NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.1909 8.2644 123.5828 51.8857 19.8781 175.8440 14 K 3.9915 7.9942 114.6291 52.7383 34.2393 173.4054 15 S 4.3449 8.9240 123.3857 58.6607 65.6835 174.8783 16 R 4.1737 8.4870 121.5286 59.2370 29.8337 179.5960 17 S 4.1226 8.0050 114.7963 61.5511 62.8832 175.9264 18 N 4.2686 8.0353 119.4513 56.8468 38.5390 176.8480 19 R 3.8503 8.3890 118.7262 58.7655 30.1938 177.2816 20 A 4.4833 8.1219 118.4361 50.9135 19.6450 176.6948 21 G 3.8008 8.2302 105.2485 46.8017 0.0000 173.8128 22 L 4.9348 8.1143 117.6490 52.6755 45.4889 177.3275 23 Q 4.2655 9.8045 120.5570 58.5142 29.2295 177.5240 24 F 3.8906 8.7604 115.6774 56.5196 39.5840 173.8850 25 P 4.3533 0.0000 0.0000 62.9477 31.0712 177.3172 26 V 3.6998 8.8001 125.0165 66.0570 31.6243 177.7686 27 G 3.7157 8.1201 104.9368 48.0358 0.0000 175.3882 28 R 3.9636 7.9667 121.0790 59.1309 30.0950 178.5039 29 I 3.9482 7.8695 119.6545 64.4573 37.1627 177.9408 30 H 4.2315 8.4418 119.3856 59.0977 29.7168 177.4105 31 R 3.8885 8.0876 120.5572 59.5338 29.9950 178.4198 32 L 4.1940 8.5419 119.1085 57.9291 41.3410 179.6273 33 L 4.2686 8.0336 118.3959 57.7662 41.3688 179.5141 34 R 4.1412 7.9723 117.8191 59.2194 29.9120 179.0385 35 K 4.1974 8.5525 118.2957 58.8415 32.2643 178.3183 36 G 3.3596 7.8596 103.7095 44.3520 0.0000 172.6130 37 N 4.0902 7.3517 115.8516 54.5587 35.8982 174.0216 38 Y 4.4457 7.5144 114.1471 59.2008 39.7722 176.0810 39 A 4.5206 7.3850 119.2138 51.2761 21.9449 176.0112 40 E 4.1395 8.9952 119.3411 58.8110 29.7340 178.1423 41 R 4.6609 7.7429 115.1000 54.1457 33.0088 175.5997 42 V 4.2719 8.1634 119.5375 60.6911 33.5047 175.6696 43 G 3.7580 8.5208 116.3837 45.1017 0.0000 173.1703 44 A 3.9756 8.7578 124.2579 55.0956 18.5752 180.0955 45 G 3.7596 8.0653 101.5048 46.9246 0.0000 175.5927 46 A 4.0053 7.9015 123.7459 54.9546 18.3401 178.0472 47 P 4.2388 0.0000 0.0000 65.5214 31.4472 178.8504 48 V 3.5492 7.6950 117.9675 66.0571 31.6562 177.0117 49 Y 3.8594 8.2705 119.5135 60.7018 38.5958 177.8723 50 L 4.0487 8.3099 121.0208 58.2239 42.2075 178.7261 51 A 4.0440 8.4280 120.7397 55.0705 18.1817 179.5314 52 A 3.8486 8.0313 119.3292 55.3233 18.4644 180.0788 53 V 3.5913 7.8370 116.7924 66.2124 31.5271 178.1998 54 M 3.9175 8.2050 118.7120 58.2626 31.7568 178.2868 55 E 2.7049 7.5082 119.2375 58.9338 29.7540 177.9404 56 Y 4.1260 8.0357 119.8002 60.9373 38.9045 178.3504 57 L 3.4685 7.8509 119.3664 57.5895 41.6928 179.4286 58 A 3.9615 7.9762 120.5502 54.9169 18.2112 179.6068 59 A 3.9089 8.1709 119.9216 54.9741 18.3770 179.3848 60 E 3.6961 7.8890 117.8444 59.4297 29.6339 179.2396 61 V 3.5189 7.4604 117.8451 66.0828 31.5976 178.0055 62 L 3.8004 8.0211 118.7294 57.5173 41.4814 178.9147 63 E 3.8840 8.5366 119.7416 59.4160 29.6191 178.8866 64 L 3.9475 8.0862 118.6083 57.7322 41.6498 179.5041 65 A 4.0797 8.8138 121.6513 55.1403 18.3914 179.6822 66 G 3.6709 8.5433 104.5759 48.3058 0.0000 175.5909 67 N 4.3487 8.1605 118.2932 55.8912 38.5320 177.4165 68 A 4.2806 8.3321 123.3790 54.6162 18.4616 179.4987 69 A 3.5015 8.1910 119.6603 55.0696 18.3423 179.9287 70 R 3.8408 7.8107 117.2572 59.6698 30.0705 178.4466 71 D 4.3936 8.3594 119.1044 56.9279 40.5402 177.2465 72 N 4.7344 7.8803 114.8614 52.5421 39.1652 174.5209 73 K 3.8953 8.0336 116.4980 58.1504 30.0144 175.6025 74 K 4.7005 8.3955 116.9660 54.9863 34.8946 176.7304 75 T 4.3710 8.4198 110.1739 61.3526 69.7433 174.1455 76 R 4.5498 7.6167 122.7745 54.3441 31.9893 174.9562 77 I 4.0914 8.4109 126.7863 61.0359 37.9348 175.2108 78 I 4.5830 8.1447 117.5614 57.7063 40.7147 174.3826 79 P 4.1838 0.0000 0.0000 65.9584 30.9152 178.5025 80 R 3.8537 7.9762 116.6126 60.0292 29.8773 177.9968 81 H 4.2681 7.8875 115.5032 58.8299 28.6754 177.8236 82 L 3.9952 7.7787 120.2796 57.7261 41.4626 179.1420 83 Q 3.9290 8.4091 119.7818 59.1525 29.1336 177.9812 84 L 3.9485 8.4702 120.0378 58.0210 41.3190 179.5023 85 A 4.0022 8.0669 120.2520 55.2507 18.0909 179.7754 86 I 3.6717 7.6417 117.1585 64.6784 37.3258 178.7236 87 R 4.2592 8.1484 117.3364 58.3976 30.0272 177.8876 88 N 4.8102 7.9179 114.4903 52.9974 39.1263 174.8386 89 D 4.6469 7.4304 120.4645 52.6145 41.6841 175.7226 90 E 3.8954 8.8296 128.7012 59.8036 29.5116 178.5127 91 E 4.0804 8.1473 117.5203 59.1173 29.9902 178.8731 92 L 4.0223 8.9718 119.4083 57.6772 41.3894 179.0720 93 N 4.3659 8.3514 116.9231 56.2778 39.0693 176.6268 94 K 4.1005 7.7314 120.7671 59.2154 32.1081 178.6219 95 L 4.0776 7.9713 119.7768 57.0340 42.1045 177.4103 96 L 4.7686 7.5999 117.6418 54.1448 42.2516 178.4575 97 S 4.0750 7.8156 116.7299 61.1081 62.7294 175.2945 98 G 3.9993 8.0070 107.3216 44.9238 0.0000 172.8862 99 V 4.3719 7.6813 119.2199 60.8972 33.3699 175.1244 100 T 4.4903 8.3149 121.9465 61.7648 70.7539 173.6522 101 I 4.1665 8.1707 127.1556 59.2635 37.6621 175.1362 102 A 4.0394 8.5121 128.9567 53.6643 18.6493 176.6062 103 Q 3.5348 8.6751 119.3712 57.1168 26.3345 174.8921 104 G 3.8229 7.8815 107.2098 44.4551 0.0000 176.3676 105 G 3.8367 7.9836 107.7632 45.2733 0.0000 171.6955 106 V 4.5329 7.9511 111.9277 59.1263 35.4248 174.6030 107 L 4.2945 8.2124 120.4281 53.5360 42.1504 175.6128 108 P 4.2530 0.0000 0.0000 62.9381 31.7150 175.6237 109 N 4.4383 8.2540 118.4472 52.9629 41.4788 173.3834 110 I 4.4491 8.2654 126.4470 59.1250 39.7541 175.3283 111 Q 3.9367 8.7880 124.0861 56.2514 29.4349 177.9673 112 A 4.0235 8.9265 125.0214 55.5792 18.4784 180.1793 113 V 3.7300 7.7500 107.2059 64.0992 31.6836 177.2460 114 L 4.2470 7.7568 118.1083 55.7976 41.8990 177.2903 115 L 4.2497 7.4963 119.1728 53.4271 42.2255 175.2961 116 P 4.4815 0.0000 0.0000 62.6880 32.7602 175.7133 *117 K 4.6272 9.4673 120.5275 54.8170 33.1754 171.0649 *118 K 4.0041 8.6003 117.6430 57.6867 30.2558 176.3112 *119 T 3.4552 8.7786 118.1627 62.9041 66.8316 175.4774 *120 E 4.4079 9.2034 116.2026 57.3432 30.4865 176.8007 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 13 A 8.26 4.19 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 14 K 7.99 3.99 0.00 1.76 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.50 7.81 15 S 8.92 4.34 0.00 4.10 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 16 R 8.49 4.17 0.00 1.91 2.05 0.00 3.17 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 17 S 8.01 4.12 0.00 3.89 4.14 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 18 N 8.04 4.27 0.00 2.88 2.99 0.00 0.00 6.92 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 19 R 8.39 3.85 0.00 1.90 2.11 0.00 3.31 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 20 A 8.12 4.48 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 21 G 8.23 3.80 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 0.00 0.00 0.00 22 L 8.11 4.93 0.00 1.60 1.79 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 9.80 4.27 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 24 F 8.76 3.89 0.00 2.97 3.05 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 0.00 0.00 0.00 25 P 0.00 4.35 0.00 2.25 2.20 0.00 3.54 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 26 V 8.80 3.70 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 1.04 0.00 0.00 0.99 0.00 0.00 27 G 8.12 3.72 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 0.00 0.00 0.00 28 R 7.97 3.96 0.00 1.90 1.95 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 29 I 7.87 3.95 1.94 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 1.49 0.66 0.96 0.00 0.00 30 H 8.44 4.23 0.00 3.40 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.09 3.89 0.00 1.95 2.08 0.00 3.16 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 1.65 1.68 0.00 32 L 8.54 4.19 0.00 1.92 1.80 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.03 4.27 0.00 1.95 1.83 0.91 0.92 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 34 R 7.97 4.14 0.00 2.10 2.00 0.00 3.09 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 1.70 1.93 0.00 35 K 8.55 4.20 0.00 1.87 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 36 G 7.86 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 0.00 0.00 0.00 37 N 7.35 4.09 0.00 2.69 2.77 0.00 0.00 6.88 7.34 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 38 Y 7.51 4.45 0.00 2.99 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 39 A 7.39 4.52 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 40 E 9.00 4.14 0.00 1.98 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 2.32 2.28 0.00 41 R 7.74 4.66 0.00 1.77 1.82 0.00 3.16 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 42 V 8.16 4.27 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 0.83 0.00 0.00 1.01 0.00 0.00 43 G 8.52 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 44 A 8.76 3.98 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 45 G 8.07 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 46 A 7.90 4.01 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 47 P 0.00 4.24 0.00 2.44 2.34 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.58 0.00 48 V 7.69 3.55 2.30 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 1.02 0.00 0.00 0.95 0.00 0.00 49 Y 8.27 3.86 0.00 3.27 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 50 L 8.31 4.05 0.00 1.90 1.69 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.43 4.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 3.85 1.24 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 0.00 0.00 0.00 53 V 7.84 3.59 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 1.11 0.00 0.00 1.08 0.00 0.00 54 M 8.20 3.92 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 55 E 7.51 2.70 0.00 1.51 1.85 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 2.22 2.29 0.00 56 Y 8.04 4.13 0.00 2.98 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 57 L 7.85 3.47 0.00 1.75 1.55 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.98 3.96 1.33 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 0.00 0.00 0.00 59 A 8.17 3.91 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 60 E 7.89 3.70 0.00 1.68 1.81 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 2.11 2.24 0.00 61 V 7.46 3.52 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 0.96 0.00 0.00 0.92 0.00 0.00 62 L 8.02 3.80 0.00 1.75 1.70 0.99 0.71 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 63 E 8.54 3.88 0.00 2.11 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 0.00 2.30 2.39 0.00 64 L 8.09 3.95 0.00 1.85 1.69 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.81 4.08 1.38 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 66 G 8.54 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 67 N 8.16 4.35 0.00 2.91 2.86 0.00 0.00 6.92 7.62 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 68 A 8.33 4.28 1.38 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 69 A 8.19 3.50 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 70 R 7.81 3.84 0.00 1.99 2.12 0.00 3.09 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 1.61 1.65 0.00 71 D 8.36 4.39 0.00 2.83 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 72 N 7.88 4.73 0.00 2.76 2.83 0.00 0.00 7.27 6.82 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 73 K 8.03 3.90 0.00 1.97 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.39 7.81 74 K 8.40 4.70 0.00 1.67 1.71 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.60 1.55 7.81 75 T 8.42 4.37 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 1.21 0.00 0.00 76 R 7.62 4.55 0.00 1.77 1.85 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 77 I 8.41 4.09 1.90 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 1.48 0.66 0.96 0.00 0.00 78 I 8.14 4.58 1.83 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 1.09 0.62 0.91 0.00 0.00 79 P 0.00 4.18 0.00 2.34 2.31 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 80 R 7.98 3.85 0.00 1.85 1.80 0.00 3.31 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 81 H 7.89 4.27 0.00 3.38 3.32 0.00 5.69 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 82 L 7.78 4.00 0.00 1.85 1.72 0.93 0.90 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 83 Q 8.41 3.93 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 84 L 8.47 3.95 0.00 1.85 1.73 0.95 1.06 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 85 A 8.07 4.00 1.31 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 0.00 0.00 86 I 7.64 3.67 1.95 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 1.51 0.62 0.91 0.00 0.00 87 R 8.15 4.26 0.00 1.77 1.99 0.00 3.36 0.00 0.00 3.29 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 88 N 7.92 4.81 0.00 2.81 2.86 0.00 0.00 6.85 7.89 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 89 D 7.43 4.65 0.00 2.87 2.55 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 90 E 8.83 3.90 0.00 2.07 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 2.39 2.43 0.00 91 E 8.15 4.08 0.00 2.06 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 2.39 2.40 0.00 92 L 8.97 4.02 0.00 1.69 1.70 0.88 0.65 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 93 N 8.35 4.37 0.00 2.94 2.87 0.00 0.00 7.18 6.28 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 94 K 7.73 4.10 0.00 1.88 1.78 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 95 L 7.97 4.08 0.00 1.67 1.91 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.60 4.77 0.00 1.74 1.60 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.82 4.07 0.00 3.95 4.13 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 98 G 8.01 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 0.00 0.00 0.00 99 V 7.68 4.37 2.25 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 0.83 0.00 0.00 0.94 0.00 0.00 100 T 8.31 4.49 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 1.21 0.00 0.00 101 I 8.17 4.17 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 1.35 1.04 0.91 0.00 0.00 102 A 8.51 4.04 1.24 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 0.00 0.00 0.00 103 Q 8.68 3.53 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 104 G 7.88 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 0.00 105 G 7.98 3.84 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 0.00 0.00 0.00 106 V 7.95 4.53 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 0.78 0.00 0.00 0.93 0.00 0.00 107 L 8.21 4.29 0.00 1.63 1.60 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.25 0.00 2.04 2.00 0.00 3.71 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 2.03 2.08 0.00 109 N 8.25 4.44 0.00 2.60 2.65 0.00 0.00 6.95 7.94 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 0.00 110 I 8.27 4.45 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 1.41 0.79 0.91 0.00 0.00 111 Q 8.79 3.94 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 112 A 8.93 4.02 1.31 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 0.00 0.00 113 V 7.75 3.73 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 0.74 0.00 0.00 0.93 0.00 0.00 114 L 7.76 4.25 0.00 1.77 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.50 4.25 0.00 1.75 1.59 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.48 0.00 2.17 2.09 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 *117 K 9.47 4.63 0.00 1.90 1.81 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.14 0.73 7.81 *118 K 8.60 4.00 0.00 1.95 1.84 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 0.99 7.81 *119 T 8.78 3.46 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 1.21 0.00 0.00 *120 E 9.20 4.41 0.00 1.93 1.67 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 2.13 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.