NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7448 8.2127 109.7356 45.2875 0.0000 172.4727 *28 Q 4.3229 8.2203 120.0152 55.6194 29.8980 174.9414 29 D 4.5981 8.4856 124.5809 53.7139 41.7094 176.4028 30 R 4.1758 8.3421 121.0691 56.3140 30.7850 177.7316 31 S 4.3998 8.9815 117.4057 57.4258 65.1579 173.6977 32 P 4.2459 0.0000 0.0000 66.0401 30.9737 179.0825 33 I 3.7520 7.6624 117.8829 64.2484 37.0504 178.0867 34 E 3.9542 8.2039 119.4195 59.7882 29.2915 179.4834 35 T 3.8321 8.2474 116.0186 66.8604 68.4635 176.4949 36 Q 3.9470 8.1867 121.2847 59.0467 28.9763 177.8803 37 N 4.2740 8.5591 118.1264 56.2334 38.5298 177.4916 38 V 3.5199 7.9512 119.6357 66.0119 31.1250 177.7793 39 E 3.9451 8.2886 118.3633 59.7838 29.0965 179.5484 40 T 3.8387 7.8492 114.5357 66.7210 68.7954 176.5982 41 V 3.3723 7.8099 120.1530 65.8430 31.4885 178.0534 42 L 4.2133 8.3605 118.9033 57.5265 41.3031 179.4982 43 R 4.1691 7.7329 117.3189 59.1222 29.7397 178.4090 44 L 4.2612 7.9742 117.1527 56.2287 41.6968 178.0371 45 F 4.6198 8.0557 116.5106 55.9332 39.8806 174.8757 46 D 4.7653 8.1817 115.5527 54.6866 41.6469 176.7132 47 E 4.1093 9.4916 120.6674 58.7426 30.6899 179.2487 48 G 4.3372 8.4212 107.1253 44.8814 0.0000 173.2999 49 W 4.5540 8.2496 131.1281 56.4875 31.2160 177.5415 50 G 2.0000 6.0841 113.2565 46.3849 0.0000 174.0233 51 A 4.0001 6.1564 120.9077 52.7189 19.3132 176.5801 52 Q 4.6226 8.0546 118.8802 53.5971 30.5287 174.5722 53 D 4.5353 8.7487 125.2578 56.4751 41.0393 176.8931 54 G 3.9561 8.9311 111.7384 44.9395 0.0000 174.9707 55 W 4.5297 7.8954 119.5955 58.9837 27.7955 178.5328 56 R 3.0763 6.6215 118.3505 58.9864 29.4012 178.5805 57 D 4.2801 7.6004 118.0978 57.0004 40.4838 179.0783 58 V 3.8963 7.5360 119.2593 65.2493 32.0353 177.5031 59 W 4.2879 8.7990 119.0367 60.0801 28.7277 178.7805 60 R 4.0475 8.2496 117.0902 58.8629 29.8498 178.3728 61 E 4.2537 8.3747 116.7910 58.1695 29.8777 177.8727 62 T 4.3273 7.3546 115.8060 62.9673 68.9398 173.9956 *64 T 4.4122 7.0002 111.3255 60.6267 70.1646 173.0209 65 P 4.2986 0.0000 0.0000 65.5300 31.4800 178.1794 66 G 4.0044 8.0254 104.6863 45.1654 0.0000 172.9352 67 F 4.4972 7.9702 122.4178 58.9001 40.6208 174.3855 68 R 4.7243 8.0717 123.3337 54.1809 33.5226 174.2923 69 S 4.5832 8.5765 118.7476 56.3778 65.0359 172.6568 70 I 4.5976 8.1748 127.2356 59.4835 40.6762 174.1211 71 F 4.6236 8.7561 130.2640 56.2062 40.6806 175.1989 72 H 2.9079 8.0344 127.4648 57.2488 27.8360 176.3554 73 S 4.5673 8.6490 122.6292 59.0382 63.0709 174.0549 74 N 4.5349 7.9912 119.0939 53.1052 38.8407 174.9830 75 Q 4.0404 8.3921 118.5293 55.8616 29.2630 176.1326 76 A 4.1355 8.3238 121.5712 52.6417 19.2999 176.9984 77 V 3.9525 8.8190 122.2745 61.8319 32.9263 174.4414 78 E 4.6638 8.7950 127.7979 55.7140 31.2928 176.6265 79 G 4.2698 9.0805 111.5401 46.7419 0.0000 174.3786 80 I 4.0131 8.7972 122.7878 64.2232 37.9695 178.4517 81 E 4.0962 8.2434 118.9945 59.4143 29.2289 179.1756 82 Q 4.0345 8.1714 117.4952 58.9820 28.8900 178.5470 83 A 4.2547 8.5881 122.1065 55.1940 18.4259 179.6581 84 I 3.6197 8.6229 118.6529 64.5726 37.2474 178.3656 85 A 4.0110 8.3707 121.7659 55.1787 18.2645 179.4884 86 F 3.9430 8.4342 119.0504 61.4197 39.5083 176.8169 87 N 4.1690 8.5426 116.5100 56.6078 38.7282 176.5223 88 A 4.0860 8.3113 122.2822 55.1776 18.2382 179.7101 89 V 3.4301 7.3577 115.5357 66.0515 31.9036 177.8118 90 L 4.0848 7.3071 118.3512 58.0323 41.3714 179.6357 91 F 4.0029 8.1344 116.7679 59.7484 38.7098 177.4948 92 E 4.0967 8.2750 118.8716 59.1795 29.1543 179.4476 93 G 3.6793 8.1306 105.9563 47.1095 0.0000 173.0600 94 F 5.3633 7.4612 118.8028 54.6566 39.1995 173.6137 95 P 4.6796 0.0000 0.0000 64.2855 31.8701 178.3535 96 R 4.5724 7.8967 116.6179 55.6404 30.3126 175.5544 97 L 4.2987 7.8969 120.8742 56.2870 42.5800 176.2380 98 E 5.0136 9.4369 125.8324 54.7258 32.0117 175.1942 99 V 4.8044 8.0197 122.4637 59.7244 34.0888 174.9400 100 V 4.2314 8.4312 124.0278 60.7040 33.8493 174.7239 101 V 4.0844 8.3739 129.0728 63.0233 31.6853 175.2286 102 E 4.7108 9.2347 123.9490 55.7812 31.1295 175.1295 103 N 4.9194 7.7681 118.6107 52.4943 42.7126 172.8034 104 V 4.8600 8.3709 124.9412 61.3986 34.4587 174.5134 105 T 4.8153 9.0828 124.3592 61.6619 71.8424 173.2747 106 V 4.9565 8.4845 125.1895 59.8371 34.7459 174.9271 107 E 4.6443 8.8627 123.7888 55.1317 32.6709 175.8227 108 G 3.7688 8.8705 118.2671 47.4470 0.0000 173.0525 109 D 4.7624 8.7968 124.7639 53.8443 40.8494 174.2960 110 N 5.5005 8.3269 118.4351 51.5103 41.2367 173.7344 111 V 4.9144 8.8134 123.8830 60.9712 34.7743 174.1703 112 V 4.9539 9.1300 127.9418 61.1292 34.2238 174.0644 113 V 4.7074 9.0377 128.2206 61.3132 33.9072 174.0614 114 Q 5.0983 9.0557 127.2542 54.6403 31.3579 174.7513 115 A 4.9081 8.6205 122.7100 51.0571 23.6941 174.5862 116 R 5.0770 8.9713 116.5775 54.6061 33.7607 175.4113 117 L 5.4131 9.0396 122.9718 53.2420 44.7133 175.6707 118 T 5.5651 8.9458 112.5464 57.9379 72.3303 173.6819 119 G 4.5894 8.2182 111.4392 46.5067 0.0000 170.6793 120 A 5.0140 8.2400 121.4685 50.2156 20.9524 177.9646 121 Q 3.2545 8.5913 124.1406 55.1388 27.2397 175.8023 122 D 4.5357 7.9047 120.3359 54.6647 42.7074 176.0368 123 G 4.9089 8.0288 105.7259 41.8484 0.0000 170.6346 124 P 4.5846 0.0000 0.0000 62.7578 31.8130 176.0242 125 F 4.5673 8.9599 123.0849 57.5785 41.6840 174.3607 126 L 3.3890 9.2972 129.8494 55.7114 38.9837 175.7153 127 G 3.8737 8.3965 104.6554 45.1517 0.0000 173.5900 128 V 4.2432 7.6660 120.7091 60.1272 32.7779 173.7269 129 P 4.6025 0.0000 0.0000 61.4149 31.8804 174.3262 130 P 4.3227 0.0000 0.0000 63.4727 31.3027 176.2060 131 S 4.4503 8.4810 115.9762 57.2688 64.5958 175.5570 132 G 3.9799 8.3428 108.3161 45.2679 0.0000 176.2091 133 Q 4.3518 7.6162 119.3321 55.4313 31.0179 175.9262 *135 V 4.1267 8.3292 115.7449 62.8030 33.7889 175.0667 136 D 4.6562 8.3947 122.4979 53.7244 42.5413 174.3718 137 V 4.7253 8.8133 118.6085 58.5639 36.2813 173.6210 138 P 5.0970 0.0000 0.0000 63.0692 32.8746 174.3488 139 D 4.9746 8.9460 119.7732 52.6501 43.8407 174.1258 140 V 4.9643 8.5833 117.3643 60.8325 35.0034 173.6165 141 T 5.1596 9.2680 121.4938 61.6535 71.6223 172.9499 142 L 5.0536 8.8983 126.5546 53.2254 43.8705 175.8832 143 F 5.2028 9.6584 123.5888 56.1390 41.7940 175.1822 144 T 5.2637 9.0614 118.6341 61.8950 71.3881 173.2967 145 L 5.4108 8.9508 125.2098 53.0444 45.4457 176.0422 146 A 4.5309 8.8711 123.1782 52.1091 22.0197 176.4671 147 D 4.4509 10.0093 123.5113 55.3933 38.5554 174.9745 148 G 3.9787 8.5333 105.2054 45.3901 0.0000 173.6864 149 Q 4.7259 7.8391 118.6088 53.6597 31.4422 174.9272 150 V 4.3086 8.5241 122.2105 62.6989 32.1194 175.7941 151 I 4.5674 8.8655 120.7080 61.8188 39.9754 174.3930 152 E 5.5195 7.8231 121.6668 56.0364 33.1508 173.2826 *154 R 4.4681 8.4175 117.1365 56.3728 31.9047 174.3472 155 Y 5.1727 8.2229 122.6259 55.9778 42.6895 174.0088 156 F 4.3622 8.1573 122.9479 56.1501 43.7920 173.9792 157 T 4.9813 8.1819 116.0361 60.8108 70.6089 173.2015 158 D 4.6771 8.2479 117.7217 52.9066 39.5983 177.0013 159 L 4.1102 7.8754 124.4749 57.2648 42.9897 177.8891 160 L 4.0911 8.0774 119.4755 57.9499 42.4571 177.7672 161 A 4.1304 8.4986 121.6727 55.2932 18.5671 180.0103 162 V 3.9360 7.9361 111.7301 64.4178 31.0518 177.6243 *164 T 4.2498 8.0573 116.4137 63.2498 70.5392 176.1645 165 A 3.9484 8.3169 124.4073 55.0362 18.4703 179.3952 166 I 4.0900 7.8990 107.6910 62.7522 38.1199 176.8365 167 S 4.4611 7.5160 115.0667 58.4265 63.1500 174.2249 168 A 4.1151 7.4035 124.0164 50.9640 18.5379 176.0013 169 P 4.4268 0.0000 0.0000 61.9201 31.9429 174.6804 170 P 4.4056 0.0000 0.0000 63.1508 31.1887 176.5064 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 0 G 8.21 3.74 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 0.00 0.00 0.00 *28 Q 8.22 4.32 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 29 D 8.49 4.60 0.00 2.70 2.58 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 30 R 8.34 4.18 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 31 S 8.98 4.40 0.00 4.04 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 32 P 0.00 4.25 0.00 2.17 2.15 0.00 3.60 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 2.12 2.19 0.00 33 I 7.66 3.75 1.87 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 1.64 0.66 0.92 0.00 0.00 34 E 8.20 3.95 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 35 T 8.25 3.83 4.45 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 3.95 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 37 N 8.56 4.27 0.00 2.99 2.84 0.00 0.00 6.61 7.23 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 38 V 7.95 3.52 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 1.08 0.00 0.00 0.98 0.00 0.00 39 E 8.29 3.95 0.00 2.17 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 2.55 0.00 40 T 7.85 3.84 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 1.18 0.00 0.00 41 V 7.81 3.37 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 0.48 0.00 0.00 0.47 0.00 0.00 42 L 8.36 4.21 0.00 1.78 1.74 0.88 0.65 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 43 R 7.73 4.17 0.00 2.03 2.03 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 44 L 7.97 4.26 0.00 1.50 1.56 0.53 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.06 4.62 0.00 3.13 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 46 D 8.18 4.77 0.00 2.76 2.38 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 47 E 9.49 4.11 0.00 2.24 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 0.00 2.57 2.32 0.00 48 G 8.42 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.25 4.55 0.00 3.27 3.04 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 0.00 0.00 0.00 50 G 6.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.16 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.05 4.62 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.88 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 53 D 8.75 4.54 0.00 2.72 2.63 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 54 G 8.93 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 55 W 7.90 4.53 0.00 3.60 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.62 3.08 0.00 1.23 1.47 0.00 2.51 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 57 D 7.60 4.28 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 3.90 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 1.12 0.00 0.00 1.06 0.00 0.00 59 W 8.80 4.29 0.00 3.55 3.28 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 60 R 8.25 4.05 0.00 1.91 2.00 0.00 3.10 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 61 E 8.37 4.25 0.00 2.21 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 2.49 2.35 0.00 62 T 7.35 4.33 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 1.03 0.00 0.00 *64 T 7.00 4.41 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 1.25 0.00 0.00 65 P 0.00 4.30 0.00 2.24 2.19 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 66 G 8.03 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 67 F 7.97 4.50 0.00 3.24 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 68 R 8.07 4.72 0.00 1.55 1.55 0.00 3.14 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 69 S 8.58 4.58 0.00 3.79 3.55 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 70 I 8.17 4.60 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.81 0.00 0.00 71 F 8.76 4.62 0.00 3.04 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 72 H 8.03 2.91 0.00 3.06 2.58 0.00 5.89 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 73 S 8.65 4.57 0.00 3.99 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 74 N 7.99 4.53 0.00 2.88 2.80 0.00 0.00 6.91 7.24 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 75 Q 8.39 4.04 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 76 A 8.32 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.82 3.95 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 1.04 0.00 0.00 0.47 0.00 0.00 78 E 8.79 4.66 0.00 1.86 1.83 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 2.17 2.20 0.00 79 G 9.08 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 0.00 0.00 0.00 0.00 80 I 8.80 4.01 2.23 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 1.00 0.00 0.00 81 E 8.24 4.10 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 2.43 2.36 0.00 82 Q 8.17 4.03 0.00 2.47 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 83 A 8.59 4.25 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 0.00 0.00 0.00 0.00 0.00 84 I 8.62 3.62 2.11 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 1.44 1.03 0.56 0.00 0.00 85 A 8.37 4.01 1.42 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 0.00 0.00 86 F 8.43 3.94 0.00 3.18 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 87 N 8.54 4.17 0.00 2.88 2.50 0.00 0.00 7.14 7.83 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 88 A 8.31 4.09 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 3.43 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 0.63 0.00 0.00 0.90 0.00 0.00 90 L 7.31 4.08 0.00 1.60 1.49 0.64 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.13 4.00 0.00 2.88 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 92 E 8.27 4.10 0.00 2.14 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 0.00 2.58 2.46 0.00 93 G 8.13 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.46 5.36 0.00 2.82 2.84 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 0.00 0.00 0.00 95 P 0.00 4.68 0.00 2.21 2.22 0.00 3.31 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 96 R 7.90 4.57 0.00 1.89 2.06 0.00 3.28 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 97 L 7.90 4.30 0.00 1.97 1.94 0.76 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 98 E 9.44 5.01 0.00 2.11 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 2.33 2.52 0.00 99 V 8.02 4.80 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 0.00 0.00 -0.82 0.00 0.00 0.80 0.00 0.00 100 V 8.43 4.23 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 0.98 0.00 0.00 0.90 0.00 0.00 101 V 8.37 4.08 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 0.65 0.00 0.00 0.56 0.00 0.00 102 E 9.23 4.71 0.00 1.88 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 0.00 2.14 2.17 0.00 103 N 7.77 4.92 0.00 2.71 2.60 0.00 0.00 6.57 7.71 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 0.00 104 V 8.37 4.86 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 0.85 0.00 0.00 0.83 0.00 0.00 105 T 9.08 4.82 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 1.22 0.00 0.00 106 V 8.48 4.96 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 0.71 0.00 0.00 1.01 0.00 0.00 107 E 8.86 4.64 0.00 1.98 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 0.00 2.20 2.23 0.00 108 G 8.87 3.77 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 0.00 0.00 0.00 109 D 8.80 4.76 0.00 2.74 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 0.00 110 N 8.33 5.50 0.00 2.79 2.76 0.00 0.00 6.42 6.96 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 0.00 111 V 8.81 4.91 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 0.80 0.00 0.00 0.95 0.00 0.00 112 V 9.13 4.95 2.12 0.00 0.00 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 0.00 113 V 9.04 4.71 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 0.34 0.00 0.00 0.96 0.00 0.00 114 Q 9.06 5.10 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.29 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 115 A 8.62 4.91 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 0.00 116 R 8.97 5.08 0.00 1.71 1.79 0.00 3.07 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 117 L 9.04 5.41 0.00 1.53 1.55 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.95 5.57 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 0.00 119 G 8.22 4.59 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 0.00 120 A 8.24 5.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.59 3.25 0.00 1.59 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 1.94 1.54 0.00 122 D 7.90 4.54 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.03 4.91 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 0.00 124 P 0.00 4.58 0.00 2.16 2.05 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 125 F 8.96 4.57 0.00 2.82 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 0.00 126 L 9.30 3.39 0.00 1.46 1.48 0.72 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.40 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 0.00 0.00 0.00 128 V 7.67 4.24 2.28 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 1.08 0.00 0.00 1.02 0.00 0.00 129 P 0.00 4.60 0.00 2.07 1.96 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 130 P 0.00 4.32 0.00 2.12 2.12 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 131 S 8.48 4.45 0.00 3.93 3.98 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 0.00 132 G 8.34 3.98 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 0.00 0.00 0.00 133 Q 7.62 4.35 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.46 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 *135 V 8.33 4.13 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 0.96 0.00 0.00 0.73 0.00 0.00 136 D 8.39 4.66 0.00 2.64 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 0.00 137 V 8.81 4.73 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 0.69 0.00 0.00 0.91 0.00 0.00 138 P 0.00 5.10 0.00 2.06 2.03 0.00 3.75 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 1.97 1.95 0.00 139 D 8.95 4.97 0.00 2.83 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 0.00 140 V 8.58 4.96 2.05 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 0.74 0.00 0.00 0.99 0.00 0.00 141 T 9.27 5.16 4.64 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 142 L 8.90 5.05 0.00 1.45 1.62 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.66 5.20 0.00 3.06 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 0.00 144 T 9.06 5.26 4.32 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 1.26 0.00 0.00 145 L 8.95 5.41 0.00 1.49 1.63 0.96 0.91 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 0.00 146 A 8.87 4.53 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 0.00 147 D 10.01 4.45 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 0.00 148 G 8.53 3.98 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 0.00 0.00 0.00 149 Q 7.84 4.73 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 150 V 8.52 4.31 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 1.03 0.00 0.00 0.81 0.00 0.00 151 I 8.87 4.57 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.98 0.00 0.00 152 E 7.82 5.52 0.00 2.02 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 2.22 2.20 0.00 *154 R 8.42 4.47 0.00 1.81 1.77 0.00 3.14 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 155 Y 8.22 5.17 0.00 3.06 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 0.00 156 F 8.16 4.36 0.00 2.70 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 0.00 157 T 8.18 4.98 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 1.45 0.00 0.00 158 D 8.25 4.68 0.00 2.71 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 0.00 159 L 7.88 4.11 0.00 1.48 1.57 1.24 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.08 4.09 0.00 1.64 1.84 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.50 4.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.94 3.94 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 1.15 0.00 0.00 0.96 0.00 0.00 *164 T 8.06 4.25 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 1.23 0.00 0.00 165 A 8.32 3.95 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 0.00 166 I 7.90 4.09 2.14 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.74 1.04 0.00 0.00 167 S 7.52 4.46 0.00 3.99 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 0.00 168 A 7.40 4.12 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 0.00 169 P 0.00 4.43 0.00 2.19 2.09 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 170 P 0.00 4.41 0.00 2.06 2.02 0.00 3.71 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 2.03 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.