NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.3998 8.1749 110.9477 60.5353 70.6221 173.9932 -4 E 5.3579 8.1905 115.4719 56.7229 32.8992 174.2013 -3 F 4.8241 8.5005 120.9144 56.1481 42.9421 173.4370 -2 K 4.0753 7.6936 127.7891 53.5758 35.1056 175.3330 -1 A 3.7306 7.8500 127.3024 52.4144 19.4479 177.4267 -4 G 4.9679 8.1005 104.0720 45.2229 0.0000 172.5013 -3 S 4.6741 8.5105 116.3144 56.7481 67.1421 172.2370 -2 A 4.0753 7.6436 131.1891 49.8758 21.1056 176.5330 -1 K 3.7306 7.9000 123.9024 56.1144 33.4479 176.2267 5 K 4.1683 8.1569 118.3075 59.5344 32.1461 179.3624 6 G 3.7123 8.1512 105.1069 47.8716 0.0000 175.4115 7 A 2.5800 7.7022 122.9403 54.3870 18.3900 179.5275 8 T 3.9408 7.6376 107.6121 64.2162 69.1202 176.8234 9 L 3.9256 7.7283 123.2316 57.8113 42.0840 178.4599 10 F 3.9718 7.9184 120.2815 61.3855 39.1159 177.2337 11 K 3.9974 7.8341 116.8106 59.6232 31.9414 179.0409 12 T 4.1405 7.8015 108.5442 63.3839 69.1156 176.0625 13 R 4.5589 8.2435 118.4078 55.8823 32.3308 175.9427 14 C 4.3364 7.8750 114.7458 59.3781 30.5654 175.9529 15 L 3.9567 7.2860 119.8341 57.1693 41.9051 177.3974 16 Q 4.0467 7.9720 118.6083 58.8756 28.9266 177.1840 17 C 4.6691 7.8597 112.1697 59.7918 29.7230 172.8724 18 H 5.2069 8.0495 116.3540 54.1818 32.6561 172.2546 19 T 4.8233 8.3827 110.3177 60.2429 71.2664 174.9131 20 V 4.2573 8.3002 113.5886 60.7937 34.0195 176.5402 21 E 4.1585 7.9018 118.2217 55.1900 30.3152 176.0243 22 K 3.7754 8.0818 122.2309 57.9974 32.3635 176.9240 23 G 3.8533 9.0411 114.1608 45.6656 0.0000 172.8080 24 G 4.0584 7.5440 107.5753 43.0133 0.0000 172.4847 25 P 4.5833 0.0000 0.0000 61.4975 32.8456 175.4493 26 H 4.7480 8.3165 116.0160 55.8071 30.3982 175.1831 27 K 4.6786 8.2085 122.2369 56.2526 32.3210 177.9366 28 V 3.6925 9.0728 126.5410 66.5967 31.3047 175.6561 29 G 4.0467 7.9877 106.5748 43.2097 0.0000 170.8878 30 P 4.3705 0.0000 0.0000 61.7078 32.3085 175.7834 31 N 4.5700 8.9575 119.8522 54.0353 39.6900 174.5145 32 L 4.4023 8.8909 124.6839 54.4065 42.2309 175.8658 33 H 4.0527 8.1748 119.5907 57.7831 29.9480 174.9386 34 G 3.9689 8.6481 115.0955 46.6412 0.0000 174.8421 35 I 3.7186 7.4158 121.4702 62.8876 38.3233 175.9159 36 F 4.3408 7.8648 119.1040 58.3236 39.1953 175.8629 37 G 3.9607 10.1971 113.5373 45.4990 0.0000 173.2791 38 R 4.5644 7.5621 119.9046 55.3775 32.3360 175.1732 39 H 5.0844 8.5511 120.3166 54.4765 30.5080 175.2784 40 S 4.2889 8.5759 115.7993 58.9773 63.6324 174.1550 41 G 2.0819 8.2747 108.7309 46.8992 0.0000 173.9707 42 Q 4.5084 7.8591 114.3818 54.6783 30.5975 175.9243 43 A 4.2684 8.1058 121.9519 51.9827 19.0088 177.4181 44 E 4.3425 8.7151 122.5241 56.7085 30.6985 176.8332 45 G 4.0112 9.0217 111.3487 45.6017 0.0000 172.3853 46 Y 4.4055 7.6077 120.5861 55.3966 40.8317 174.8476 47 S 4.4521 7.2997 122.0045 57.4614 61.0269 172.9840 48 Y 4.6322 8.1113 123.6426 56.9541 39.2238 176.3220 49 T 4.2906 8.4195 112.1400 61.4022 71.2003 175.2458 50 D 4.4507 8.7108 121.6108 57.6022 40.8984 178.6834 51 A 3.9867 8.1389 120.6463 55.6602 17.7624 179.4635 52 I 3.7434 7.5889 116.0848 63.9695 37.8174 178.0748 53 I 3.5703 7.1203 119.0552 64.2788 37.0179 178.1983 54 K 4.0993 7.6843 117.4271 58.6472 31.9909 179.0000 55 K 3.8646 7.6727 119.7093 57.4024 32.4162 176.2316 56 N 3.9568 7.6542 114.7207 53.8333 38.1268 174.1346 57 V 3.3239 7.5145 116.1557 62.8145 32.8849 174.3312 58 L 4.5095 7.8837 129.0271 52.9241 43.0700 175.9140 59 W 4.8579 8.6663 128.1203 56.5416 29.5639 175.1481 60 D 5.1328 8.7592 124.5325 50.7142 41.6804 176.7771 61 E 3.8831 9.0734 118.4234 59.9004 28.3933 179.1229 62 N 4.3494 8.2891 116.6694 55.5361 38.9076 176.7918 63 N 4.3538 10.8329 118.3789 57.0390 39.1925 176.4945 64 M 4.1601 8.4674 119.6533 58.9518 31.9293 178.0969 65 S 4.2360 7.4393 112.1190 61.0973 63.0329 175.6684 66 E 4.0791 7.8790 120.5081 59.1253 29.3037 178.5923 67 F 4.1268 7.9337 120.7614 61.7804 39.4596 177.4311 68 L 3.9425 8.1317 117.8276 57.6871 40.8229 179.7420 69 T 4.3076 7.7535 117.3955 65.1807 69.1665 172.9385 70 N 4.7516 7.9950 114.2546 52.1594 41.0694 172.5877 71 P 3.9428 0.0000 0.0000 63.5642 32.1667 177.8585 *73 K 4.3124 7.9531 120.5232 56.5208 33.7391 176.2252 74 Y 4.3797 8.2318 118.8489 59.6958 39.1884 175.3556 75 I 4.5607 8.4461 120.7828 58.2126 38.0876 171.4983 76 P 4.5012 0.0000 0.0000 63.6187 31.9522 176.6671 77 G 4.1094 9.1030 110.7291 45.7620 0.0000 174.0939 78 T 4.0591 7.7559 114.4123 62.2623 67.6798 174.0219 79 K 4.1901 8.6593 125.6984 57.8613 33.3745 176.3289 80 M 4.0460 7.9485 119.5719 56.2974 31.9662 176.1527 81 A 4.5202 8.3635 131.4936 50.4481 17.7112 174.1598 82 F 4.8662 8.0271 120.7637 55.8387 42.7849 174.6075 83 G 3.3463 8.4971 117.6005 49.1563 0.0000 173.2280 84 G 4.0195 5.3800 103.3398 43.3742 0.0000 172.7065 85 L 4.6273 8.1918 120.0263 52.5195 42.4496 177.9587 86 K 3.9916 8.5028 124.0420 58.6793 32.5422 178.9548 87 K 4.2938 7.8659 118.9526 55.4871 33.6030 177.4217 88 E 4.0003 8.8315 124.8492 59.0464 29.6101 178.9487 89 K 3.9346 8.0643 118.4881 60.3288 32.5861 178.6454 90 D 4.3871 8.1261 119.7685 56.9892 40.6752 178.8652 91 R 4.0360 7.8649 118.6632 59.3047 30.0715 178.9364 92 N 4.6702 8.5099 116.3512 56.4508 38.7196 177.0775 93 D 4.3976 8.4217 120.5662 57.3954 40.9926 178.5665 94 L 4.1046 8.5338 120.8406 58.6025 42.1606 179.1895 95 I 3.8320 8.2785 119.7741 64.5193 36.4025 178.6339 96 T 3.9805 8.1375 116.8867 66.7451 68.2244 176.0419 97 Y 4.0800 7.9836 120.9171 60.6334 38.8141 177.8168 98 L 3.6488 7.9218 119.8211 57.6914 41.6054 179.1256 99 K 3.0507 8.0176 118.5856 59.3704 31.8575 178.1676 100 K 3.9466 7.4025 118.4008 59.2579 32.1192 178.6976 101 A 3.6897 7.8751 120.1533 54.2323 18.5931 178.6327 102 T 3.9595 7.7104 107.0462 62.0164 69.0639 174.6950 103 E 4.0318 7.3795 127.7866 56.6286 29.6657 175.8738 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 -5 T 8.17 4.40 4.42 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 1.27 0.00 0.00 -4 E 8.19 5.36 0.00 2.08 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 2.20 2.36 0.00 -3 F 8.50 4.82 0.00 2.97 3.15 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 0.00 0.00 0.00 -2 K 7.69 4.08 0.00 1.50 1.38 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.13 1.24 7.81 -1 A 7.85 3.73 1.21 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 0.00 0.00 -4 G 8.10 4.97 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 -3 S 8.51 4.67 0.00 3.72 3.98 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 -2 A 7.64 4.08 1.15 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 0.00 0.00 0.00 0.00 0.00 -1 K 7.90 3.73 0.00 1.63 1.47 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.36 7.81 5 K 8.16 4.17 0.00 1.95 1.96 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.47 7.81 6 G 8.15 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 0.00 0.00 0.00 7 A 7.70 2.58 0.97 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 8 T 7.64 3.94 4.21 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 1.17 0.00 0.00 9 L 7.73 3.93 0.00 2.09 1.73 0.94 0.88 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 10 F 7.92 3.97 0.00 3.11 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 11 K 7.83 4.00 0.00 1.77 1.86 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.68 7.81 12 T 7.80 4.14 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 1.19 0.00 0.00 13 R 8.24 4.56 0.00 1.72 1.96 0.00 3.43 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 14 C 7.88 4.34 0.00 1.23 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 0.00 0.00 0.00 15 L 7.29 3.96 0.00 1.53 1.74 1.16 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.97 4.05 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 17 C 7.86 4.67 0.00 2.84 2.83 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 0.00 0.00 0.00 18 H 8.05 5.21 0.00 3.26 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.38 4.82 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 1.27 0.00 0.00 20 V 8.30 4.26 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 0.13 0.00 0.00 0.76 0.00 0.00 21 E 7.90 4.16 0.00 2.08 2.07 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 2.35 2.24 0.00 22 K 8.08 3.78 0.00 1.06 1.53 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.41 7.81 23 G 9.04 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 24 G 7.54 4.06 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 0.00 0.00 0.00 25 P 0.00 4.58 0.00 2.19 2.06 0.00 3.78 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 1.97 1.98 0.00 26 H 8.32 4.75 0.00 3.30 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.21 4.68 0.00 1.83 0.95 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.36 7.81 28 V 9.07 3.69 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 0.79 0.00 0.00 0.94 0.00 0.00 29 G 7.99 4.05 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 0.00 0.00 0.00 30 P 0.00 4.37 0.00 1.74 0.81 0.00 3.57 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.14 0.00 31 N 8.96 4.57 0.00 2.98 2.82 0.00 0.00 6.96 7.78 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 32 L 8.89 4.40 0.00 1.61 1.46 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.17 4.05 0.00 3.34 3.24 0.00 6.10 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.65 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 35 I 7.42 3.72 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.32 0.00 0.00 36 F 7.86 4.34 0.00 3.11 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 37 G 10.20 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 38 R 7.56 4.56 0.00 2.07 1.88 0.00 3.13 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 39 H 8.55 5.08 0.00 2.94 3.12 0.00 5.95 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.58 4.29 0.00 3.78 3.59 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 41 G 8.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.86 4.51 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 43 A 8.11 4.27 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 4.34 0.00 2.02 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 0.00 2.32 2.36 0.00 45 G 9.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.41 0.00 2.53 2.32 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 47 S 7.30 4.45 0.00 3.67 3.40 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 48 Y 8.11 4.63 0.00 3.11 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 49 T 8.42 4.29 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 1.33 0.00 0.00 50 D 8.71 4.45 0.00 2.76 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 51 A 8.14 3.99 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 52 I 7.59 3.74 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.33 1.09 0.00 0.00 53 I 7.12 3.57 2.04 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 1.35 0.80 0.86 0.00 0.00 54 K 7.68 4.10 0.00 1.71 1.82 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.75 7.81 55 K 7.67 3.86 0.00 1.91 1.81 0.00 1.71 0.00 0.00 1.41 0.00 0.00 2.26 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.27 1.39 7.81 56 N 7.65 3.96 0.00 2.75 2.70 0.00 0.00 7.18 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 57 V 7.51 3.32 0.95 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 -0.82 0.00 0.00 0.58 0.00 0.00 58 L 7.88 4.51 0.00 1.42 1.37 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.67 4.86 0.00 3.41 2.75 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 60 D 8.76 5.13 0.00 2.83 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 61 E 9.07 3.88 0.00 1.17 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 2.05 2.30 0.00 62 N 8.29 4.35 0.00 3.02 2.97 0.00 0.00 6.81 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 63 N 10.83 4.35 0.00 3.14 3.09 0.00 0.00 6.77 7.53 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 64 M 8.47 4.16 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 65 S 7.44 4.24 0.00 3.84 4.10 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 66 E 7.88 4.08 0.00 1.83 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 2.43 2.40 0.00 67 F 7.93 4.13 0.00 3.05 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.94 0.00 1.76 1.75 0.92 0.40 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 69 T 7.75 4.31 4.41 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 1.23 0.00 0.00 70 N 7.99 4.75 0.00 2.70 2.69 0.00 0.00 7.17 7.02 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 71 P 0.00 3.94 0.00 2.24 1.75 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.90 0.00 *73 K 7.95 4.31 0.00 1.84 2.20 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.59 7.81 74 Y 8.23 4.38 0.00 3.21 3.47 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 75 I 8.45 4.56 2.10 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 1.19 0.89 0.94 0.00 0.00 76 P 0.00 4.50 0.00 2.06 2.02 0.00 3.62 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 2.02 2.10 0.00 77 G 9.10 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 78 T 7.76 4.06 4.53 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 1.48 0.00 0.00 79 K 8.66 4.19 0.00 1.97 2.00 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.52 7.81 80 M 7.95 4.05 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 81 A 8.36 4.52 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 82 F 8.03 4.87 0.00 2.84 2.83 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 0.00 0.00 0.00 83 G 8.50 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 0.00 0.00 0.00 84 G 5.38 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 85 L 8.19 4.63 0.00 1.97 1.67 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.50 3.99 0.00 1.73 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.40 7.81 87 K 7.87 4.29 0.00 1.98 1.74 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.49 7.81 88 E 8.83 4.00 0.00 2.06 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 2.40 2.41 0.00 89 K 8.06 3.93 0.00 2.03 2.07 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.56 7.81 90 D 8.13 4.39 0.00 2.94 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 91 R 7.86 4.04 0.00 2.09 2.08 0.00 3.26 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 92 N 8.51 4.67 0.00 2.89 3.00 0.00 0.00 7.05 7.80 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 93 D 8.42 4.40 0.00 2.85 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 94 L 8.53 4.10 0.00 1.79 1.77 1.24 1.14 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 95 I 8.28 3.83 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.48 0.31 0.00 0.00 96 T 8.14 3.98 4.50 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 0.00 0.00 0.00 1.33 0.00 0.00 97 Y 7.98 4.08 0.00 3.30 3.22 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 98 L 7.92 3.65 0.00 2.05 1.87 0.91 0.65 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 99 K 8.02 3.05 0.00 1.58 1.71 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.27 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.02 0.47 7.81 100 K 7.40 3.95 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.38 7.81 101 A 7.88 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.71 3.96 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 1.10 0.00 0.00 103 E 7.38 4.03 0.00 1.90 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 2.28 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.