NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2731 0.0000 0.0000 62.6610 33.8483 174.0783 2 V 4.4204 7.9302 118.8581 60.9730 34.1645 172.7227 3 Y 4.7407 10.1279 128.9462 56.6827 39.8780 174.4950 4 M 4.3743 8.7573 126.1557 54.5866 33.5277 175.8468 5 V 4.4406 8.2102 124.8255 61.2412 34.0819 173.9770 6 Y 5.1121 8.8439 127.7126 57.1640 39.1545 175.5138 7 V 4.8740 8.6227 116.7939 59.6102 37.2121 174.7280 8 S 5.0897 8.4831 117.7224 57.2665 64.3333 174.3285 9 Q 4.0975 8.6472 122.7807 58.0497 28.5396 177.5506 10 D 4.6647 8.8147 118.3208 54.9084 39.6390 175.3562 11 R 3.9723 7.9614 118.9711 58.1843 30.2348 176.4762 12 L 4.6343 7.5238 117.2454 52.7073 43.6788 176.9774 13 T 4.1780 8.1696 114.4260 60.4834 71.2236 173.6175 14 P 4.0994 0.0000 0.0000 66.0403 30.9882 178.5910 15 S 4.0677 7.9588 112.3233 61.2114 62.3921 175.8006 16 A 4.0176 7.9324 123.5670 54.8955 17.9916 179.7177 17 K 3.4757 8.2039 117.5002 59.6712 31.9756 178.9888 18 H 4.2423 8.1230 117.9142 59.3386 29.7553 177.1806 19 A 3.9729 8.0265 122.6195 55.1371 18.1937 179.8368 20 V 3.5689 8.3983 117.0695 65.9481 31.5613 178.1954 21 A 4.0032 8.5398 120.8397 55.1412 18.3036 179.7941 22 K 3.8911 8.5159 117.2372 59.3745 32.1094 179.2315 23 A 3.9335 8.1632 121.1684 55.3846 18.3422 179.6390 24 I 3.4458 7.6726 117.8083 64.8601 37.1941 178.8631 25 T 3.8380 8.0860 116.7400 66.7695 68.2127 176.5162 26 D 4.3574 8.6515 120.9721 57.1416 40.7434 178.6593 27 A 3.9764 8.0873 121.3523 55.3749 18.3411 179.2009 28 H 4.0677 8.3610 119.1627 60.0153 29.9401 178.3634 29 R 4.2596 7.5898 123.8611 60.8420 29.0500 180.6862 30 G 3.8230 8.1748 105.9804 47.7162 0.0000 175.3354 31 L 4.2583 8.0080 120.4847 56.3875 41.9480 178.5404 32 T 4.2921 8.0638 108.3718 61.1263 69.7285 176.0431 33 G 3.9148 8.1381 108.7503 45.3389 0.0000 173.5213 34 T 3.9913 7.8510 120.2561 63.3241 69.2919 174.8607 35 Q 4.0376 8.7550 126.3595 56.2969 28.8908 175.5585 *36 H 4.1887 9.2234 119.0365 57.2605 27.9248 176.5985 37 F 4.4081 8.3990 113.0636 58.6523 37.6166 175.3660 38 L 4.0208 7.0262 121.7457 55.0490 42.0154 175.3377 39 A 4.7979 7.9759 120.4380 51.0649 20.4695 175.9863 40 Q 4.5771 9.0589 124.8360 54.4014 31.7100 174.4184 41 V 4.5415 8.3438 125.3584 61.0871 33.9180 173.9729 42 N 4.8157 8.8901 127.7583 51.7052 40.9367 173.1734 43 F 4.6955 8.7705 125.8047 57.1293 40.3555 175.1105 44 N 4.9301 9.2242 121.5405 51.7133 40.8244 173.3372 45 E 5.7235 8.7040 123.0939 54.5933 31.6372 175.8287 46 Q 4.8105 8.3771 120.1330 53.1818 33.9960 172.7394 47 P 4.6738 0.0000 0.0000 62.5629 32.6348 175.6271 48 A 3.9111 8.4899 124.6902 54.0323 18.6478 177.7708 49 G 3.9627 8.8799 109.7761 45.5482 0.0000 173.8412 50 N 4.7748 7.5617 114.8239 52.9317 39.4194 174.8927 51 V 4.3180 7.2086 119.2060 60.8207 33.3414 174.1994 52 F 5.1254 8.6245 124.6076 55.5765 42.1811 174.0170 53 L 4.5682 8.7799 125.7662 53.7821 43.2395 176.9392 54 G 4.0603 9.8182 112.0322 46.5626 0.0000 174.4494 55 G 3.9494 8.6059 106.8843 44.8758 0.0000 174.1405 56 V 4.2421 7.6664 120.5392 61.0338 32.7400 174.4450 57 Q 3.4906 8.5761 128.7808 56.0868 29.3345 175.6641 58 Q 4.2552 8.4784 126.6612 54.5241 30.5238 176.4141 59 G 3.8612 8.3766 112.2579 46.4562 0.0000 175.2236 60 G 4.5181 8.5441 115.5996 45.1670 0.0000 173.7134 61 D 4.4749 7.8740 120.4072 55.7398 41.4175 177.2720 62 T 4.3695 7.6576 115.5515 63.7054 69.5440 174.2620 63 I 4.7548 8.8922 125.1215 59.8747 41.1912 174.0371 64 F 5.5021 9.1996 130.9525 56.6636 41.2581 174.5192 65 V 4.3644 8.9962 127.9692 61.7710 33.0534 174.0989 66 H 5.0870 9.0711 130.0554 54.5202 31.4842 173.0424 67 G 3.7017 9.4508 115.0714 44.8799 0.0000 171.3941 68 L 4.8410 8.2893 126.3941 53.8259 43.1500 175.5976 69 H 5.0567 9.0213 121.5422 53.6028 32.2790 173.8147 70 R 4.5963 8.2376 120.1937 55.7846 30.7281 175.9862 71 E 4.3211 8.8231 125.8969 56.8828 30.1363 177.0691 72 G 4.0331 8.9549 107.4871 45.6070 0.0000 174.2250 73 R 4.5146 7.6150 118.6318 54.4115 31.9734 176.9084 74 S 4.3714 8.3234 115.9120 58.2101 65.0527 175.3998 75 A 4.0570 8.4350 124.0713 55.3469 18.1019 179.7601 76 D 4.2986 8.0517 117.0101 57.3404 40.8981 178.5988 77 L 3.9569 8.0947 120.7716 58.2847 42.1602 179.1929 78 K 4.3057 8.3036 118.5398 59.3367 31.9457 179.6793 79 G 3.6060 8.3487 106.2570 47.9963 0.0000 175.8457 80 Q 4.0746 8.3510 121.2064 58.4850 28.7126 178.7143 81 L 4.1102 8.5430 121.5816 58.0223 42.2856 178.8864 82 A 4.0264 8.4990 120.8850 55.2081 18.2519 179.4459 83 Q 3.8929 8.1837 118.0684 59.3521 29.1310 178.1440 84 R 3.8977 8.5228 120.1559 59.7240 29.9408 178.5366 85 I 3.7271 7.9484 119.5180 64.1320 37.0964 178.5655 86 V 3.6038 7.6515 118.7071 66.1098 31.5641 177.7463 87 D 4.3667 8.2584 118.5808 57.7225 40.6694 178.7320 88 D 4.3898 8.2983 119.3829 57.3030 40.7888 179.1015 89 V 3.6273 8.1899 119.4212 65.8023 31.5534 178.1219 90 S 4.2752 8.1998 114.1857 61.5796 62.5366 176.8681 91 V 3.5704 7.7970 121.2224 65.6554 31.1171 177.9202 92 A 4.0119 8.2294 119.4364 54.4182 18.3263 178.4649 93 A 4.4002 8.3756 116.4163 50.8000 20.4782 176.5307 94 E 3.8070 7.6242 116.7360 57.5921 27.7255 174.9223 95 I 4.6148 7.7163 116.1551 58.5888 41.5851 174.2132 96 D 4.4468 8.6882 126.3140 54.0962 41.9314 176.8066 97 R 3.9528 8.9404 126.4426 59.4551 30.0427 178.2254 98 K 4.0896 8.1433 115.7593 59.3165 32.7716 177.3050 99 H 4.7417 8.6754 116.6123 56.4852 29.1937 174.1957 100 I 5.1061 7.7374 121.5150 59.7209 38.2949 175.1681 101 W 4.9369 9.4192 127.2127 54.9348 32.1337 175.2522 102 V 5.0916 8.6054 122.6767 61.6968 34.0213 173.7878 103 Y 5.0726 9.5363 125.7251 56.3497 41.3567 174.4076 104 F 5.6388 9.0083 122.6424 55.8829 41.2187 175.2699 105 G 4.3826 9.4588 110.7706 44.5252 0.0000 171.9403 106 E 5.4331 8.6288 120.2242 54.8869 33.4927 175.1176 107 M 4.9729 8.5264 119.8679 53.1714 37.2591 173.0631 108 P 4.5294 0.0000 0.0000 62.4268 32.2916 177.2885 109 A 4.0363 8.6694 123.3030 55.4519 18.4432 179.8786 110 Q 4.1185 8.1446 113.8314 58.0789 28.9292 176.7116 111 Q 4.6984 7.8644 116.2776 55.7306 28.9976 175.5740 112 M 4.6524 7.8757 117.9419 54.6943 35.2531 175.2072 113 V 4.5733 8.4080 123.1592 60.8782 34.3124 174.3495 114 E 4.5432 8.4483 125.6164 55.8726 32.5958 175.5232 115 Y 3.5714 8.9899 119.6305 59.2446 35.4257 171.3031 116 G 3.9317 8.7004 107.4205 46.5855 0.0000 175.3952 117 R 4.2741 8.0648 123.9931 56.1388 30.2808 180.1953 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 P 0.00 4.27 0.00 1.72 1.97 0.00 3.58 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.33 0.00 2 V 7.93 4.42 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 0.92 0.00 0.00 0.81 0.00 0.00 3 Y 10.13 4.74 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.76 4.37 0.00 1.54 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 5 V 8.21 4.44 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 1.06 0.00 0.00 0.59 0.00 0.00 6 Y 8.84 5.11 0.00 3.09 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 7 V 8.62 4.87 2.14 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 0.88 0.00 0.00 1.03 0.00 0.00 8 S 8.48 5.09 0.00 3.89 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 9 Q 8.65 4.10 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 5.81 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 10 D 8.81 4.66 0.00 2.85 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 11 R 7.96 3.97 0.00 1.77 2.05 0.00 3.24 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 12 L 7.52 4.63 0.00 1.49 1.41 0.93 0.86 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 13 T 8.17 4.18 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 1.18 0.00 0.00 14 P 0.00 4.10 0.00 2.23 2.30 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 15 S 7.96 4.07 0.00 3.90 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 16 A 7.93 4.02 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 17 K 8.20 3.48 0.00 1.68 1.12 0.00 1.35 0.00 0.00 0.86 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.60 1.30 7.81 18 H 8.12 4.24 0.00 3.31 3.46 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.03 3.97 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 20 V 8.40 3.57 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 1.18 0.00 0.00 1.06 0.00 0.00 21 A 8.54 4.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 3.89 0.00 1.84 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.41 7.81 23 A 8.16 3.93 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 24 I 7.67 3.45 1.73 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 1.28 0.75 -0.05 0.00 0.00 25 T 8.09 3.84 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 1.22 0.00 0.00 26 D 8.65 4.36 0.00 2.81 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 27 A 8.09 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 28 H 8.36 4.07 0.00 3.40 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.59 4.26 0.00 1.87 1.92 0.00 3.32 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 30 G 8.17 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 31 L 8.01 4.26 0.00 1.68 1.73 0.96 0.98 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 32 T 8.06 4.29 4.09 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 0.95 0.00 0.00 33 G 8.14 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 0.00 0.00 0.00 34 T 7.85 3.99 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 1.12 0.00 0.00 35 Q 8.75 4.04 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.37 1.95 0.00 *36 H 9.22 4.19 0.00 2.83 3.12 0.00 7.16 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.40 4.41 0.00 3.19 3.25 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 38 L 7.03 4.02 0.00 0.93 1.45 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.98 4.80 1.26 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 40 Q 9.06 4.58 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 41 V 8.34 4.54 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 0.25 0.00 0.00 0.82 0.00 0.00 42 N 8.89 4.82 0.00 2.65 2.50 0.00 0.00 6.78 7.30 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 43 F 8.77 4.70 0.00 2.95 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 44 N 9.22 4.93 0.00 2.23 2.84 0.00 0.00 6.57 7.25 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 45 E 8.70 5.72 0.00 1.87 1.89 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 2.27 2.21 0.00 46 Q 8.38 4.81 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 47 P 0.00 4.67 0.00 2.11 2.19 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 48 A 8.49 3.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.88 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 50 N 7.56 4.77 0.00 2.96 2.89 0.00 0.00 6.71 7.56 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 51 V 7.21 4.32 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 0.78 0.00 0.00 0.85 0.00 0.00 52 F 8.62 5.13 0.00 2.91 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 53 L 8.78 4.57 0.00 1.84 1.65 1.03 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.82 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 55 G 8.61 3.95 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 0.00 0.00 0.00 56 V 7.67 4.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.97 0.00 0.00 57 Q 8.58 3.49 0.00 1.74 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.68 0.00 0.00 0.00 0.00 0.00 2.02 1.61 0.00 58 Q 8.48 4.26 0.00 1.77 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 59 G 8.38 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.54 4.52 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 0.00 0.00 0.00 61 D 7.87 4.47 0.00 2.41 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 0.00 0.00 0.00 62 T 7.66 4.37 4.16 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 0.00 0.00 0.99 0.00 0.00 63 I 8.89 4.75 2.00 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 1.20 1.02 1.02 0.00 0.00 64 F 9.20 5.50 0.00 2.88 3.02 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 65 V 9.00 4.36 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 1.14 0.00 0.00 0.96 0.00 0.00 66 H 9.07 5.09 0.00 2.67 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.45 3.70 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 0.00 0.00 0.00 68 L 8.29 4.84 0.00 1.60 1.47 0.59 1.07 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 69 H 9.02 5.06 0.00 2.87 3.01 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.24 4.60 0.00 1.77 1.77 0.00 3.22 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 71 E 8.82 4.32 0.00 1.87 1.88 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 2.35 2.41 0.00 72 G 8.95 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 0.00 0.00 0.00 73 R 7.62 4.51 0.00 1.82 1.85 0.00 3.14 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 74 S 8.32 4.37 0.00 4.06 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 75 A 8.43 4.06 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 76 D 8.05 4.30 0.00 2.79 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 77 L 8.09 3.96 0.00 1.77 1.85 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.30 4.31 0.00 2.00 2.19 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.72 7.81 79 G 8.35 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 4.07 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 81 L 8.54 4.11 0.00 2.05 2.07 0.89 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 82 A 8.50 4.03 1.17 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 83 Q 8.18 3.89 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 84 R 8.52 3.90 0.00 2.04 2.16 0.00 3.33 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 1.65 1.86 0.00 85 I 7.95 3.73 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.95 0.00 0.00 86 V 7.65 3.60 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 1.05 0.00 0.00 0.98 0.00 0.00 87 D 8.26 4.37 0.00 2.74 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 88 D 8.30 4.39 0.00 2.80 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 89 V 8.19 3.63 2.24 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 1.07 0.00 0.00 0.99 0.00 0.00 90 S 8.20 4.28 0.00 4.29 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 0.00 91 V 7.80 3.57 2.22 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 1.01 0.00 0.00 0.98 0.00 0.00 92 A 8.23 4.01 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 93 A 8.38 4.40 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 94 E 7.62 3.81 0.00 2.02 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 2.28 2.23 0.00 95 I 7.72 4.61 1.91 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 1.23 0.88 0.97 0.00 0.00 96 D 8.69 4.45 0.00 2.84 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.94 3.95 0.00 1.89 1.95 0.00 3.23 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 98 K 8.14 4.09 0.00 1.89 1.90 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.14 7.81 99 H 8.68 4.74 0.00 3.40 3.61 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.74 5.11 1.97 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 1.35 0.65 1.04 0.00 0.00 101 W 9.42 4.94 0.00 3.34 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 0.00 102 V 8.61 5.09 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 0.72 0.00 0.00 1.04 0.00 0.00 103 Y 9.54 5.07 0.00 3.14 2.98 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 0.00 104 F 9.01 5.64 0.00 2.87 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 0.00 105 G 9.46 4.38 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 0.00 106 E 8.63 5.43 0.00 1.82 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 2.21 2.33 0.00 107 M 8.53 4.97 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 108 P 0.00 4.53 0.00 2.38 2.27 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 109 A 8.67 4.04 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 0.00 110 Q 8.14 4.12 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.47 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 111 Q 7.86 4.70 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 112 M 7.88 4.65 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.40 0.00 113 V 8.41 4.57 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 0.88 0.00 0.00 0.93 0.00 0.00 114 E 8.45 4.54 0.00 2.15 1.75 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 2.10 2.20 0.00 115 Y 8.99 3.57 0.00 3.22 3.06 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 0.00 116 G 8.70 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 0.00 117 R 8.06 4.27 0.00 1.72 1.74 0.00 3.30 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 * Residues marked with a * may have inaccurate shift predictions.