NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 W 4.6749 8.1333 121.3305 56.9499 30.7592 177.6017 13 L 3.8371 7.6763 119.5568 57.2272 41.4138 176.3965 14 E 4.0286 8.4791 118.2147 59.0563 29.7474 179.3679 15 G 3.5603 7.8925 105.4741 47.9727 0.0000 175.8735 16 I 3.9739 9.1610 123.2083 63.6006 37.0237 178.8905 17 R 4.0133 9.0211 120.2483 59.3087 29.9917 178.9563 18 K 3.1084 7.6443 119.2239 58.7476 32.0156 178.6635 19 W 4.0069 8.0270 128.6660 60.5309 30.6879 177.3928 20 Y 3.3082 8.7210 119.9925 60.5570 38.0953 177.1584 21 Y 3.8244 8.4707 120.8678 60.9240 38.6390 178.0189 22 N 4.1008 7.6187 115.2882 55.6480 38.7513 177.0880 23 A 3.6052 6.9258 121.5013 54.4836 18.3171 179.1122 24 A 3.5903 7.2658 119.0082 53.9138 18.6947 179.0995 25 G 3.4315 7.0024 103.7756 46.8028 0.0000 175.3251 26 F 4.1882 6.7346 116.4254 59.1514 37.6842 176.9834 27 N 4.5210 6.8868 117.4530 55.6202 37.0313 176.9701 28 K 2.7097 7.2552 120.3316 57.6811 31.6835 178.0057 29 L 4.6051 7.3528 117.6774 53.8056 41.8820 177.1646 30 G 3.9702 7.8145 106.9140 45.7850 0.0000 174.1397 31 L 4.5239 7.6764 118.4545 54.2857 42.8540 176.0489 32 M 4.9686 9.7644 121.5061 53.6833 34.3990 177.3154 33 R 3.0821 9.7329 122.1154 59.9764 29.9424 178.8568 34 D 4.1692 7.9963 117.4198 57.0928 40.4714 178.1818 35 D 4.4883 8.1221 118.9397 56.4248 40.8577 177.5481 36 T 4.2035 7.3362 108.4790 60.4798 69.7429 174.8681 37 I 3.6557 6.7307 122.7492 61.1447 38.5794 174.7948 38 H 4.2889 8.6080 127.0786 56.1821 30.0523 175.3567 39 E 4.1480 8.4792 127.3232 55.7399 28.0854 176.4845 40 N 4.7261 7.9401 123.0381 51.6091 41.2961 175.0099 41 D 4.3377 8.4835 118.6556 57.5716 40.7604 178.6054 42 D 4.3451 8.0974 119.1803 57.3610 40.8654 178.7084 43 V 3.6128 8.5016 119.1153 66.0103 31.5339 178.1612 44 K 3.9574 8.2824 118.3963 59.4610 31.6186 178.9736 45 E 3.9596 7.9674 118.2009 58.9934 29.9838 178.3383 46 A 4.2250 8.0789 120.9295 55.2025 18.4337 179.5972 47 I 3.6890 8.0803 118.6120 64.6992 37.0239 178.5746 48 R 3.8621 7.7780 118.0098 59.3175 29.8950 177.9451 49 R 4.1750 7.5467 115.1246 56.0559 30.7850 176.9421 50 L 3.3859 7.0561 119.7169 53.4602 42.3831 175.9473 51 P 4.4119 0.0000 0.0000 62.4881 33.3320 177.1021 52 E 3.9479 8.8349 120.0294 59.9476 29.3552 179.6148 53 N 4.3253 8.1453 116.0295 56.1607 37.3309 177.0015 54 L 3.8100 7.8271 121.0589 57.3056 41.7641 178.7163 55 Y 3.8179 8.1817 119.5888 60.8669 38.7956 177.8879 56 D 4.4455 8.8751 120.1010 57.2430 40.7806 178.6344 57 D 4.2993 8.2799 119.8221 57.2303 40.8515 178.4638 58 R 3.6908 7.7229 119.2327 59.4514 29.9152 178.4150 59 V 3.3970 7.3861 117.7391 66.1218 31.4018 177.8043 60 F 4.1052 8.1251 120.1450 61.3432 39.2320 177.3458 61 R 3.7920 8.2238 117.8839 59.0622 29.8001 179.2309 62 I 3.6326 7.7683 119.7573 64.0481 37.1343 178.1721 63 K 3.7562 8.0788 120.8506 59.5502 31.9879 178.7109 64 R 3.5911 7.7389 118.9631 59.2385 29.8300 178.3672 65 A 3.9313 7.9345 120.5789 55.1124 18.3919 179.6147 66 L 3.8669 8.3613 117.9191 57.8780 41.5023 179.2658 67 D 4.3058 8.1888 118.1010 57.2354 41.1007 178.3610 68 L 3.9743 7.9279 119.5797 57.7782 41.6528 179.2859 69 S 4.0512 8.2433 113.3274 61.6728 62.0604 175.9152 70 M 4.0487 7.9386 119.7947 58.1807 32.0508 177.4384 71 R 4.2779 7.4608 115.3337 54.9259 31.2685 175.9888 72 Q 3.4841 7.9717 117.0261 57.3949 26.7459 172.5646 73 Q 4.8850 8.4377 114.4516 54.1377 33.4117 175.3896 74 I 4.7142 8.1015 112.8098 58.9474 41.0809 174.7935 75 L 4.5434 8.6988 122.7985 53.3454 42.8392 175.7189 76 P 4.3774 0.0000 0.0000 62.3094 32.1462 177.6428 77 K 2.0000 8.5008 123.3170 58.7731 31.8621 178.3507 78 E 3.9477 7.8136 114.9359 58.2960 29.5845 177.2117 79 Q 4.5081 8.0107 117.3519 55.3351 29.5381 175.9858 80 W 4.7131 7.6870 119.0018 56.7181 29.6496 176.2798 81 T 4.1344 8.6187 118.9566 63.9014 68.8073 173.8135 82 K 4.6885 8.5153 124.5602 54.8244 33.8601 176.7997 83 Y 3.0324 8.7858 124.1411 60.6363 38.6497 178.3514 84 E 3.7548 8.0904 117.0002 58.2393 29.8330 177.2457 85 E 4.3141 7.6965 116.7267 56.6642 30.5706 175.8443 86 D 4.5017 7.2973 119.4141 54.1104 41.4224 175.3790 87 K 4.5814 8.3456 124.8288 54.3905 35.9562 176.0930 88 S 4.4386 8.4996 116.1453 57.6600 61.7052 173.5054 89 Y 4.4631 8.0946 126.7755 58.6729 38.7995 177.0542 90 L 4.3202 7.7557 122.5950 57.1404 42.0833 177.7378 91 E 3.8616 8.0928 119.8976 59.0263 29.3553 177.2049 92 P 4.1252 0.0000 0.0000 66.1835 31.1753 177.8810 93 Y 3.9929 7.6393 115.8996 60.6758 37.8942 177.9929 94 L 4.0353 8.2664 121.4275 57.8682 42.1479 178.8100 95 K 3.8915 8.4118 120.1080 59.5067 32.0641 178.4323 96 E 3.9086 7.9676 119.6488 59.2349 29.6835 178.8403 97 V 3.5997 7.9257 118.3215 66.2010 31.5792 178.1417 98 I 3.7994 8.0457 119.6824 64.2021 36.9051 178.4211 99 R 3.9381 8.1640 119.8312 59.3100 29.9045 178.4521 100 E 3.9680 8.4529 118.6936 59.4172 29.5098 179.3102 101 R 3.9189 7.9338 118.4528 59.3469 30.1661 178.6652 102 K 4.1724 8.2160 118.3550 59.3933 32.1615 178.8735 103 E 4.0542 8.3916 119.5758 59.5540 29.6053 179.1507 104 R 4.0551 8.2148 118.0185 59.3198 29.9444 178.9756 105 E 4.0678 8.3475 118.5452 59.2256 29.2112 179.0775 106 E 3.9730 8.1501 117.8736 59.4451 29.6705 179.2901 107 W 4.0386 8.1739 116.8673 59.4886 29.3635 178.1535 108 A 4.2827 8.1592 121.0081 54.7185 17.5750 178.6391 109 K 4.3350 7.7428 116.1886 56.5519 33.0070 177.3522 110 K 4.2414 8.4505 124.8445 57.4390 34.0760 175.3413 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 *12 W 8.13 4.67 0.00 2.44 2.36 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 13 L 7.68 3.84 0.00 1.84 1.77 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.48 4.03 0.00 2.02 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 2.45 2.39 0.00 15 G 7.89 3.56 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 0.00 0.00 0.00 16 I 9.16 3.97 2.01 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 1.44 0.51 1.05 0.00 0.00 17 R 9.02 4.01 0.00 1.95 2.02 0.00 3.39 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 18 K 7.64 3.11 0.00 1.04 1.58 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.17 7.81 19 W 8.03 4.01 0.00 3.44 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 20 Y 8.72 3.31 0.00 3.36 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 21 Y 8.47 3.82 0.00 3.25 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 22 N 7.62 4.10 0.00 2.56 2.74 0.00 0.00 7.05 8.21 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 23 A 6.93 3.61 0.25 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 0.00 0.00 0.00 24 A 7.27 3.59 0.69 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 0.00 0.00 25 G 7.00 3.43 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 26 F 6.73 4.19 0.00 3.16 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 27 N 6.89 4.52 0.00 3.19 2.70 0.00 0.00 6.30 6.76 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 28 K 7.26 2.71 0.00 1.38 1.14 0.00 1.07 0.00 0.00 0.98 0.00 0.00 2.60 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.30 0.33 7.81 29 L 7.35 4.61 0.00 1.69 1.62 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.81 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 31 L 7.68 4.52 0.00 1.97 1.62 0.90 0.97 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 32 M 9.76 4.97 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 33 R 9.73 3.08 0.00 2.11 2.05 0.00 3.23 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.95 0.00 34 D 8.00 4.17 0.00 2.07 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 0.00 0.00 0.00 35 D 8.12 4.49 0.00 2.72 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 36 T 7.34 4.20 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 0.59 0.00 0.00 37 I 6.73 3.66 1.79 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 1.16 0.78 0.93 0.00 0.00 38 H 8.61 4.29 0.00 3.08 3.21 0.00 5.97 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.48 4.15 0.00 1.94 1.87 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 2.29 2.26 0.00 40 N 7.94 4.73 0.00 2.97 2.94 0.00 0.00 6.15 8.07 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 41 D 8.48 4.34 0.00 2.71 2.76 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 42 D 8.10 4.35 0.00 2.85 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 43 V 8.50 3.61 2.28 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 1.11 0.00 0.00 0.94 0.00 0.00 44 K 8.28 3.96 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.61 7.81 45 E 7.97 3.96 0.00 1.99 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 0.00 2.34 2.40 0.00 46 A 8.08 4.22 1.50 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 0.00 0.00 0.00 47 I 8.08 3.69 2.08 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 1.48 0.72 1.07 0.00 0.00 48 R 7.78 3.86 0.00 1.98 2.14 0.00 3.23 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 49 R 7.55 4.17 0.00 2.05 2.06 0.00 3.34 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 1.68 2.01 0.00 50 L 7.06 3.39 0.00 1.71 1.50 1.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.41 0.00 2.45 2.22 0.00 3.42 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 2.08 2.16 0.00 52 E 8.83 3.95 0.00 1.99 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 2.35 2.32 0.00 53 N 8.15 4.33 0.00 2.90 3.08 0.00 0.00 6.18 6.67 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 54 L 7.83 3.81 0.00 1.78 1.58 1.06 0.71 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 55 Y 8.18 3.82 0.00 2.98 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 56 D 8.88 4.45 0.00 2.71 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 57 D 8.28 4.30 0.00 2.67 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 58 R 7.72 3.69 0.00 1.58 1.78 0.00 3.03 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 59 V 7.39 3.40 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 1.03 0.00 0.00 0.49 0.00 0.00 60 F 8.13 4.11 0.00 3.19 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 61 R 8.22 3.79 0.00 1.84 1.93 0.00 3.45 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 62 I 7.77 3.63 1.89 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 1.34 0.55 0.84 0.00 0.00 63 K 8.08 3.76 0.00 1.83 1.71 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.41 7.81 64 R 7.74 3.59 0.00 1.03 1.63 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 65 A 7.93 3.93 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 L 8.36 3.87 0.00 1.72 1.69 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.19 4.31 0.00 2.81 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 68 L 7.93 3.97 0.00 1.87 1.93 0.90 0.69 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 69 S 8.24 4.05 0.00 3.83 4.04 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 70 M 7.94 4.05 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 71 R 7.46 4.28 0.00 1.88 1.94 0.00 3.37 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 72 Q 7.97 3.48 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 73 Q 8.44 4.89 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 74 I 8.10 4.71 1.94 0.00 0.00 1.00 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 0.83 0.81 0.00 0.00 75 L 8.70 4.54 0.00 1.95 1.84 1.05 1.37 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 76 P 0.00 4.38 0.00 2.16 1.95 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 77 K 8.50 2.00 0.00 0.79 1.24 0.00 1.01 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.74 0.21 7.81 78 E 7.81 3.95 0.00 2.05 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 2.22 2.24 0.00 79 Q 8.01 4.51 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 80 W 7.69 4.71 0.00 3.38 3.09 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 0.00 0.00 0.00 81 T 8.62 4.13 4.49 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 1.45 0.00 0.00 82 K 8.52 4.69 0.00 1.86 1.78 0.00 1.92 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.50 7.81 83 Y 8.79 3.03 0.00 2.66 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 84 E 8.09 3.75 0.00 1.97 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 2.37 2.48 0.00 85 E 7.70 4.31 0.00 2.10 2.01 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 2.27 2.22 0.00 86 D 7.30 4.50 0.00 2.81 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 87 K 8.35 4.58 0.00 1.78 1.67 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.33 7.81 88 S 8.50 4.44 0.00 3.77 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 89 Y 8.09 4.46 0.00 3.16 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 90 L 7.76 4.32 0.00 1.17 1.51 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.09 3.86 0.00 2.04 1.95 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 2.29 2.34 0.00 92 P 0.00 4.13 0.00 1.84 2.13 0.00 3.68 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 1.77 1.95 0.00 93 Y 7.64 3.99 0.00 3.23 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 94 L 8.27 4.04 0.00 1.80 1.68 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.41 3.89 0.00 1.89 1.94 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 96 E 7.97 3.91 0.00 2.04 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 2.31 2.37 0.00 97 V 7.93 3.60 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 1.03 0.00 0.00 1.05 0.00 0.00 98 I 8.05 3.80 2.02 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 0.87 0.92 0.00 0.00 99 R 8.16 3.94 0.00 1.95 2.09 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 100 E 8.45 3.97 0.00 2.21 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 2.33 2.43 0.00 101 R 7.93 3.92 0.00 1.93 2.07 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 102 K 8.22 4.17 0.00 2.00 1.87 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.61 7.81 103 E 8.39 4.05 0.00 2.11 2.20 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 2.42 2.57 0.00 104 R 8.21 4.06 0.00 2.09 2.00 0.00 3.16 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 105 E 8.35 4.07 0.00 2.23 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 2.36 2.51 0.00 106 E 8.15 3.97 0.00 2.24 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 2.55 2.52 0.00 107 W 8.17 4.04 0.00 3.45 3.38 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 0.00 108 A 8.16 4.28 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 0.00 109 K 7.74 4.33 0.00 1.81 1.82 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.58 7.81 110 K 8.45 4.24 0.00 1.98 1.90 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.30 7.81 * Residues marked with a * may have inaccurate shift predictions.