NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7962 8.1633 120.2799 55.2522 34.2504 173.9943 2 K 4.6041 9.0679 121.6626 53.6967 37.0453 173.6794 3 K 4.6655 10.2396 127.9685 55.7402 34.0525 175.1463 4 I 4.7135 8.8798 130.0443 60.1874 38.6850 174.4528 5 E 5.1361 9.5303 129.2039 54.3084 32.0292 174.5122 6 A 5.0500 8.9686 128.0535 50.1624 23.2430 174.5835 7 I 4.7676 8.3859 121.8256 59.9120 39.7198 175.3185 8 V 5.0171 8.5643 120.2068 57.9875 35.9788 175.5560 9 R 4.2694 8.4116 119.6999 56.0502 30.4774 178.2651 10 A 4.1168 8.5294 123.2514 55.1721 18.4564 179.7161 11 E 4.1223 8.1518 116.1830 58.8986 30.0124 178.5308 12 K 4.2596 7.8562 117.0782 57.3875 32.5298 178.3778 13 F 4.1272 8.3054 121.9463 61.1633 39.3880 175.0011 14 P 3.9550 0.0000 0.0000 65.8506 30.9546 178.3863 15 E 3.9042 7.9236 116.5651 59.0462 29.4840 178.8825 16 V 3.8628 7.4065 119.6775 65.1965 31.5006 177.7855 17 K 3.6410 7.4082 118.6084 59.5388 32.0931 178.2892 18 A 3.9265 7.6465 120.1337 55.2776 17.7248 179.3790 19 A 3.9358 8.2820 119.4232 55.3392 18.3356 179.9164 20 L 4.2715 7.7376 117.1217 57.9146 41.6640 179.5199 21 E 3.3155 8.2605 118.8542 58.9282 29.1154 179.1888 22 E 3.9243 7.8668 116.3202 59.1644 29.7580 177.8594 23 R 4.1236 7.3554 116.6695 55.7447 29.9664 177.3921 24 G 3.6458 7.4420 106.3354 45.5012 0.0000 175.3043 25 F 4.5443 7.3460 119.9838 56.3520 37.2679 174.6786 26 Y 4.5539 7.5423 121.4306 56.9434 39.9171 175.9297 27 G 4.1800 9.1015 109.0144 45.4197 0.0000 173.5359 28 M 4.6628 7.8426 116.2412 55.0385 32.7716 175.5480 29 T 4.6849 9.2027 117.9105 61.8434 71.4852 173.2443 30 V 4.7668 8.4307 125.5511 61.3660 33.9285 174.6853 31 T 4.6821 8.6934 123.8484 61.6946 72.1676 172.9044 32 D 4.8131 8.6522 125.6175 54.3743 41.9946 175.9149 33 V 4.6106 8.4336 114.7448 59.8483 36.8728 173.9134 34 K 5.0693 8.6822 119.6699 54.9616 35.0108 176.2223 35 G 4.1446 9.0868 113.2637 44.8255 0.0000 173.8180 *36 R 4.2391 8.3415 114.4430 55.6345 31.0885 174.9500 37 G 4.2977 8.2196 105.5904 46.9017 0.0000 173.0185 38 Q 3.8492 7.9387 124.6717 51.6397 31.7531 177.3947 39 Q 4.2325 8.4635 118.7881 55.0355 29.5831 171.5956 40 G 3.5876 8.7522 120.3509 48.9884 0.0000 171.0018 41 G 3.9182 8.5970 113.9926 44.2014 0.0000 171.7587 *51 M 4.2199 8.1862 119.2817 54.7284 32.4147 173.9928 52 E 4.2769 8.3500 119.0193 54.7365 30.6347 176.0819 53 V 3.6046 8.1703 124.8331 61.9023 31.3277 175.5593 54 T 4.1664 8.3478 121.3544 61.3580 68.1757 173.4572 55 L 4.7210 8.5483 129.6652 54.7013 42.5309 176.4786 56 L 4.9145 8.5799 122.4772 51.9398 45.7607 174.1548 57 P 4.7883 0.0000 0.0000 62.9464 32.1635 175.7896 58 K 4.7554 9.2154 123.2420 54.5891 37.1785 174.7476 59 V 4.5065 8.6297 120.4208 61.1111 34.1640 174.0084 60 K 5.0154 9.0641 130.1654 54.7607 34.0007 174.5583 61 L 5.1583 8.9046 128.6256 54.0640 43.2184 175.2135 62 E 5.0920 9.5969 122.1671 54.6111 32.6565 174.7911 63 I 4.6597 8.5946 125.2003 59.1556 41.2411 174.0775 64 V 4.7412 8.5740 130.0173 61.8835 32.3151 174.9957 65 V 4.6753 8.4120 120.6090 58.8182 35.7808 175.6949 66 K 4.3971 8.5643 120.4696 56.5197 32.6573 178.2113 67 D 4.4082 8.7960 121.2560 57.5810 40.9837 178.9658 68 D 4.3407 8.1205 117.1144 56.0198 39.7020 177.8137 69 A 4.2518 7.8578 121.1391 53.7771 18.4248 179.3744 70 V 3.4296 7.4060 117.6382 66.5525 31.5155 178.0871 71 E 3.9603 8.0780 117.4139 59.0674 29.4024 178.7469 72 E 3.8936 8.0807 118.9252 59.5008 29.7924 179.1829 73 V 3.3635 7.7132 112.5257 64.2207 31.4883 178.6093 74 I 3.7017 7.7213 119.6242 64.3341 37.0904 178.4097 75 G 3.7348 7.9486 106.4274 47.9712 0.0000 175.5375 76 L 3.9819 7.7580 121.2045 57.4630 41.7003 179.6583 77 I 3.6523 7.7921 119.6059 64.5124 36.9591 178.6504 78 V 3.6389 8.2667 113.4806 64.6822 31.1902 178.2973 79 N 4.3106 7.7824 114.8713 56.7050 39.3311 176.8293 80 S 4.3046 8.3183 114.9075 60.1998 63.1435 175.2047 81 A 4.5166 7.8585 122.4492 51.3620 20.0181 176.9282 82 F 4.4839 7.5198 120.1630 58.4229 39.9839 174.9863 83 T 3.9929 8.2179 114.3516 60.1719 70.4944 174.9920 84 G 3.7908 7.5053 109.6281 45.0052 0.0000 173.6076 85 S 4.5596 7.1933 115.6931 56.3072 64.1846 171.9463 86 P 4.2826 0.0000 0.0000 64.7084 31.4262 176.6785 87 G 4.1068 8.9672 110.1307 45.6168 0.0000 175.1192 88 D 4.1576 7.7170 121.8856 55.5380 40.9306 176.1887 89 G 4.2944 7.4420 100.0437 45.1984 0.0000 172.1503 90 K 4.6061 8.1072 115.8122 54.4393 36.5326 175.6157 91 I 4.6282 7.8219 121.6904 59.4752 40.0413 175.1277 92 F 5.0940 9.3158 124.7617 55.7984 42.6122 174.2345 93 I 4.7885 8.6628 123.9823 60.0630 38.3466 174.8145 94 I 4.6368 8.7908 129.4176 58.2836 39.6852 173.8380 95 P 4.5187 0.0000 0.0000 62.9748 31.9688 175.8627 96 V 4.2825 7.9120 123.9742 61.0873 32.2155 175.3984 97 E 4.0923 9.0774 128.5243 58.8807 29.7463 176.6104 98 D 4.5065 7.1548 114.6564 53.5162 44.2816 175.1119 99 V 4.4391 8.0167 122.7136 60.9885 34.8038 174.1173 100 V 4.6324 8.3739 127.3186 60.9285 33.6098 174.9879 101 R 4.1219 8.4437 130.1600 55.7824 30.1242 176.8042 102 I 3.6562 8.6537 127.0624 64.6852 37.3999 177.2484 103 R 4.0472 8.2390 118.5936 59.2477 29.8933 176.8532 104 T 4.2101 8.1206 105.1956 61.8844 69.9693 175.7174 105 G 3.9459 8.6192 109.4048 44.4940 0.0000 173.1449 106 E 4.2423 7.7071 118.0698 56.1046 30.3638 175.6648 107 R 5.4559 7.3922 116.9495 54.1685 34.4609 175.0522 108 G 3.8576 7.9806 105.3063 44.7749 0.0000 173.5987 109 D 4.3200 8.5871 117.1631 57.5792 41.2365 177.8701 110 D 4.4977 8.2106 118.8441 57.3683 40.9594 178.3886 111 S 4.3198 7.6373 108.8986 59.2307 62.6533 174.2433 112 L 4.3611 7.8259 126.8278 55.2469 41.6782 176.1283 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 M 8.16 4.80 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.61 0.00 2 K 9.07 4.60 0.00 1.60 1.63 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.59 7.81 3 K 10.24 4.67 0.00 1.81 1.71 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 4 I 8.88 4.71 1.82 0.00 0.00 0.83 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 0.61 0.86 0.00 0.00 5 E 9.53 5.14 0.00 2.06 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 2.30 2.28 0.00 6 A 8.97 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.39 4.77 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.93 0.00 0.00 8 V 8.56 5.02 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 0.93 0.00 0.00 1.07 0.00 0.00 9 R 8.41 4.27 0.00 1.89 2.18 0.00 3.10 0.00 0.00 3.50 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 10 A 8.53 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 11 E 8.15 4.12 0.00 1.94 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 2.31 2.47 0.00 12 K 7.86 4.26 0.00 1.79 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.41 7.81 13 F 8.31 4.13 0.00 3.16 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 14 P 0.00 3.95 0.00 2.15 2.07 0.00 3.86 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 15 E 7.92 3.90 0.00 2.11 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 2.37 2.32 0.00 16 V 7.41 3.86 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 1.38 0.00 0.00 1.02 0.00 0.00 17 K 7.41 3.64 0.00 1.02 1.37 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.42 7.81 18 A 7.65 3.93 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 19 A 8.28 3.94 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 20 L 7.74 4.27 0.00 1.78 1.95 0.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.26 3.32 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 2.43 2.25 0.00 22 E 7.87 3.92 0.00 2.09 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 2.57 2.25 0.00 23 R 7.36 4.12 0.00 2.05 2.00 0.00 3.25 0.00 0.00 3.45 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 24 G 7.44 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 0.00 0.00 0.00 25 F 7.35 4.54 0.00 3.08 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 26 Y 7.54 4.55 0.00 2.99 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 27 G 9.10 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.84 4.66 0.00 2.12 2.16 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 2.69 2.69 0.00 29 T 9.20 4.68 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 30 V 8.43 4.77 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 0.27 0.00 0.00 0.99 0.00 0.00 31 T 8.69 4.68 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 1.19 0.00 0.00 32 D 8.65 4.81 0.00 2.53 2.56 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 33 V 8.43 4.61 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 0.76 0.00 0.00 0.98 0.00 0.00 34 K 8.68 5.07 0.00 1.56 1.67 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.49 7.81 35 G 9.09 4.14 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 *36 R 8.34 4.24 0.00 1.59 1.76 0.00 3.23 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 1.45 1.70 0.00 37 G 8.22 4.30 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 0.00 0.00 0.00 38 Q 7.94 3.85 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 39 Q 8.46 4.23 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.96 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 40 G 8.75 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.60 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 0.00 0.00 0.00 *51 M 8.19 4.22 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 52 E 8.35 4.28 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 2.25 2.28 0.00 53 V 8.17 3.60 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 0.74 0.00 0.00 0.93 0.00 0.00 54 T 8.35 4.17 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 55 L 8.55 4.72 0.00 1.57 1.59 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.58 4.91 0.00 1.57 1.51 0.93 0.75 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 57 P 0.00 4.79 0.00 1.93 1.99 0.00 3.61 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 2.02 2.11 0.00 58 K 9.22 4.76 0.00 1.60 1.84 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.49 7.81 59 V 8.63 4.51 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 0.40 0.00 0.00 0.79 0.00 0.00 60 K 9.06 5.02 0.00 1.82 1.75 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 61 L 8.90 5.16 0.00 1.79 1.87 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.60 5.09 0.00 2.00 1.90 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 2.23 2.23 0.00 63 I 8.59 4.66 1.90 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 1.11 1.53 0.85 0.00 0.00 64 V 8.57 4.74 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 0.87 0.00 0.00 0.95 0.00 0.00 65 V 8.41 4.68 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 0.59 0.00 0.00 0.82 0.00 0.00 66 K 8.56 4.40 0.00 1.98 1.82 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.58 7.81 67 D 8.80 4.41 0.00 2.79 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 68 D 8.12 4.34 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 4.25 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 3.43 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 0.99 0.00 0.00 0.97 0.00 0.00 71 E 8.08 3.96 0.00 2.00 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 2.38 2.30 0.00 72 E 8.08 3.89 0.00 2.08 2.19 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 2.55 2.49 0.00 73 V 7.71 3.36 1.76 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 -0.06 0.00 0.00 0.72 0.00 0.00 74 I 7.72 3.70 1.82 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 1.40 0.73 0.87 0.00 0.00 75 G 7.95 3.73 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 0.00 0.00 0.00 76 L 7.76 3.98 0.00 1.90 1.71 1.07 0.86 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 77 I 7.79 3.65 1.83 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 1.50 0.81 0.90 0.00 0.00 78 V 8.27 3.64 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 1.03 0.00 0.00 0.99 0.00 0.00 79 N 7.78 4.31 0.00 2.80 2.96 0.00 0.00 7.33 7.41 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 80 S 8.32 4.30 0.00 4.05 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 0.00 81 A 7.86 4.52 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 82 F 7.52 4.48 0.00 3.06 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 83 T 8.22 3.99 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 1.09 0.00 0.00 84 G 7.51 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 0.00 0.00 0.00 85 S 7.19 4.56 0.00 3.77 3.73 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 86 P 0.00 4.28 0.00 2.02 2.00 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 2.02 2.09 0.00 87 G 8.97 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.72 4.16 0.00 2.84 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 89 G 7.44 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 0.00 0.00 0.00 0.00 90 K 8.11 4.61 0.00 1.33 1.15 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.38 7.81 91 I 7.82 4.63 1.73 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 1.21 0.47 0.83 0.00 0.00 92 F 9.32 5.09 0.00 2.94 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 93 I 8.66 4.79 1.90 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 1.37 0.84 0.92 0.00 0.00 94 I 8.79 4.64 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.92 0.00 0.00 95 P 0.00 4.52 0.00 2.07 2.07 0.00 3.71 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 1.97 0.00 96 V 7.91 4.28 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 0.84 0.00 0.00 0.98 0.00 0.00 97 E 9.08 4.09 0.00 2.00 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 2.32 2.30 0.00 98 D 7.15 4.51 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.02 4.44 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 0.95 0.00 0.00 0.95 0.00 0.00 100 V 8.37 4.63 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 0.00 101 R 8.44 4.12 0.00 1.85 1.82 0.00 3.17 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 102 I 8.65 3.66 1.88 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 1.31 0.66 0.92 0.00 0.00 103 R 8.24 4.05 0.00 1.77 1.99 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 104 T 8.12 4.21 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 1.21 0.00 0.00 105 G 8.62 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 0.00 106 E 7.71 4.24 0.00 2.15 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 2.30 2.29 0.00 107 R 7.39 5.46 0.00 1.76 2.01 0.00 3.27 0.00 0.00 3.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 108 G 7.98 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 0.00 109 D 8.59 4.32 0.00 2.70 2.77 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 0.00 110 D 8.21 4.50 0.00 2.72 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 0.00 111 S 7.64 4.32 0.00 4.09 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 0.00 112 L 7.83 4.36 0.00 1.81 1.65 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.