NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7737 8.4444 120.3950 56.4424 31.0075 172.1756 2 M 4.2510 7.9157 120.5342 53.9280 33.8163 172.6303 3 S 4.3162 8.2635 123.3811 59.4898 64.8198 173.9912 4 N 4.8966 7.2571 115.2837 50.8856 40.1503 173.9670 5 F 4.7837 8.6461 118.5406 56.6470 39.9720 175.5923 6 T 4.0560 8.0485 116.6923 66.0438 68.4491 174.7744 7 G 3.9299 9.5626 116.0870 44.5938 0.0000 172.8247 8 L 4.0372 8.3800 123.7882 55.2224 43.2494 176.2472 9 K 4.8678 8.8453 126.6586 56.0654 32.7067 176.2145 10 V 5.0882 8.7795 118.3078 59.2426 36.0933 174.6686 11 L 5.2751 9.1163 124.3719 53.2795 45.4637 175.1807 12 V 4.9012 8.8973 125.2931 61.2686 34.5308 173.6626 13 M 5.0865 9.0917 128.2193 54.0675 34.7714 173.8999 14 D 4.8861 8.8788 128.1815 53.8067 44.6712 176.8549 15 E 4.2547 8.9730 121.5227 57.7183 30.3735 174.2298 16 N 4.8041 9.3894 118.1646 52.8351 40.3090 175.8851 17 G 3.5601 8.6026 114.8177 47.8629 0.0000 175.8082 18 V 3.5434 7.6531 120.4385 65.6798 31.6187 177.8313 19 S 4.0187 7.9689 112.3642 61.3942 62.3066 175.8550 20 R 3.8183 8.2989 121.7663 59.5369 29.8021 178.1096 21 M 3.9687 8.5412 118.2885 58.6031 32.2733 178.3186 22 V 3.5352 8.3015 118.5689 66.3563 31.7691 177.9568 23 T 3.7252 7.9832 115.5645 66.5389 68.1911 176.3998 24 K 3.9335 8.1761 121.5275 59.3797 32.3121 178.9217 25 G 3.6345 8.1566 105.9719 47.8698 0.0000 175.6441 26 L 4.0087 7.8679 121.4803 57.5496 41.5881 179.6611 27 L 3.9440 7.7463 118.8540 57.7298 41.6075 179.7897 28 V 3.7736 8.1433 118.6440 66.1056 31.2119 177.5749 29 H 4.2848 7.9416 117.0212 58.5364 29.9493 176.3667 30 L 4.3871 7.7012 119.5554 54.9964 41.6205 177.9662 31 G 4.2226 7.9481 108.0617 45.2921 0.0000 172.9553 32 C 4.8700 8.0973 116.7951 59.0139 29.7815 173.8215 33 E 4.4273 9.2784 122.2991 55.2934 29.9816 174.8717 34 V 4.7749 8.2270 124.9036 61.6702 33.0178 174.9487 35 T 4.8674 8.7006 124.6803 61.9754 71.1712 173.5038 36 T 5.2286 8.4203 114.2888 60.2739 72.1477 173.2753 37 V 4.7681 8.8705 115.2749 59.8112 36.5470 175.5271 38 S 4.9818 9.3152 115.3886 56.3685 63.6838 173.5677 39 S 4.6426 7.5316 114.3090 56.5713 66.7122 174.5981 40 N 4.3623 8.7557 122.8284 57.3015 38.1811 178.0090 41 E 3.9924 8.2450 119.2018 61.3457 29.6757 180.5601 42 E 4.2074 8.1019 119.6930 59.2202 29.6344 178.4293 43 C 4.1207 8.1181 118.7868 62.5658 31.3922 175.6316 44 L 4.0268 7.9702 119.5989 57.5106 41.2109 179.0856 45 R 4.2125 7.5010 115.8147 58.3213 30.3867 178.5983 46 V 4.0039 7.7103 117.7325 64.1471 31.7159 176.6102 47 V 3.7954 7.6965 119.0951 62.1411 31.2772 175.2235 48 S 4.9969 8.7074 118.3487 55.8458 66.1467 174.3405 49 H 4.3560 8.9386 115.5270 58.4715 28.2360 176.4857 50 E 3.9713 7.4895 119.7933 59.5966 29.2932 177.1702 51 H 4.6311 7.8708 116.9885 55.7619 28.6398 175.5320 52 K 4.2325 9.4135 126.0728 58.4391 33.3762 177.4283 53 V 4.7430 7.5529 118.8167 61.0931 35.5558 173.6666 54 V 4.7608 8.7136 127.0266 61.1909 34.1818 174.0197 55 F 5.1149 9.4188 128.3556 56.3786 40.5510 174.9621 56 M 5.2546 9.2548 121.4476 53.3034 34.4943 174.1788 57 D 4.9287 8.5367 121.4214 53.6000 42.3248 176.4381 58 V 4.4118 8.2068 119.7427 61.4184 32.2552 176.3898 59 C 4.3538 8.3396 116.9958 60.6861 28.4831 174.5261 60 M 4.2863 7.4204 118.9746 54.0710 31.1698 174.5743 61 P 4.3897 0.0000 0.0000 63.7588 32.9163 177.1949 62 G 3.8799 8.4849 107.0561 47.2341 0.0000 175.0030 63 V 4.4970 8.0290 116.9641 61.1176 32.1870 177.2442 64 E 3.9690 7.8581 123.3815 59.8089 29.2683 178.7868 65 N 4.4044 8.0042 112.3659 54.4051 39.2216 175.8372 66 Y 4.1400 7.8618 116.6679 59.6543 38.0880 177.3463 67 Q 4.2081 7.5361 119.2572 59.3502 28.7822 178.9024 68 I 3.6483 7.9377 118.5352 64.2434 37.8794 177.5797 69 A 4.0100 8.2433 121.5755 54.8773 18.1838 179.7069 70 L 4.0743 7.9617 117.1470 58.2438 41.8808 179.6451 71 R 4.0259 8.3297 118.0948 59.4767 29.4148 179.1975 72 I 3.9840 8.0649 119.7450 64.4505 36.8505 178.1546 73 H 4.3785 8.0201 116.6563 58.5882 28.9094 177.2425 74 E 4.1570 8.4053 120.5246 59.3314 29.1481 179.0838 75 K 3.8218 7.6381 117.5290 59.7640 32.4077 178.1947 76 F 4.3019 7.8591 113.0045 58.5698 38.9783 176.7349 77 T 4.2641 7.3335 114.3247 63.5216 68.3440 173.9564 *79 Q 4.1222 7.3302 119.3369 55.6925 30.0461 175.8869 80 R 4.0043 8.5453 118.3588 59.8937 30.1757 177.4032 81 H 4.5018 7.9315 113.1453 55.2581 29.4105 175.4500 82 Q 4.1743 8.6931 121.4929 56.1421 29.1396 177.0860 83 R 3.2272 8.3140 118.4598 54.8771 30.3469 174.6294 84 P 4.3425 0.0000 0.0000 62.4269 32.6422 175.7016 85 L 4.2657 8.3583 120.9143 54.6954 43.0195 175.9982 86 L 4.9330 9.3391 123.3478 52.9693 44.1526 175.5295 87 V 4.7049 8.6953 123.7773 60.9211 34.3658 174.0684 88 A 4.9502 8.7561 129.3922 50.7189 21.2855 175.8464 89 L 5.1782 8.9212 121.9995 53.1436 43.9983 175.9413 90 S 5.0047 9.2035 118.5158 56.6324 67.0378 174.9058 91 G 3.9480 8.8082 107.4041 46.0401 0.0000 172.7838 92 N 5.0059 7.5005 115.4762 52.2133 40.3213 174.2696 93 T 4.6065 8.2032 105.1357 60.2906 70.2562 173.8582 94 D 4.5633 7.9764 123.2977 53.3282 41.0789 176.5139 95 K 3.7685 8.6927 119.0732 60.3829 31.7511 177.4481 96 S 3.9433 7.9128 112.0127 62.4680 62.0865 176.2675 97 T 3.9417 8.1649 119.3969 67.3609 68.5298 176.9169 98 K 3.9049 7.9305 125.1429 60.1019 31.6968 180.4813 99 E 4.1340 8.5005 120.2988 59.3166 29.4758 179.7194 100 K 3.8716 7.6798 117.6981 59.7621 31.9609 179.0510 101 C 4.3634 8.2852 116.9440 63.2307 28.1127 176.1807 102 M 4.0701 8.0483 119.9275 58.7533 31.4636 179.1636 103 S 4.1422 7.9696 113.5839 60.6117 62.9650 175.7837 104 F 4.6592 8.1261 118.3444 56.6579 39.1494 176.5983 105 G 4.0637 7.9362 106.6669 45.3782 0.0000 174.1119 106 L 4.2180 8.2077 120.4926 54.8289 42.0643 176.9308 107 D 4.6310 8.8622 123.2342 56.1817 41.8899 176.3260 108 G 4.3741 7.7638 104.2173 45.1654 0.0000 172.1140 109 V 5.0956 8.1271 118.5853 60.0762 34.4113 174.2314 110 L 4.8209 9.6617 127.7917 53.5413 44.1905 176.1409 111 L 4.8770 8.5245 125.3487 54.2869 41.9538 174.1333 112 K 4.8148 9.0763 123.8286 53.1500 34.1011 175.0313 113 P 4.3959 0.0000 0.0000 62.9130 31.9890 176.4121 114 V 4.2144 7.9423 113.0217 60.7485 33.2228 176.1469 115 S 4.7021 8.6248 115.6446 55.7245 67.4122 174.8783 116 L 3.9727 8.6261 122.8211 58.7321 41.2821 179.1983 117 D 4.4151 8.2502 118.0201 57.8484 40.6877 178.6037 118 N 4.4976 8.1376 116.1301 55.6134 37.3055 177.5119 119 I 3.7856 7.8987 122.7464 64.3701 37.1706 178.1342 120 R 4.2209 8.5382 119.2396 59.5121 29.9300 178.1827 121 D 4.5321 8.0044 117.2181 57.7162 41.1601 178.9214 122 V 3.5703 7.5624 118.1451 66.1770 31.6413 177.8363 123 L 3.9328 8.0525 118.7946 57.8295 41.2220 179.9004 124 S 4.3399 9.0514 115.5478 61.7816 62.6597 176.2701 125 D 4.4118 8.2114 120.2896 57.4893 40.7223 178.5411 126 L 4.1231 8.1311 118.0735 58.0979 41.7786 179.4813 127 L 4.1867 8.1964 117.4755 56.3255 42.0493 177.7029 128 E 4.3017 8.2515 118.0526 54.8085 30.2352 174.8887 129 P 4.3254 0.0000 0.0000 62.9563 31.8785 176.0031 130 R 4.6556 8.3632 122.0465 54.3743 33.1207 174.3750 131 V 4.2742 8.1207 122.7453 61.1221 34.2136 174.9039 132 L 4.2353 8.6181 130.1163 54.5081 40.6536 176.7463 *133 Y 4.3433 8.2192 122.6180 55.5538 38.3528 173.1750 134 E 4.7928 8.7740 115.8035 57.5846 29.8983 177.2727 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 H 8.44 4.77 0.00 3.10 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 7.92 4.25 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 3 S 8.26 4.32 0.00 3.75 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.26 4.90 0.00 2.63 2.59 0.00 0.00 5.81 7.43 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 5 F 8.65 4.78 0.00 3.11 3.10 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 6 T 8.05 4.06 4.23 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 1.21 0.00 0.00 7 G 9.56 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 8 L 8.38 4.04 0.00 2.07 1.68 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.85 4.87 0.00 1.72 1.92 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.42 7.81 10 V 8.78 5.09 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 0.91 0.00 0.00 1.05 0.00 0.00 11 L 9.12 5.28 0.00 1.30 1.33 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.90 4.90 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 0.97 0.00 0.00 0.89 0.00 0.00 13 M 9.09 5.09 0.00 2.02 1.88 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 2.46 2.57 0.00 14 D 8.88 4.89 0.00 2.72 2.42 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 0.00 15 E 8.97 4.25 0.00 2.03 1.85 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 2.23 1.83 0.00 16 N 9.39 4.80 0.00 2.72 2.85 0.00 0.00 6.94 5.77 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 17 G 8.60 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 18 V 7.65 3.54 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 1.01 0.00 0.00 0.92 0.00 0.00 19 S 7.97 4.02 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 20 R 8.30 3.82 0.00 1.98 2.05 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 21 M 8.54 3.97 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 22 V 8.30 3.54 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 0.94 0.00 0.00 0.98 0.00 0.00 23 T 7.98 3.73 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 0.96 0.00 0.00 24 K 8.18 3.93 0.00 1.79 1.93 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.43 7.81 25 G 8.16 3.63 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 0.00 0.00 0.00 26 L 7.87 4.01 0.00 1.74 1.68 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.75 3.94 0.00 1.76 1.63 0.49 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.14 3.77 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 1.00 0.00 0.00 1.00 0.00 0.00 29 H 7.94 4.28 0.00 3.20 3.52 0.00 5.99 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.70 4.39 0.00 1.96 1.97 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.95 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 0.00 0.00 0.00 0.00 32 C 8.10 4.87 0.00 2.89 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 33 E 9.28 4.43 0.00 1.90 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 2.28 2.26 0.00 34 V 8.23 4.77 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 0.77 0.00 0.00 0.91 0.00 0.00 35 T 8.70 4.87 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 1.23 0.00 0.00 36 T 8.42 5.23 4.23 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 1.19 0.00 0.00 37 V 8.87 4.77 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 0.70 0.00 0.00 1.00 0.00 0.00 38 S 9.32 4.98 0.00 3.96 3.99 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 39 S 7.53 4.64 0.00 4.02 3.94 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 40 N 8.76 4.36 0.00 2.76 2.91 0.00 0.00 6.94 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.25 3.99 0.00 1.97 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 2.32 1.95 0.00 42 E 8.10 4.21 0.00 2.06 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 2.31 2.32 0.00 43 C 8.12 4.12 0.00 3.18 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 44 L 7.97 4.03 0.00 1.83 1.74 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.50 4.21 0.00 1.83 1.98 0.00 3.16 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 46 V 7.71 4.00 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 0.90 0.00 0.00 1.02 0.00 0.00 47 V 7.70 3.80 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 1.03 0.00 0.00 1.11 0.00 0.00 48 S 8.71 5.00 0.00 3.84 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 49 H 8.94 4.36 0.00 3.25 3.73 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.49 3.97 0.00 1.62 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 2.04 2.30 0.00 51 H 7.87 4.63 0.00 3.21 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.41 4.23 0.00 1.64 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81 53 V 7.55 4.74 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 0.12 0.00 0.00 0.80 0.00 0.00 54 V 8.71 4.76 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 0.72 0.00 0.00 0.83 0.00 0.00 55 F 9.42 5.11 0.00 2.98 2.92 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 56 M 9.25 5.25 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 57 D 8.54 4.93 0.00 2.81 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 0.00 0.00 0.00 0.00 58 V 8.21 4.41 1.20 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 0.06 0.00 0.00 0.82 0.00 0.00 59 C 8.34 4.35 0.00 3.08 2.95 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 60 M 7.42 4.29 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 61 P 0.00 4.39 0.00 2.22 2.18 0.00 3.81 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 2.08 1.97 0.00 62 G 8.48 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 0.00 0.00 0.00 63 V 8.03 4.50 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 0.48 0.00 0.00 0.92 0.00 0.00 64 E 7.86 3.97 0.00 2.19 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 2.34 2.45 0.00 65 N 8.00 4.40 0.00 2.50 2.76 0.00 0.00 6.88 7.46 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 66 Y 7.86 4.14 0.00 2.30 2.47 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 67 Q 7.54 4.21 0.00 1.93 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 68 I 7.94 3.65 2.06 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 1.57 1.45 0.94 0.00 0.00 69 A 8.24 4.01 1.49 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 0.00 0.00 70 L 7.96 4.07 0.00 2.03 1.82 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.33 4.03 0.00 2.08 2.04 0.00 3.16 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 72 I 8.06 3.98 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.89 0.00 0.00 73 H 8.02 4.38 0.00 3.39 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.41 4.16 0.00 2.20 2.04 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 2.61 2.51 0.00 75 K 7.64 3.82 0.00 1.75 2.14 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.85 1.28 7.81 76 F 7.86 4.30 0.00 3.11 3.29 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 0.00 77 T 7.33 4.26 4.51 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 1.24 0.00 0.00 *79 Q 7.33 4.12 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 80 R 8.55 4.00 0.00 1.71 1.91 0.00 3.16 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 81 H 7.93 4.50 0.00 3.32 3.40 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.69 4.17 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 83 R 8.31 3.23 0.00 1.71 1.95 0.00 3.01 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 84 P 0.00 4.34 0.00 1.88 2.02 0.00 2.54 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 85 L 8.36 4.27 0.00 1.47 1.46 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.34 4.93 0.00 1.47 1.48 0.77 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.70 4.70 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 0.79 0.00 0.00 0.48 0.00 0.00 88 A 8.76 4.95 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 89 L 8.92 5.18 0.00 1.53 1.59 0.93 0.75 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 90 S 9.20 5.00 0.00 3.82 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 91 G 8.81 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 92 N 7.50 5.01 0.00 3.02 2.78 0.00 0.00 6.65 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 93 T 8.20 4.61 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 1.23 0.00 0.00 94 D 7.98 4.56 0.00 2.97 2.90 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 95 K 8.69 3.77 0.00 1.84 1.87 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.52 7.81 96 S 7.91 3.94 0.00 3.88 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 97 T 8.16 3.94 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 1.32 0.00 0.00 98 K 7.93 3.90 0.00 1.79 1.84 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 E 8.50 4.13 0.00 2.17 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 2.33 2.51 0.00 100 K 7.68 3.87 0.00 1.35 0.74 0.00 1.42 0.00 0.00 0.99 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 1.49 7.81 101 C 8.29 4.36 0.00 3.19 3.10 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 0.00 102 M 8.05 4.07 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 103 S 7.97 4.14 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.66 0.00 3.24 3.23 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 0.00 105 G 7.94 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 0.00 106 L 8.21 4.22 0.00 1.85 1.67 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.86 4.63 0.00 2.57 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 0.00 108 G 7.76 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 0.00 0.00 0.00 0.00 109 V 8.13 5.10 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 0.77 0.00 0.00 0.97 0.00 0.00 110 L 9.66 4.82 0.00 1.72 1.63 1.12 0.66 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 0.00 111 L 8.52 4.88 0.00 1.43 1.45 0.92 0.76 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 0.00 112 K 9.08 4.81 0.00 1.58 1.74 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.53 7.81 113 P 0.00 4.40 0.00 2.16 2.04 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 114 V 7.94 4.21 2.04 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 0.80 0.00 0.00 0.87 0.00 0.00 115 S 8.62 4.70 0.00 4.01 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 0.00 116 L 8.63 3.97 0.00 1.74 1.85 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.25 4.42 0.00 2.70 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 0.00 118 N 8.14 4.50 0.00 3.06 3.10 0.00 0.00 7.16 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 0.00 119 I 7.90 3.79 2.02 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.82 0.00 0.00 120 R 8.54 4.22 0.00 2.11 2.20 0.00 3.23 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 121 D 8.00 4.53 0.00 2.83 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 0.00 122 V 7.56 3.57 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 0.82 0.00 0.00 1.05 0.00 0.00 123 L 8.05 3.93 0.00 1.00 0.69 0.23 0.83 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 0.00 124 S 9.05 4.34 0.00 4.19 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 0.00 125 D 8.21 4.41 0.00 2.77 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 0.00 126 L 8.13 4.12 0.00 1.50 1.68 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.20 4.19 0.00 1.77 1.81 1.01 0.91 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 0.00 128 E 8.25 4.30 0.00 2.06 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 2.39 2.48 0.00 129 P 0.00 4.33 0.00 2.05 2.01 0.00 3.64 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 2.04 2.09 0.00 130 R 8.36 4.66 0.00 1.72 1.74 0.00 3.18 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 131 V 8.12 4.27 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 0.90 0.00 0.00 0.94 0.00 0.00 132 L 8.62 4.24 0.00 1.67 1.64 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *133 Y 8.22 4.34 0.00 2.33 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 0.00 0.00 0.00 0.00 134 E 8.77 4.79 0.00 2.04 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 2.10 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.