NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.5026 8.2649 122.4494 51.8345 20.1821 175.8046 5 V 4.2963 8.4150 113.9480 58.9613 35.1032 173.1604 6 L 5.0471 8.3536 124.3719 53.4346 43.9291 176.0049 7 T 4.1393 8.8534 115.5406 63.8683 70.2952 174.8270 8 G 3.9909 7.2491 105.9892 46.1444 0.0000 172.1037 9 V 5.1560 8.7269 119.9076 60.7144 33.9021 174.8971 10 A 4.9246 8.7129 130.3029 50.4518 21.4552 175.4992 11 T 5.1083 8.3045 111.2132 60.4336 72.1811 172.7738 12 D 4.6620 8.5399 119.4991 52.9801 45.0747 175.1684 13 K 4.6814 8.4514 123.8161 56.4673 33.9119 176.5139 14 S 4.5932 9.4964 112.4436 57.7741 63.6138 172.6491 15 E 5.3060 7.8069 119.1027 54.7176 33.6699 174.6699 16 A 4.7892 8.7283 121.2303 50.4079 22.8466 175.5616 17 K 4.6889 8.2953 120.6881 55.5838 35.5290 175.9431 18 V 4.2516 8.2526 121.7720 61.5943 34.9887 174.0665 19 T 4.8568 8.2651 125.4993 61.7946 70.7335 174.0925 20 V 3.9770 8.4453 128.6054 62.0748 32.3660 175.0666 21 L 4.7224 9.1188 129.4926 54.2307 43.5057 177.3188 22 G 4.1486 9.3570 109.6553 46.6989 0.0000 173.7363 23 I 4.0328 7.8534 120.2561 59.5353 38.8040 175.1553 24 S 4.3877 8.6988 123.9750 59.0562 63.6428 174.4514 25 D 4.6447 8.4895 129.2651 54.5896 40.3342 176.1496 26 K 4.7749 7.3350 121.0512 51.6523 35.8947 175.8425 27 P 4.4347 0.0000 0.0000 64.7220 31.5168 177.4662 28 G 4.0333 8.9514 109.2533 46.0564 0.0000 175.0890 29 E 4.2362 7.8183 119.1722 58.8074 29.5714 178.7375 30 A 4.0549 7.9928 120.3872 54.8705 18.5853 179.0314 31 A 4.0109 8.1459 118.9121 55.4872 18.2586 179.5324 32 K 3.8445 7.6986 115.4349 59.8298 31.7483 179.5383 33 V 3.5008 7.3417 116.5668 66.1205 31.4358 177.8954 34 F 4.3394 7.9245 116.6508 59.5290 38.9308 177.9069 35 R 4.0151 8.7251 118.6657 58.6725 29.9230 178.3710 36 A 3.9714 7.7605 121.1631 55.2799 18.4692 179.6480 37 L 4.0005 7.6083 116.1227 57.6457 41.7163 179.5882 38 A 4.0523 8.2167 121.0092 55.1098 18.0554 179.4679 39 D 4.3009 7.9410 116.4396 57.4269 41.0999 178.3893 40 A 4.1494 7.7955 117.9472 52.1241 18.6640 176.8340 41 E 3.6696 7.7024 115.2775 57.0839 27.7149 175.3459 42 I 4.0971 7.6726 120.0273 59.9239 37.1207 175.9397 43 N 4.4225 8.6763 125.5019 53.3410 39.2645 174.5130 44 I 4.0703 8.2131 119.4623 62.1759 38.8803 173.8946 45 D 4.7694 8.7112 121.4518 54.9247 42.6189 178.2629 46 M 4.3967 5.9406 114.4947 55.4302 33.7613 175.9881 47 V 5.0726 8.2243 120.7098 61.3821 35.3803 174.7989 48 L 4.7127 9.2393 126.3825 53.4468 45.9225 174.9905 49 Q 4.7472 8.6321 124.8017 54.6374 31.7963 174.2421 50 N 4.7583 8.6552 125.4921 52.0164 41.0567 174.3600 51 V 3.8724 7.9588 112.1019 60.9305 32.1666 176.6348 52 S 4.5062 8.4104 119.5880 58.3796 64.1296 174.9173 53 S 4.3060 8.6178 118.4393 58.2292 62.7671 176.8854 54 V 3.6182 8.4060 123.9105 65.7123 31.6448 176.8602 55 E 4.0389 8.2981 118.7102 59.6867 29.4087 177.6431 56 D 4.4018 7.9276 116.8719 57.3725 41.5708 178.5568 57 G 4.1993 8.8974 106.6835 45.2951 0.0000 172.6454 58 T 5.1933 7.8194 107.9176 60.0009 72.8894 172.3796 59 T 5.1524 8.7719 112.4574 60.1418 72.6846 171.7688 60 D 5.3403 8.6070 119.7501 52.6746 44.1935 176.3606 61 I 4.5247 8.3394 123.1418 60.1567 39.2656 174.5241 62 T 5.1328 8.8108 125.4534 62.1667 70.2006 174.3955 63 F 5.6133 8.8070 120.7446 55.3884 41.7380 173.7617 64 T 5.1801 8.6789 110.5185 60.6651 71.8821 172.6947 65 C 4.8621 8.6933 116.2986 56.0796 33.9847 171.1977 66 P 4.4279 0.0000 0.0000 63.5185 31.0429 176.7913 67 R 4.0073 8.9836 125.5001 59.6404 30.2198 178.4721 68 S 4.1814 8.1799 112.3707 61.5638 63.1081 174.6101 69 D 4.7606 8.8037 118.7602 54.4994 41.0943 178.6125 70 G 3.6830 8.2443 108.7386 48.0329 0.0000 176.4252 71 R 2.8792 7.5596 121.3804 58.3782 30.1593 178.1913 72 R 3.7919 7.8643 117.8742 59.5144 29.9665 178.2202 73 A 4.0849 7.9927 120.4716 55.2644 17.8677 179.2717 74 M 4.0514 8.0524 116.7909 58.8619 32.1846 177.9529 75 E 4.2421 7.8870 116.0774 57.8886 29.9065 178.8715 76 I 3.9141 7.5757 120.8467 64.4477 36.9637 178.1962 77 L 4.4691 7.9935 121.8268 57.7306 41.2114 180.2506 78 K 4.2368 7.7606 125.0581 60.2941 31.6890 184.7107 79 K 4.3938 7.5809 122.4873 58.6325 32.8852 180.0272 80 L 4.3669 7.0395 119.1527 51.8563 40.0324 175.1848 81 Q 3.8407 7.1493 117.0155 55.1459 32.1273 173.2659 *85 N 4.7076 8.8618 121.5583 52.8060 40.5802 175.0411 86 W 4.8247 7.3045 115.8163 56.2606 29.8928 177.0092 87 T 4.1350 8.7424 120.1487 65.9457 67.6327 174.2964 88 N 4.5790 7.7472 117.8285 52.6348 42.1015 176.0607 89 V 4.9590 8.4319 115.8898 62.7894 34.5010 174.1160 90 L 4.8868 8.6677 127.0639 53.1525 44.5118 174.7473 91 Y 4.9795 8.5354 123.4300 56.2837 40.7834 174.3185 92 D 4.3526 7.6919 122.8054 52.4409 45.1786 175.0296 93 D 4.5469 8.0442 125.2893 52.8126 40.6179 175.1632 94 Q 4.9046 8.2758 116.7411 56.5010 30.2841 175.3806 95 V 4.3662 7.9291 118.1998 60.7077 33.1983 175.3692 96 G 4.2610 8.8787 109.6762 44.3069 0.0000 171.0450 97 K 5.1961 8.6609 123.8201 54.1928 34.9349 175.1076 98 V 4.9966 8.5464 126.2082 60.0900 34.1444 174.7725 99 S 5.3396 9.2804 120.4137 56.5298 67.2679 172.7853 100 L 4.9720 8.7403 124.7530 53.6018 43.9029 175.2820 101 V 4.2989 8.4629 127.3511 61.6123 33.0957 175.6101 102 G 4.2343 8.3462 113.9639 46.4807 0.0000 171.7503 103 A 4.4180 8.5366 122.8612 52.3499 22.6067 176.2658 104 G 3.7045 8.6318 107.1941 47.2333 0.0000 174.2531 105 M 4.3833 7.7314 117.3039 55.0399 33.1066 179.0105 106 K 3.8140 8.0171 120.6523 59.3166 32.5036 177.8901 107 S 4.3092 7.9509 110.7045 59.8683 63.1407 173.8898 108 H 4.7764 7.5570 118.6271 52.9241 29.0330 172.0590 109 P 4.5431 0.0000 0.0000 64.1822 31.3810 177.9042 110 G 3.7088 8.1556 104.9675 47.5452 0.0000 175.6051 111 V 3.8684 7.5020 119.4196 66.4287 31.0235 178.1994 112 T 3.8067 7.9627 114.5420 66.5601 68.2975 176.2742 113 A 4.0230 7.9396 122.4668 55.4315 18.5066 179.6373 114 E 4.1458 9.2237 118.0227 59.1857 28.9290 179.4787 115 F 3.9727 8.4888 121.1151 61.7426 39.3437 177.0680 116 M 4.3984 7.9479 116.8852 57.8621 31.6744 178.6750 117 E 4.0052 8.6891 119.4939 59.2267 29.4910 178.9647 118 A 3.9695 8.1814 120.2282 54.9773 18.7618 179.2507 119 L 4.1243 7.6123 116.6722 57.4395 41.9077 179.6122 120 R 3.9969 7.7735 116.1829 59.1947 29.1502 178.1186 121 D 4.6061 7.7685 117.6395 55.3466 40.9830 176.8527 122 V 4.0904 7.2370 117.6299 61.4847 32.5206 174.7057 123 N 4.0869 7.6855 115.6175 55.1348 37.1132 173.2383 124 V 4.5171 7.2753 118.6570 60.3410 34.6117 174.9779 125 N 4.5108 8.6367 125.8970 53.0516 38.4789 172.0311 126 I 4.2068 8.3471 127.1078 59.9047 36.7854 176.0999 127 E 4.2492 9.1607 126.9744 58.4212 29.8734 177.0377 128 L 4.9542 7.7840 117.6032 52.9989 45.8788 175.0644 129 I 4.9111 8.0164 119.9388 60.2102 41.2032 176.0036 130 S 4.5514 9.2676 121.6329 57.6887 64.2760 172.9189 131 T 4.7246 7.8415 116.2815 60.1413 71.8115 172.6326 132 S 4.5148 8.4600 114.0540 58.1433 65.6113 174.1633 133 E 4.0626 8.8605 118.5131 59.1727 29.4697 178.2858 134 I 4.5021 7.6621 109.8791 59.8223 38.8540 174.7801 135 R 4.9727 7.2613 116.3639 55.6549 32.8193 174.0961 136 I 4.5500 8.4079 121.0081 59.7419 39.4590 174.2235 137 S 5.2849 8.2216 122.1081 56.9786 65.4368 174.0194 138 V 4.8581 8.5235 116.0461 59.7259 36.3512 174.2704 139 L 4.9991 8.6071 125.0431 53.9763 43.2792 175.9638 140 I 5.5233 8.4022 117.6153 57.7522 41.6284 173.9128 141 R 4.3362 8.4529 121.8837 56.1741 30.5764 177.0228 142 E 3.8613 9.1237 127.6114 60.0526 29.3927 179.2667 143 D 4.4232 7.9862 116.6726 57.0557 40.9342 177.3933 144 D 4.6266 8.3294 117.7650 54.4200 40.9293 177.9250 145 L 4.0360 7.6106 121.4708 58.3191 41.6838 179.2657 146 D 4.3362 8.0277 117.6209 57.3236 40.8067 178.6015 147 A 3.9670 7.9684 120.5177 54.7425 18.3154 179.5084 148 A 3.8160 8.5692 119.8185 55.1929 18.4622 179.3936 149 A 3.9280 8.4985 122.1721 56.1255 18.5108 180.3423 150 R 3.8652 8.1984 118.4486 61.9326 29.3951 180.8576 151 A 4.1919 7.5699 120.8120 54.8681 18.3425 179.8494 152 L 3.7980 7.5848 117.2314 58.1207 41.8125 179.2924 153 H 4.1416 8.7154 119.0912 59.6232 28.4177 178.3779 154 E 4.1450 8.2232 121.4770 61.4432 29.6435 181.4848 155 Q 4.4047 8.1757 122.8672 60.5945 28.4442 181.0372 *156 F 4.7347 7.7967 119.1112 56.8732 39.8251 177.5762 157 Q 3.7122 7.8159 116.4847 57.6221 25.3890 173.6532 158 L 4.3390 8.2446 119.4361 54.6756 42.0244 176.7840 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 8.26 4.50 1.28 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 5 V 8.42 4.30 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 0.72 0.00 0.00 0.99 0.00 0.00 6 L 8.35 5.05 0.00 1.46 1.56 0.93 0.90 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 7 T 8.85 4.14 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 8 G 7.25 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 0.00 0.00 0.00 9 V 8.73 5.16 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 1.17 0.00 0.00 0.82 0.00 0.00 10 A 8.71 4.92 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 11 T 8.30 5.11 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 1.23 0.00 0.00 12 D 8.54 4.66 0.00 2.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.45 4.68 0.00 1.74 1.68 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.31 1.51 7.81 14 S 9.50 4.59 0.00 3.99 4.08 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 0.00 0.00 0.00 15 E 7.81 5.31 0.00 1.83 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 2.31 2.29 0.00 16 A 8.73 4.79 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 17 K 8.30 4.69 0.00 1.74 1.85 0.00 1.19 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.25 7.81 18 V 8.25 4.25 0.67 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 0.92 0.00 0.00 0.81 0.00 0.00 19 T 8.27 4.86 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 1.18 0.00 0.00 20 V 8.45 3.98 1.73 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 0.09 0.00 0.00 0.78 0.00 0.00 21 L 9.12 4.72 0.00 1.73 1.57 0.93 0.76 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 22 G 9.36 4.15 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 0.00 23 I 7.85 4.03 1.37 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.84 0.00 0.00 24 S 8.70 4.39 0.00 3.98 3.84 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 25 D 8.49 4.64 0.00 2.67 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 26 K 7.34 4.77 0.00 1.68 1.61 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.32 0.98 7.81 27 P 0.00 4.43 0.00 2.05 2.03 0.00 3.69 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 2.04 2.10 0.00 28 G 8.95 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 0.00 0.00 0.00 0.00 29 E 7.82 4.24 0.00 2.15 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 0.00 2.52 2.70 0.00 30 A 7.99 4.05 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 31 A 8.15 4.01 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 32 K 7.70 3.84 0.00 2.23 2.08 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.72 7.81 33 V 7.34 3.50 1.65 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 0.11 0.00 0.00 0.31 0.00 0.00 34 F 7.92 4.34 0.00 3.11 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 35 R 8.73 4.02 0.00 1.94 2.07 0.00 3.25 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 36 A 7.76 3.97 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.61 4.00 0.00 1.71 1.70 0.04 0.79 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 38 A 8.22 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 39 D 7.94 4.30 0.00 2.86 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 40 A 7.80 4.15 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 41 E 7.70 3.67 0.00 2.14 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 2.37 2.44 0.00 42 I 7.67 4.10 1.93 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 1.23 0.53 1.02 0.00 0.00 43 N 8.68 4.42 0.00 2.70 2.77 0.00 0.00 7.27 7.94 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 44 I 8.21 4.07 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 1.20 0.89 0.93 0.00 0.00 45 D 8.71 4.77 0.00 2.69 2.32 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 46 M 5.94 4.40 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 47 V 8.22 5.07 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 0.80 0.00 0.00 48 L 9.24 4.71 0.00 1.74 1.52 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.63 4.75 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 50 N 8.66 4.76 0.00 2.72 2.73 0.00 0.00 7.27 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 51 V 7.96 3.87 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 0.78 0.00 0.00 0.93 0.00 0.00 52 S 8.41 4.51 0.00 4.14 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 53 S 8.62 4.31 0.00 3.67 3.78 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 0.00 0.00 0.00 54 V 8.41 3.62 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 0.92 0.00 0.00 0.93 0.00 0.00 55 E 8.30 4.04 0.00 1.97 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 2.31 2.36 0.00 56 D 7.93 4.40 0.00 2.72 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 57 G 8.90 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 0.00 0.00 0.00 58 T 7.82 5.19 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 1.29 0.00 0.00 59 T 8.77 5.15 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 1.25 0.00 0.00 60 D 8.61 5.34 0.00 2.52 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 61 I 8.34 4.52 1.71 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 1.20 0.95 0.99 0.00 0.00 62 T 8.81 5.13 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 1.17 0.00 0.00 63 F 8.81 5.61 0.00 3.42 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 64 T 8.68 5.18 4.35 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 1.21 0.00 0.00 65 C 8.69 4.86 0.00 3.15 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 66 P 0.00 4.43 0.00 2.31 2.30 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.03 0.00 67 R 8.98 4.01 0.00 2.04 2.04 0.00 3.12 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 68 S 8.18 4.18 0.00 3.93 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 69 D 8.80 4.76 0.00 2.81 2.72 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 70 G 8.24 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 71 R 7.56 2.88 0.00 1.31 1.68 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.00 72 R 7.86 3.79 0.00 1.89 2.05 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 73 A 7.99 4.08 1.61 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 0.00 0.00 74 M 8.05 4.05 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 75 E 7.89 4.24 0.00 1.97 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 2.32 2.28 0.00 76 I 7.58 3.91 2.10 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 1.74 1.45 0.95 0.00 0.00 77 L 7.99 4.47 0.00 1.78 2.05 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.76 4.24 0.00 1.89 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 79 K 7.58 4.39 0.00 1.90 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.35 7.81 80 L 7.04 4.37 0.00 1.71 1.33 0.97 0.91 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 81 Q 7.15 3.84 0.00 1.60 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 *85 N 8.86 4.71 0.00 2.72 2.88 0.00 0.00 7.02 7.68 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 86 W 7.30 4.82 0.00 3.33 3.17 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 0.00 0.00 0.00 87 T 8.74 4.14 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 1.30 0.00 0.00 88 N 7.75 4.58 0.00 2.39 2.61 0.00 0.00 6.28 7.67 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 89 V 8.43 4.96 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 1.04 0.00 0.00 1.11 0.00 0.00 90 L 8.67 4.89 0.00 1.65 1.52 0.92 0.38 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 91 Y 8.54 4.98 0.00 2.86 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 92 D 7.69 4.35 0.00 2.60 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 0.00 0.00 0.00 0.00 93 D 8.04 4.55 0.00 2.60 2.40 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 94 Q 8.28 4.90 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 95 V 7.93 4.37 2.15 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 0.63 0.00 0.00 0.90 0.00 0.00 96 G 8.88 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 0.00 0.00 0.00 0.00 97 K 8.66 5.20 0.00 1.87 1.66 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 98 V 8.55 5.00 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 0.83 0.00 0.00 0.95 0.00 0.00 99 S 9.28 5.34 0.00 3.78 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 0.00 100 L 8.74 4.97 0.00 2.17 1.76 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.46 4.30 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 0.95 0.00 0.00 0.95 0.00 0.00 102 G 8.35 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 0.00 0.00 0.00 0.00 103 A 8.54 4.42 1.22 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 0.00 104 G 8.63 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 0.00 105 M 7.73 4.38 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 106 K 8.02 3.81 0.00 1.70 1.90 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.41 7.81 107 S 7.95 4.31 0.00 3.90 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 0.00 108 H 7.56 4.78 0.00 3.14 3.23 0.00 5.61 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 0.00 109 P 0.00 4.54 0.00 2.16 2.08 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 110 G 8.16 3.71 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 0.00 0.00 0.00 111 V 7.50 3.87 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 1.16 0.00 0.00 1.00 0.00 0.00 112 T 7.96 3.81 4.35 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 1.15 0.00 0.00 113 A 7.94 4.02 1.41 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 0.00 0.00 0.00 114 E 9.22 4.15 0.00 2.01 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 2.35 2.45 0.00 115 F 8.49 3.97 0.00 3.33 3.16 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 0.00 116 M 7.95 4.40 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.01 0.00 117 E 8.69 4.01 0.00 2.11 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 2.34 2.50 0.00 118 A 8.18 3.97 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 0.00 119 L 7.61 4.12 0.00 1.78 1.71 0.62 0.77 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 0.00 120 R 7.77 4.00 0.00 2.01 2.20 0.00 2.77 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 121 D 7.77 4.61 0.00 2.60 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 7.24 4.09 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 0.77 0.00 0.00 0.96 0.00 0.00 123 N 7.69 4.09 0.00 2.87 2.77 0.00 0.00 6.81 7.72 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 0.00 124 V 7.28 4.52 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 1.02 0.00 0.00 0.95 0.00 0.00 125 N 8.64 4.51 0.00 2.46 2.72 0.00 0.00 6.88 7.17 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 0.00 126 I 8.35 4.21 1.90 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 1.42 0.91 0.96 0.00 0.00 127 E 9.16 4.25 0.00 1.96 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 2.31 2.43 0.00 128 L 7.78 4.95 0.00 1.60 1.52 0.90 0.71 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 0.00 129 I 8.02 4.91 1.84 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 1.21 0.56 0.82 0.00 0.00 130 S 9.27 4.55 0.00 3.83 3.66 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 0.00 0.00 0.00 0.00 131 T 7.84 4.72 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 1.03 0.00 0.00 132 S 8.46 4.51 0.00 3.87 3.85 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 0.00 133 E 8.86 4.06 0.00 2.04 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 2.39 2.29 0.00 134 I 7.66 4.50 1.93 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 0.97 1.52 0.91 0.00 0.00 135 R 7.26 4.97 0.00 1.94 2.01 0.00 2.89 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 136 I 8.41 4.55 1.42 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.64 -0.22 0.00 0.00 137 S 8.22 5.28 0.00 3.93 3.76 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 0.00 138 V 8.52 4.86 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 0.84 0.00 0.00 1.28 0.00 0.00 139 L 8.61 5.00 0.00 1.62 1.58 0.90 0.62 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 0.00 140 I 8.40 5.52 1.96 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 1.10 2.26 0.98 0.00 0.00 141 R 8.45 4.34 0.00 1.95 1.82 0.00 3.35 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 142 E 9.12 3.86 0.00 2.06 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 2.31 2.39 0.00 143 D 7.99 4.42 0.00 2.65 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 0.00 144 D 8.33 4.63 0.00 2.82 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 0.00 145 L 7.61 4.04 0.00 1.77 1.74 0.99 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.03 4.34 0.00 2.75 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 0.00 147 A 7.97 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.57 3.82 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 0.00 149 A 8.50 3.93 1.41 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 0.00 0.00 0.00 150 R 8.20 3.87 0.00 1.82 1.99 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 151 A 7.57 4.19 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 0.00 152 L 7.58 3.80 0.00 1.69 1.54 0.58 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.72 4.14 0.00 3.26 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.22 4.14 0.00 2.09 1.86 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 2.26 2.19 0.00 155 Q 8.18 4.40 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 *156 F 7.80 4.73 0.00 2.38 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 0.00 0.00 0.00 157 Q 7.82 3.71 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 158 L 8.24 4.34 0.00 1.54 1.50 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.