NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.4829 8.3344 116.7478 57.8818 64.5277 172.9249 20 L 4.6452 8.7868 126.1384 53.3676 42.4269 174.5709 21 S 4.7851 9.4497 121.1775 56.8856 67.2713 172.2400 22 I 4.9690 8.2323 122.0175 60.2308 38.8709 175.4509 23 T 3.9385 8.7384 123.8598 64.2577 68.8858 174.6521 24 T 3.3208 8.6377 124.2492 63.9823 65.3551 170.2316 25 P 4.7532 0.0000 0.0000 62.9775 32.9024 176.3539 26 E 5.0612 7.8790 121.2637 55.9151 32.5349 174.0735 27 E 4.8896 9.1368 125.5384 54.9110 34.7223 173.8853 28 M 5.2366 8.6791 120.6481 53.9111 35.0122 174.6948 29 I 4.5778 8.7678 126.2343 59.6065 40.4992 174.0521 30 E 5.1498 8.8775 126.6627 54.7589 31.1737 175.6045 31 K 4.8017 8.9462 122.4425 54.3963 37.2870 175.6024 32 A 4.7047 8.4529 123.5505 51.1079 19.9715 177.1770 33 K 3.9702 8.8297 122.6460 58.1939 32.4188 176.6399 34 G 4.0584 9.4215 114.3465 45.4585 0.0000 173.4089 35 E 4.3114 7.9403 119.0895 56.2919 31.2135 175.7063 36 T 4.9795 8.2494 110.7283 60.1070 70.9244 173.8408 37 A 4.3187 8.9144 128.3388 51.2060 20.2892 175.4999 38 Y 4.8189 8.6193 124.9219 56.6833 39.6799 175.2061 39 L 4.2838 8.3207 129.4385 52.5691 42.6044 174.3139 40 P 4.3043 0.0000 0.0000 62.4025 32.3846 177.9432 41 C 4.9522 9.5897 124.2477 55.1397 45.0648 171.2228 42 K 5.2759 8.4186 122.5306 54.1478 34.5777 174.9698 43 F 5.5356 8.7524 118.8144 55.3870 42.0222 173.6625 44 T 4.6867 8.7859 116.3533 61.9319 71.4313 173.4272 45 L 4.9308 8.6143 125.2798 53.6023 44.0280 175.8483 46 S 4.8109 9.3026 116.5862 56.0981 64.0610 173.3917 47 P 4.3414 0.0000 0.0000 65.6238 31.0270 177.5180 48 E 4.1246 7.8544 115.6063 58.5382 29.9151 177.7094 49 D 4.9083 7.6266 120.8022 53.9608 38.5507 175.7502 50 Q 4.3694 7.9503 118.2983 55.5899 30.0903 176.2762 51 G 3.8996 7.9788 107.9740 43.8424 0.0000 171.5502 52 P 4.4041 0.0000 0.0000 62.0904 31.9237 175.9172 53 L 4.2633 8.3806 123.5285 55.3975 43.0454 175.9596 54 D 4.7860 9.0763 125.7159 53.1107 43.6721 173.5029 55 I 5.0591 9.1939 126.9501 59.5131 40.9919 174.6924 56 E 5.1354 8.8645 125.5279 55.0388 33.3326 173.7147 57 W 5.2843 9.4864 127.0811 55.2527 31.8491 175.2118 58 L 5.2781 9.1872 122.5620 52.9621 45.9560 175.1347 59 I 4.4174 8.5111 121.1922 59.2640 41.1509 174.6018 60 S 4.9956 9.0603 126.0432 55.9083 64.0944 171.5744 61 P 4.6000 0.0000 0.0000 62.2291 31.5475 176.9222 62 A 4.1211 8.4118 124.8024 55.1544 18.7737 178.8215 63 D 4.4075 8.3702 115.3647 57.3559 40.9463 177.2804 *67 V 3.6669 7.4164 115.6797 64.0089 32.8182 174.6970 68 D 4.2347 8.0407 124.7799 55.4558 38.6196 173.6986 69 Q 4.5397 8.0583 117.9484 53.9168 30.9920 177.4204 70 V 4.1045 8.5126 125.0217 63.5001 31.5831 175.2861 71 I 4.5620 8.6162 120.5673 62.2039 39.7660 175.7034 72 I 4.9737 7.5359 120.0442 59.8166 41.4225 173.3220 73 L 5.5974 9.7480 127.7945 53.2215 46.2074 174.8982 74 Y 5.3833 9.1929 123.2451 56.0529 41.2894 174.4719 75 S 4.8050 8.7100 120.9770 57.2836 67.0246 174.5009 76 G 3.9955 9.0567 109.9179 47.1093 0.0000 173.2102 77 D 4.7433 7.9034 114.0314 53.7176 38.8522 173.9338 78 K 4.4390 7.0420 116.5927 54.4937 35.7741 175.3578 79 I 4.9664 7.9206 122.4650 59.8176 38.9632 174.7577 80 Y 4.7978 9.0472 123.0989 56.4673 40.0456 175.8339 81 D 5.0768 8.7810 122.3996 53.2823 41.0476 176.1498 82 D 4.8957 7.6777 118.5698 53.9773 40.1632 174.8294 83 Y 4.5557 7.9115 116.8811 58.7114 41.1880 175.6110 84 Y 4.6291 7.8973 122.2479 54.9603 39.3204 173.5945 85 P 4.2248 0.0000 0.0000 65.7315 31.6006 178.9051 86 D 4.3539 7.4380 116.0254 56.4383 40.9815 176.8712 87 L 4.5452 7.9787 117.7259 53.6920 42.1841 175.3995 88 K 3.8835 7.5950 120.9126 58.3038 31.8587 176.7163 89 G 4.0018 9.0619 114.1925 45.6604 0.0000 173.0208 90 R 4.6236 8.3804 117.7585 54.8198 32.6232 175.5560 91 V 4.8165 7.5960 119.0494 61.2892 33.5624 174.3832 92 H 4.7557 8.1187 120.5576 54.2543 32.0274 173.0700 93 F 4.7988 8.7623 119.9918 58.2186 38.9117 175.4793 94 T 4.3063 8.7502 113.0984 63.6145 69.6293 175.8133 95 S 4.3646 7.9850 115.8378 57.7135 63.2358 173.4416 96 N 4.4479 8.8604 124.9783 55.8810 37.5919 175.9303 97 D 4.6408 7.6083 123.3795 51.6316 39.9299 175.9517 98 L 4.0496 7.8296 126.2419 57.0897 42.6073 179.0841 99 K 4.1763 7.8843 117.6992 58.6571 32.2007 178.4832 100 S 4.0238 7.4591 112.5480 59.0221 63.3473 173.5925 101 G 2.1384 6.0987 111.1932 45.4528 0.0000 173.0268 102 D 4.8226 7.2917 120.6082 52.1566 41.3748 174.1284 103 A 4.8769 9.2715 125.7827 51.7294 19.8321 177.3475 104 S 4.8020 8.7125 115.2079 59.9978 64.2296 173.5715 105 I 4.7984 7.8570 115.6081 59.0717 41.0286 173.9950 106 N 5.0573 8.7234 121.4891 52.2179 40.7375 174.4287 107 V 4.4042 8.6825 123.4129 61.3904 33.2703 174.9851 108 T 4.4297 8.9128 119.3847 60.1339 70.9932 173.7941 109 N 4.3874 8.3778 117.7357 52.9623 37.4413 174.2813 110 L 4.2794 8.1622 119.2088 55.3814 43.0412 177.1563 111 Q 4.9181 9.1877 118.9607 53.9263 31.7032 176.3910 112 L 4.1035 8.3812 117.6405 57.8192 41.7687 179.7834 113 S 4.2888 7.9862 113.1679 60.7756 62.9266 174.5850 114 D 4.7368 7.9072 118.8191 55.1227 40.9822 176.5216 115 I 4.1213 7.8252 122.5310 60.6219 38.2284 176.0099 116 G 4.2791 7.9582 113.9349 46.7028 0.0000 170.9877 117 T 5.1101 8.0127 116.9955 62.6562 70.3268 173.9584 118 Y 4.9712 9.5262 124.4264 56.3082 40.5996 174.3097 119 Q 4.9705 9.3254 126.4654 54.4007 31.7162 173.0947 120 C 3.9155 8.6881 127.1146 54.4487 43.8846 172.2445 121 K 4.7171 8.6906 126.6234 54.6860 34.3781 175.2167 122 V 4.3815 8.5395 126.3745 60.7931 33.8090 174.4210 123 K 4.8772 8.9652 127.5291 54.6674 35.5076 175.7453 124 K 4.8015 8.9256 125.6028 54.7370 34.2244 174.2936 125 A 4.5148 8.5290 128.4106 51.3209 19.3217 176.1291 126 P 4.4223 0.0000 0.0000 63.4970 32.2174 177.1235 127 G 3.7043 8.0429 110.2036 45.9138 0.0000 172.9213 128 V 4.9063 7.9905 121.8399 61.3514 34.5439 173.5147 129 A 4.8886 9.0089 128.6409 50.4821 22.8924 174.3625 130 N 5.4189 8.5346 116.0636 51.0669 41.1422 173.4861 131 K 4.7712 8.8625 120.3687 54.6531 36.3408 174.8286 132 K 5.0740 8.5904 124.9784 54.6372 35.3255 175.0859 133 I 4.8869 8.9766 125.1044 59.8747 40.6723 174.3694 134 H 5.0526 9.2485 125.6078 54.6813 29.4195 173.9230 135 L 4.8840 8.8391 127.2322 53.8151 43.6054 175.2616 136 V 4.5166 8.9258 126.8540 61.0737 34.1777 174.2261 137 V 4.7945 8.4531 127.3108 61.3797 33.0646 174.5787 138 L 4.7043 8.8630 128.6060 52.9044 44.3112 177.3369 139 V 3.7578 8.1966 119.9477 63.3089 31.5478 175.8920 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 19 S 8.33 4.48 0.00 3.78 3.87 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 20 L 8.79 4.65 0.00 1.94 1.58 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.45 4.79 0.00 3.88 3.89 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 22 I 8.23 4.97 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.92 0.00 0.00 23 T 8.74 3.94 4.27 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 1.23 0.00 0.00 24 T 8.64 3.32 4.37 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 1.27 0.00 0.00 25 P 0.00 4.75 0.00 2.09 2.25 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 26 E 7.88 5.06 0.00 1.90 1.84 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 2.26 2.37 0.00 27 E 9.14 4.89 0.00 1.96 1.78 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 2.24 2.26 0.00 28 M 8.68 5.24 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.56 0.00 29 I 8.77 4.58 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.90 0.00 0.00 30 E 8.88 5.15 0.00 1.85 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 2.25 2.33 0.00 31 K 8.95 4.80 0.00 1.60 1.62 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 32 A 8.45 4.70 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 33 K 8.83 3.97 0.00 1.68 1.75 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.56 7.81 34 G 9.42 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 35 E 7.94 4.31 0.00 2.02 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 2.32 2.40 0.00 36 T 8.25 4.98 4.29 0.00 0.00 0.00 0.00 0.00 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 37 A 8.91 4.32 1.09 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 0.00 0.00 38 Y 8.62 4.82 0.00 2.88 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 39 L 8.32 4.28 0.00 0.96 1.40 0.10 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.30 0.00 1.95 1.99 0.00 3.61 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 2.18 2.06 0.00 41 C 9.59 4.95 0.00 3.20 3.30 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 42 K 8.42 5.28 0.00 1.76 1.64 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.30 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.49 7.81 43 F 8.75 5.54 0.00 3.09 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 44 T 8.79 4.69 4.27 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 1.22 0.00 0.00 45 L 8.61 4.93 0.00 1.58 1.65 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.30 4.81 0.00 3.95 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 47 P 0.00 4.34 0.00 2.22 2.19 0.00 3.83 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 2.00 1.97 0.00 48 E 7.85 4.12 0.00 2.10 2.13 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 2.31 2.28 0.00 49 D 7.63 4.91 0.00 2.86 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 50 Q 7.95 4.37 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 51 G 7.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.20 2.07 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 53 L 8.38 4.26 0.00 1.76 1.82 0.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.08 4.79 0.00 2.95 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 55 I 9.19 5.06 2.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.52 1.12 0.00 0.00 56 E 8.86 5.14 0.00 2.03 1.70 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 2.18 2.28 0.00 57 W 9.49 5.28 0.00 3.30 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 58 L 9.19 5.28 0.00 1.47 1.43 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.51 4.42 1.19 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.64 0.10 0.00 0.00 60 S 9.06 5.00 0.00 3.68 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 61 P 0.00 4.60 0.00 2.08 2.08 0.00 3.48 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 2.05 2.15 0.00 62 A 8.41 4.12 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 63 D 8.37 4.41 0.00 2.70 2.80 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 *67 V 7.42 3.67 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 0.78 0.00 0.00 0.92 0.00 0.00 68 D 8.04 4.23 0.00 2.80 2.61 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 69 Q 8.06 4.54 0.00 1.81 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 70 V 8.51 4.10 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 0.51 0.00 0.00 0.78 0.00 0.00 71 I 8.62 4.56 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.65 0.00 0.00 72 I 7.54 4.97 1.85 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.64 0.00 0.00 73 L 9.75 5.60 0.00 1.94 1.71 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.19 5.38 0.00 2.74 2.69 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 75 S 8.71 4.80 0.00 3.93 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 76 G 9.06 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 77 D 7.90 4.74 0.00 2.77 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 78 K 7.04 4.44 0.00 1.74 1.09 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.47 7.81 79 I 7.92 4.97 1.92 0.00 0.00 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 1.78 0.72 1.19 0.00 0.00 80 Y 9.05 4.80 0.00 3.32 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 81 D 8.78 5.08 0.00 2.76 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 82 D 7.68 4.90 0.00 2.44 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 83 Y 7.91 4.56 0.00 3.13 3.01 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 84 Y 7.90 4.63 0.00 3.23 2.93 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 85 P 0.00 4.22 0.00 2.04 2.02 0.00 3.32 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 86 D 7.44 4.35 0.00 2.32 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 87 L 7.98 4.55 0.00 2.13 1.78 1.03 0.93 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 88 K 7.59 3.88 0.00 1.82 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 89 G 9.06 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 90 R 8.38 4.62 0.00 1.93 1.94 0.00 3.11 0.00 0.00 3.20 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.39 0.00 91 V 7.60 4.82 2.02 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 0.57 0.00 0.00 0.91 0.00 0.00 92 H 8.12 4.76 0.00 3.24 3.31 0.00 5.32 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.76 4.80 0.00 3.06 3.03 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 94 T 8.75 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 1.38 0.00 0.00 95 S 7.99 4.36 0.00 4.10 3.89 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 96 N 8.86 4.45 0.00 2.86 2.94 0.00 0.00 5.97 8.06 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 97 D 7.61 4.64 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.05 0.00 1.47 1.20 -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.88 4.18 0.00 1.93 1.90 0.00 1.74 0.00 0.00 2.07 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.53 7.81 100 S 7.46 4.02 0.00 3.85 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 0.00 101 G 6.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.29 4.82 0.00 2.45 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 0.00 103 A 9.27 4.88 1.55 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 0.00 0.00 104 S 8.71 4.80 0.00 3.97 3.49 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 0.00 105 I 7.86 4.80 1.23 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.20 -0.23 0.00 0.00 106 N 8.72 5.06 0.00 2.26 2.56 0.00 0.00 6.60 7.26 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 0.00 107 V 8.68 4.40 1.84 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 0.93 0.00 0.00 0.52 0.00 0.00 108 T 8.91 4.43 4.25 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 1.25 0.00 0.00 109 N 8.38 4.39 0.00 2.79 2.84 0.00 0.00 7.36 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 0.00 110 L 8.16 4.28 0.00 1.76 1.59 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 9.19 4.92 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 112 L 8.38 4.10 0.00 1.75 1.78 0.93 0.89 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 0.00 113 S 7.99 4.29 0.00 3.90 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 0.00 114 D 7.91 4.74 0.00 2.91 2.85 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 0.00 115 I 7.83 4.12 1.92 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 1.27 1.45 1.01 0.00 0.00 116 G 7.96 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 0.00 0.00 0.00 117 T 8.01 5.11 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 0.00 118 Y 9.53 4.97 0.00 2.95 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 0.00 119 Q 9.33 4.97 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 120 C 8.69 3.92 0.00 1.23 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 0.00 121 K 8.69 4.72 0.00 1.69 1.57 0.00 1.74 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.20 7.81 122 V 8.54 4.38 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 0.00 0.00 0.62 0.00 0.00 123 K 8.97 4.88 0.00 1.70 1.59 0.00 1.78 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.26 7.81 124 K 8.93 4.80 0.00 1.71 1.60 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 125 A 8.53 4.51 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 0.00 126 P 0.00 4.42 0.00 2.18 2.17 0.00 3.88 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 1.98 1.95 0.00 127 G 8.04 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 0.00 128 V 7.99 4.91 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 0.71 0.00 0.00 0.94 0.00 0.00 129 A 9.01 4.89 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 0.00 130 N 8.53 5.42 0.00 2.61 2.63 0.00 0.00 5.76 7.13 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 0.00 131 K 8.86 4.77 0.00 1.71 1.44 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.25 7.81 132 K 8.59 5.07 0.00 1.88 1.57 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.33 7.81 133 I 8.98 4.89 2.03 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 1.28 0.93 0.93 0.00 0.00 134 H 9.25 5.05 0.00 3.11 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.84 4.88 0.00 1.75 1.87 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.93 4.52 2.11 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 0.90 0.00 0.00 0.97 0.00 0.00 137 V 8.45 4.79 2.11 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 0.88 0.00 0.00 1.02 0.00 0.00 138 L 8.86 4.70 0.00 1.60 1.56 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.20 3.76 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 0.75 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.