NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2122 8.1185 123.5816 51.8454 19.4051 178.1670 5 A 3.8997 7.3299 124.4840 55.9004 18.4740 177.5701 6 S 3.9916 8.0533 112.7035 60.4061 63.8627 175.0005 7 L 3.9303 7.8754 123.1402 58.1207 41.3401 178.9565 8 V 3.6744 7.7570 117.8270 65.8362 31.3827 178.3325 9 G 3.5613 7.5798 105.0741 47.7577 0.0000 175.1698 10 E 3.9222 8.6978 122.7355 59.0841 29.5920 178.8412 11 L 3.9451 8.0950 118.7689 57.9649 41.5927 179.5208 12 Q 4.0886 7.7596 116.5676 58.3370 28.7589 178.2467 13 A 4.0120 8.1215 122.1539 55.2129 18.3893 179.7516 14 L 4.0304 8.6875 117.9202 57.6191 41.5168 179.2732 15 D 4.3122 7.9136 117.7276 57.1957 41.1723 177.9483 16 A 3.9929 7.9896 121.2296 55.3282 18.3445 178.9023 17 E 3.8692 8.1618 117.6431 59.7849 29.5385 178.4927 18 Y 4.0764 8.2373 119.3273 60.8693 38.8885 178.0187 19 Q 3.9160 8.4636 119.2238 59.0894 28.7617 178.5365 20 N 4.2904 8.3419 118.0694 56.4825 38.9754 176.7011 21 L 3.8692 8.2353 121.9784 57.9526 42.2077 178.8344 22 A 3.7748 8.0127 121.1124 55.1377 18.2984 179.3788 23 N 4.2558 8.0332 114.9966 56.4868 38.5515 177.6343 24 Q 4.0163 8.3533 119.9959 58.9371 28.8366 178.7329 25 E 3.9611 8.1299 118.6420 59.5791 29.4838 178.8784 26 E 4.0004 8.2386 119.8494 58.7585 29.5873 178.6325 27 A 4.0900 8.1174 121.1670 54.7902 18.3833 179.6416 28 R 3.8381 8.2139 117.5735 59.5579 30.2409 178.5093 29 F 4.4706 8.4849 120.5501 61.4132 39.2993 176.9468 30 N 4.2026 8.2080 115.7766 56.2630 38.4736 176.8500 31 E 3.8514 8.3089 120.8258 59.5897 29.6089 178.8616 32 E 3.8430 8.3323 118.5666 58.9869 29.3991 179.3600 33 R 2.0000 7.3608 118.6508 58.5779 30.1183 178.2819 34 A 3.8173 7.9260 120.9505 55.3753 18.3523 179.6727 35 Q 3.8568 7.7975 116.0822 58.9020 28.6032 178.9274 36 A 3.9271 7.4202 121.4831 54.9980 18.4212 179.4145 37 D 4.2038 8.0944 117.3951 57.3766 40.8196 178.7818 38 A 3.9556 8.0351 121.0885 54.9991 18.2901 179.5574 39 A 3.8995 7.8231 119.2566 55.4426 18.4991 180.1542 40 R 3.8845 8.2398 116.9077 59.2150 30.2056 179.1167 41 Q 3.9066 8.1865 119.1361 59.1199 29.0829 178.1640 42 A 3.9645 8.0880 121.8088 55.0155 18.4264 179.1883 43 L 4.1274 8.5353 120.3906 57.6397 41.9195 178.9155 44 A 3.9850 8.0356 120.4981 55.5429 18.4118 179.6696 45 Q 3.9739 7.9391 115.8848 59.2199 28.7084 178.8790 46 N 4.4361 8.3742 117.6601 56.1618 38.5463 177.2291 47 E 3.9457 8.3716 120.2205 59.5492 29.4368 179.2201 48 Q 4.0009 7.8507 119.3975 59.2120 29.1438 178.4401 49 V 3.6884 7.7919 119.1957 65.7883 31.5650 177.5127 50 Y 4.0232 8.8029 119.8710 60.6154 38.6680 177.5577 51 N 4.4350 8.3047 118.7132 55.9423 38.6406 177.3113 52 E 3.9240 7.9289 119.7624 59.4718 29.4864 179.5233 53 L 3.7202 7.9608 119.2654 57.4962 41.7261 179.6918 54 S 3.8302 8.3702 114.7457 61.0817 63.0073 176.4218 55 Q 3.9339 7.9034 123.2541 58.9870 28.7061 178.0734 56 R 3.7601 7.9932 119.6961 59.3799 29.9988 178.3709 57 A 3.9267 7.9122 120.7317 55.0520 18.2986 179.5406 58 Q 3.9247 8.2048 116.8242 59.3171 28.5621 179.4422 59 R 3.9583 7.6360 117.5124 59.1368 30.1324 178.7974 60 L 4.3137 7.5418 118.2673 57.7715 41.7540 179.0560 61 Q 4.1708 8.2074 119.4093 58.8232 28.8738 179.2273 62 A 4.4336 7.5586 120.3930 50.7961 18.8920 176.8816 63 E 4.4864 8.6878 120.3758 56.3287 33.6481 175.6888 64 A 4.2790 8.1674 124.0723 51.5523 21.8507 176.5526 *71 S 4.9936 8.5091 116.9914 58.1510 65.3934 175.8451 72 Q 3.9337 8.3263 120.7393 59.6772 28.3826 178.4717 73 Y 4.0214 8.0243 116.7717 61.1471 37.8645 178.6192 74 Q 4.0863 8.0513 118.6703 58.7773 28.9050 178.1951 75 E 3.9224 8.5023 120.6846 59.2265 29.8941 178.6312 76 L 3.9244 8.1686 120.3015 57.7942 42.0811 178.8285 77 A 4.1439 8.2120 121.1964 55.2629 18.2923 179.7677 78 S 4.1408 7.9493 112.4623 61.6388 63.0934 176.8524 79 K 3.9761 8.1645 121.9849 59.3173 31.6038 178.8821 80 Y 4.1694 7.8548 116.7610 60.8150 37.9047 177.8388 81 E 4.0088 8.2844 119.7647 59.2684 29.4775 179.2211 82 D 4.2854 8.0134 118.6511 57.4205 41.0287 178.3771 83 A 4.0354 7.8482 120.9413 55.5291 18.2976 179.7374 84 L 4.1048 8.4251 117.5138 57.7054 41.5141 179.8295 85 K 4.0977 7.9987 118.5682 59.2241 31.9477 179.6249 86 K 3.9997 8.1561 118.8188 59.4988 32.1339 179.0034 87 L 3.9992 8.1086 120.6252 58.4064 41.8817 178.7020 88 E 3.8272 8.6116 118.9702 59.0906 29.4860 178.6845 89 A 3.9910 7.7626 121.0894 54.9000 18.3634 179.0363 90 E 3.8578 8.2804 117.8564 59.9814 29.7501 179.1038 91 M 4.2313 8.1024 118.4394 58.3972 32.0522 178.7402 92 E 3.9427 8.1646 118.8566 59.2923 29.5339 178.9671 93 Q 3.9711 8.3833 119.9976 59.4734 28.9789 178.5586 94 Q 4.0000 8.4726 119.3499 58.8929 28.6594 178.9081 95 K 3.9993 8.2473 119.3079 59.1241 32.0270 179.2946 96 A 4.0514 7.8532 121.1166 54.7920 18.2881 179.8892 97 V 3.5127 7.5705 117.0156 66.1844 31.6190 178.3198 98 I 3.7620 7.5789 119.0369 64.5671 37.0768 178.3458 99 S 4.1101 8.4580 114.2935 61.5867 62.1690 175.9773 100 D 4.4072 8.6593 121.9588 57.3025 40.4693 178.5494 101 F 4.3299 8.4496 121.2744 61.3052 39.3934 177.1234 102 E 3.7461 8.5040 118.4385 59.0245 28.8754 179.4878 103 K 3.9020 7.8684 118.0480 59.6952 32.2253 179.3741 104 I 3.5598 7.6614 119.9594 64.4554 36.9853 178.3396 105 Q 3.9194 8.0235 120.4369 58.9877 28.6378 177.8730 106 A 4.1241 8.0581 121.0251 54.5261 18.2434 177.9394 107 L 4.1831 7.2995 116.9265 55.6349 42.3212 178.3585 108 R 3.7192 8.0477 121.3031 59.2391 30.3720 177.6626 109 A 4.2799 7.6225 118.8993 53.6995 19.6552 178.8922 110 G 3.5393 7.4522 104.8777 48.6686 0.0000 173.5137 111 N 4.3444 8.1923 121.0493 53.3765 37.9133 175.2025 112 L 4.3189 8.0754 122.2167 54.8413 42.8336 176.8060 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 4 A 8.12 4.21 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 5 A 7.33 3.90 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 6 S 8.05 3.99 0.00 3.88 3.92 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 0.00 0.00 0.00 0.00 7 L 7.88 3.93 0.00 1.75 1.66 0.91 0.89 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 8 V 7.76 3.67 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 0.95 0.00 0.00 0.93 0.00 0.00 9 G 7.58 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 10 E 8.70 3.92 0.00 1.99 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 2.31 2.36 0.00 11 L 8.10 3.95 0.00 1.89 1.70 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.76 4.09 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.73 0.00 13 A 8.12 4.01 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 14 L 8.69 4.03 0.00 1.66 1.73 0.91 1.19 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 15 D 7.91 4.31 0.00 2.89 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 16 A 7.99 3.99 1.40 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 0.00 0.00 17 E 8.16 3.87 0.00 2.10 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 0.00 2.37 2.37 0.00 18 Y 8.24 4.08 0.00 3.12 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 19 Q 8.46 3.92 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 20 N 8.34 4.29 0.00 2.75 2.93 0.00 0.00 6.90 6.18 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 21 L 8.24 3.87 0.00 1.86 1.72 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.01 3.77 1.07 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 0.00 0.00 0.00 0.00 0.00 23 N 8.03 4.26 0.00 2.89 2.86 0.00 0.00 7.06 7.91 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 24 Q 8.35 4.02 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 25 E 8.13 3.96 0.00 2.24 2.33 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 2.22 2.53 0.00 26 E 8.24 4.00 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 2.37 2.37 0.00 27 A 8.12 4.09 1.40 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 0.00 0.00 28 R 8.21 3.84 0.00 2.14 2.02 0.00 3.31 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 29 F 8.48 4.47 0.00 3.17 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 30 N 8.21 4.20 0.00 2.95 2.83 0.00 0.00 6.63 8.73 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 31 E 8.31 3.85 0.00 2.12 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 2.29 2.37 0.00 32 E 8.33 3.84 0.00 2.20 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 2.33 2.51 0.00 33 R 7.36 2.00 0.00 1.37 1.68 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 34 A 7.93 3.82 1.25 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 35 Q 7.80 3.86 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.58 0.00 36 A 7.42 3.93 1.05 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 37 D 8.09 4.20 0.00 2.74 2.67 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 38 A 8.04 3.96 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 39 A 7.82 3.90 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 40 R 8.24 3.88 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 41 Q 8.19 3.91 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 42 A 8.09 3.96 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 43 L 8.54 4.13 0.00 1.75 1.91 0.88 0.66 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 44 A 8.04 3.99 1.40 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 0.00 0.00 45 Q 7.94 3.97 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 46 N 8.37 4.44 0.00 2.91 2.89 0.00 0.00 7.00 7.19 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 47 E 8.37 3.95 0.00 2.18 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 2.40 2.45 0.00 48 Q 7.85 4.00 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 49 V 7.79 3.69 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 0.99 0.00 0.00 1.05 0.00 0.00 50 Y 8.80 4.02 0.00 3.07 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 51 N 8.30 4.43 0.00 2.84 2.88 0.00 0.00 6.58 7.00 0.00 0.00 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 E 7.93 3.92 0.00 1.94 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 2.32 2.46 0.00 53 L 7.96 3.72 0.00 1.95 1.54 0.88 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 54 S 8.37 3.83 0.00 3.73 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 55 Q 7.90 3.93 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 56 R 7.99 3.76 0.00 1.69 1.61 0.00 2.65 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 1.34 1.53 0.00 57 A 7.91 3.93 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 58 Q 8.20 3.92 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 59 R 7.64 3.96 0.00 1.80 1.99 0.00 3.15 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 60 L 7.54 4.31 0.00 1.82 1.89 1.08 1.15 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 61 Q 8.21 4.17 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.13 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 62 A 7.56 4.43 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 63 E 8.69 4.49 0.00 1.46 1.40 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 2.04 2.25 0.00 64 A 8.17 4.28 1.19 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 0.00 0.00 *71 S 8.51 4.99 0.00 4.11 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 0.00 72 Q 8.33 3.93 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 73 Y 8.02 4.02 0.00 3.07 3.24 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 74 Q 8.05 4.09 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 75 E 8.50 3.92 0.00 2.02 1.91 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 2.28 2.30 0.00 76 L 8.17 3.92 0.00 1.81 1.66 0.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.21 4.14 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.95 4.14 0.00 4.06 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 0.00 79 K 8.16 3.98 0.00 1.87 1.71 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.58 7.81 80 Y 7.85 4.17 0.00 3.31 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 81 E 8.28 4.01 0.00 2.20 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 2.58 2.52 0.00 82 D 8.01 4.29 0.00 2.77 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 83 A 7.85 4.04 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 84 L 8.43 4.10 0.00 1.86 1.70 0.71 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.00 4.10 0.00 2.04 1.90 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.79 1.66 7.81 86 K 8.16 4.00 0.00 2.01 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 87 L 8.11 4.00 0.00 1.95 2.02 0.98 0.93 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 88 E 8.61 3.83 0.00 2.31 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 0.00 2.29 2.21 0.00 89 A 7.76 3.99 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 90 E 8.28 3.86 0.00 2.07 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 2.42 2.36 0.00 91 M 8.10 4.23 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 92 E 8.16 3.94 0.00 2.08 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 2.60 2.44 0.00 93 Q 8.38 3.97 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 94 Q 8.47 4.00 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 95 K 8.25 4.00 0.00 1.95 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.72 7.81 96 A 7.85 4.05 1.40 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 0.00 0.00 97 V 7.57 3.51 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 0.99 0.00 0.00 0.96 0.00 0.00 98 I 7.58 3.76 2.03 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 1.42 0.52 0.96 0.00 0.00 99 S 8.46 4.11 0.00 3.93 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 0.00 100 D 8.66 4.41 0.00 2.91 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 0.00 101 F 8.45 4.33 0.00 3.06 3.20 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 0.00 102 E 8.50 3.75 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 2.35 2.67 0.00 103 K 7.87 3.90 0.00 2.01 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.77 7.81 104 I 7.66 3.56 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.90 1.09 0.00 0.00 105 Q 8.02 3.92 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 106 A 8.06 4.12 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 0.00 107 L 7.30 4.18 0.00 1.88 1.59 0.92 0.68 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 0.00 108 R 8.05 3.72 0.00 1.57 1.70 0.00 2.79 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.32 0.00 109 A 7.62 4.28 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.45 3.54 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 0.00 0.00 0.00 111 N 8.19 4.34 0.00 2.65 2.81 0.00 0.00 6.87 7.42 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 0.00 112 L 8.08 4.32 0.00 1.55 1.47 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.