365 28.7125 177.2526 87 E 3.9290 8.3043 120.9528 59.5522 29.3431 178.3373 88 N 4.3112 8.4559 116.6215 56.9960 38.6492 177.1640 89 M 4.1069 8.1196 119.6073 58.3583 31.9274 178.9328 90 R 3.9272 8.0109 118.5327 59.6052 30.2929 178.6400 91 L 4.0287 8.4218 118.9107 57.6501 41.5204 179.5069 92 A 4.1363 8.5445 121.3578 54.9277 18.4158 179.2691 93 F 4.0946 8.5728 119.3524 61.6478 39.4859 177.2790 94 E 4.0187 8.7238 118.2560 59.4218 29.2918 179.1389 95 S 4.0183 8.3681 113.4354 61.4528 62.4627 176.3552 96 W 4.1150 8.2599 121.2192 59.2726 28.8396 178.6604 97 S 3.9932 8.0634 113.5553 61.2639 61.7600 176.3880 98 R 3.8961 8.0244 120.8981 59.0046 29.7527 178.9112 99 V 3.5150 7.6337 118.1023 66.3798 31.4429 177.7425 100 D 4.4037 8.2494 118.3131 57.3489 40.5488 178.8784 101 K 3.9783 7.9602 119.5831 59.5242 32.2296 178.9338 102 I 3.6829 7.8845 120.1351 64.3399 36.9577 178.5567 103 I 3.6922 7.9655 120.6669 64.3413 36.9834 177.7189 104 E 3.9070 8.5132 120.6265 59.8446 29.2754 178.8859 105 N 4.3831 8.3764 116.2841 56.0724 38.5896 177.4122 106 L 3.9945 8.0192 120.4955 57.8401 41.6752 179.4987 107 E 3.9144 8.2325 118.1777 59.3424 29.3642 179.2000 108 A 4.0017 8.1023 120.7924 55.3284 18.3631 179.4637 109 N 4.2663 8.5590 115.3855 56.1550 38.4248 177.4947 110 K 3.8892 7.9968 121.0054 59.5983 32.1106 178.9684 111 K 3.9969 8.4424 119.3374 59.4419 32.0787 179.4833 112 S 4.2002 8.4474 114.8248 61.2855 63.0426 176.2756 113 E 4.0724 8.4236 120.9644 58.3816 29.1874 178.6918 114 A 4.1856 7.5121 120.7634 54.7646 18.6720 179.3376 115 I 3.7921 7.2289 117.2796 64.5050 37.3801 176.4841 116 K 4.1627 7.7210 121.6239 56.7074 31.8454 176.9086 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 4.42 0.00 2.05 1.96 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 2.12 0.00 2 A 8.29 4.26 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 3 E 8.77 4.06 0.00 1.96 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 2.31 2.34 0.00 4 I 8.24 3.68 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.89 0.00 0.00 5 P 0.00 4.61 0.00 2.49 2.18 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 6 K 8.48 4.00 0.00 2.00 2.11 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.53 7.81 7 E 8.10 3.97 0.00 2.09 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 2.43 0.00 8 M 7.95 4.07 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 9 L 8.05 3.93 0.00 1.90 1.68 0.90 0.63 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 10 R 8.19 3.82 0.00 1.96 2.13 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 11 A 7.97 3.99 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 12 Q 8.20 3.87 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 13 T 8.05 3.81 4.20 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 1.14 0.00 0.00 14 N 8.35 4.27 0.00 3.02 2.90 0.00 0.00 6.69 8.12 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 15 V 7.77 3.59 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 1.03 0.00 0.00 0.95 0.00 0.00 16 I 7.61 3.66 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.56 0.87 0.00 0.00 17 L 7.99 4.01 0.00 1.90 1.91 0.83 0.43 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 18 L 8.45 4.08 0.00 1.71 1.70 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.77 4.43 0.00 2.96 2.86 0.00 0.00 6.92 7.15 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 20 V 8.01 3.74 2.27 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 1.03 0.00 0.00 0.97 0.00 0.00 21 L 7.94 4.28 0.00 1.72 1.69 0.66 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.89 3.98 0.00 1.84 1.99 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 23 Q 8.01 4.23 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 24 G 7.20 4.43 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 0.00 25 D 8.59 4.92 0.00 2.72 2.90 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 0.00 0.00 0.00 26 N 9.29 5.39 0.00 3.01 2.65 0.00 0.00 6.75 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 27 Y 8.22 5.10 0.00 2.88 2.21 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 28 V 8.92 3.49 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 0.82 0.00 0.00 1.08 0.00 0.00 29 Y 8.22 3.98 0.00 3.26 3.14 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 30 G 6.32 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 0.00 0.00 0.00 31 I 7.48 3.60 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.84 0.00 0.00 32 I 7.63 3.54 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.69 0.00 0.00 33 K 7.76 3.74 0.00 1.55 1.77 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.33 7.81 34 Q 8.00 3.87 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 35 V 7.72 3.56 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 0.87 0.00 0.00 0.88 0.00 0.00 36 K 7.84 4.14 0.00 1.88 1.85 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.27 7.81 37 E 8.22 3.92 0.00 2.20 1.96 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 2.30 2.44 0.00 38 A 7.91 4.21 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 39 S 7.82 4.55 0.00 4.03 4.03 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 40 N 8.78 4.24 0.00 2.82 2.92 0.00 0.00 7.10 7.50 0.00 0.00 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 G 8.97 3.96 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 0.00 0.00 0.00 42 E 7.66 4.14 0.00 2.16 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 2.26 2.20 0.00 43 M 8.07 4.31 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 44 E 8.13 4.64 0.00 1.86 1.76 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 2.08 2.18 0.00 45 L 7.84 4.03 0.00 1.50 1.41 0.78 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.41 4.44 0.00 2.65 2.59 0.00 0.00 6.85 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 47 E 8.75 3.51 0.00 1.67 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 2.43 0.00 48 A 8.08 4.15 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 49 T 7.66 3.73 4.12 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 1.13 0.00 0.00 50 L 7.28 3.34 0.00 1.16 0.64 0.57 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.39 4.20 0.00 3.09 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 52 T 8.22 3.90 4.37 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 1.22 0.00 0.00 53 I 7.70 3.81 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.95 0.99 0.00 0.00 54 F 9.07 4.40 0.00 2.91 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 55 K 8.45 3.89 0.00 2.03 2.10 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.54 7.81 56 R 7.71 3.93 0.00 2.14 1.95 0.00 3.35 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 57 L 8.10 4.00 0.00 2.06 1.65 1.00 0.75 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 58 E 8.81 4.39 0.00 2.18 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 2.36 2.37 0.00 59 K 8.07 4.02 0.00 1.80 2.12 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.55 7.81 60 D 8.01 4.68 0.00 2.92 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 61 G 7.72 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 0.00 0.00 0.00 62 I 8.02 4.32 2.01 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 1.29 0.60 0.89 0.00 0.00 63 I 7.60 5.22 1.85 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.73 0.00 0.00 64 S 9.01 5.15 0.00 3.89 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 65 S 8.45 5.10 0.00 3.08 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 66 Y 8.07 4.84 0.00 3.07 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 67 W 8.92 4.83 0.00 3.27 3.21 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 68 G 10.18 4.43 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 0.00 69 D 8.77 5.15 0.00 2.71 2.59 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 0.00 0.00 0.00 0.00 70 E 7.93 4.90 0.00 1.92 1.82 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 2.28 2.22 0.00 *73 G 8.37 3.66 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 0.00 0.00 0.00 74 G 7.51 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 0.00 0.00 0.00 0.00 75 R 8.11 4.74 0.00 1.79 1.81 0.00 2.93 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.67 0.00 76 R 8.72 4.69 0.00 1.63 1.16 0.00 2.72 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.36 0.00 77 K 8.23 3.94 0.00 0.79 1.26 0.00 0.96 0.00 0.00 1.44 0.00 0.00 2.26 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.37 0.26 7.81 78 Y 8.47 4.58 0.00 1.53 2.37 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 79 Y 9.14 5.25 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 80 R 9.08 4.99 0.00 1.96 2.43 0.00 2.89 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 81 L 8.67 4.46 0.00 1.61 1.60 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.60 4.33 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 1.20 0.00 0.00 83 E 8.84 4.02 0.00 2.05 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 2.39 2.40 0.00 84 I 7.85 3.86 2.04 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 1.59 0.70 0.93 0.00 0.00 85 G 8.17 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.31 4.11 0.00 3.42 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.30 3.93 0.00 2.21 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 0.00 2.33 2.44 0.00 88 N 8.46 4.31 0.00 3.09 2.91 0.00 0.00 7.11 7.22 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 89 M 8.12 4.11 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 90 R 8.01 3.93 0.00 1.94 2.12 0.00 3.11 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 1.69 1.69 0.00 91 L 8.42 4.03 0.00 1.90 1.75 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.54 4.14 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 4.09 0.00 3.29 3.31 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 94 E 8.72 4.02 0.00 2.27 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 2.49 2.66 0.00 95 S 8.37 4.02 0.00 3.97 3.91 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 96 W 8.26 4.11 0.00 3.52 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 97 S 8.06 3.99 0.00 3.43 3.91 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 98 R 8.02 3.90 0.00 2.02 1.91 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 99 V 7.63 3.51 2.29 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 1.08 0.00 0.00 0.53 0.00 0.00 100 D 8.25 4.40 0.00 2.91 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 0.00 101 K 7.96 3.98 0.00 1.87 1.91 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 102 I 7.88 3.68 2.00 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 1.50 0.89 0.89 0.00 0.00 103 I 7.97 3.69 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.93 0.00 0.00 104 E 8.51 3.91 0.00 2.13 2.19 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 2.32 2.38 0.00 105 N 8.38 4.38 0.00 2.94 2.84 0.00 0.00 7.06 7.40 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 0.00 106 L 8.02 3.99 0.00 1.89 1.72 0.92 0.68 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 0.00 107 E 8.23 3.91 0.00 2.18 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 2.33 2.33 0.00 108 A 8.10 4.00 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 0.00 109 N 8.56 4.27 0.00 2.71 2.88 0.00 0.00 6.68 7.22 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 0.00 110 K 8.00 3.89 0.00 1.89 2.08 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 111 K 8.44 4.00 0.00 2.06 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.45 7.81 112 S 8.45 4.20 0.00 4.03 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 0.00 113 E 8.42 4.07 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 2.34 2.49 0.00 114 A 7.51 4.19 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 0.00 115 I 7.23 3.79 2.01 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 1.52 0.69 0.91 0.00 0.00 116 K 7.72 4.16 0.00 1.78 1.73 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.