NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3219 8.3645 123.5817 52.0202 19.7849 176.9784 2 E 4.3382 9.3409 120.3490 54.4334 30.0614 170.4600 3 C 5.3703 8.3539 122.3038 55.5920 42.8185 173.2385 4 S 4.3933 7.5790 112.2256 56.8537 65.9250 173.4386 5 V 4.4270 7.9485 119.2722 60.3916 34.9023 173.2087 6 D 5.1023 8.5387 123.1576 53.0945 42.3562 175.8660 7 I 4.7968 8.8372 123.8411 59.5160 41.3940 174.2943 8 Q 5.1392 9.5447 125.1875 54.1332 31.8818 174.6779 9 G 4.3245 9.0890 111.5342 44.8434 0.0000 172.5367 10 N 5.5505 8.3691 121.4237 50.7685 40.8873 174.6192 11 D 4.8403 8.7389 117.1476 55.1327 40.8579 176.9137 12 Q 4.4860 8.4008 117.7558 55.3581 29.1619 175.0578 13 M 2.9300 7.5056 113.9788 56.8545 31.2096 176.5335 14 Q 4.5529 7.7147 113.9363 53.6876 32.7639 175.3643 15 F 5.2227 8.4688 119.9530 57.0642 39.9375 175.8211 16 N 4.6796 8.6179 119.6681 54.6240 37.7250 175.1785 17 T 4.8217 7.7847 112.2286 60.7816 70.8709 172.3425 18 N 5.4151 8.8585 122.4003 52.6041 40.7478 173.4472 19 A 5.2886 8.2703 120.1346 51.1133 22.6249 176.6870 20 I 4.6635 9.1677 123.4693 59.7330 40.7428 174.7791 21 T 5.0277 8.5456 121.6802 61.7108 71.3896 173.5406 22 V 3.8835 8.6451 126.2130 60.6421 33.8142 174.5223 23 D 4.6055 8.8205 128.0295 54.9005 41.0197 178.3391 24 K 4.0559 8.9190 123.3348 59.1602 32.3517 178.5274 25 S 4.2519 7.9672 112.1935 60.4136 63.2784 175.2035 26 C 4.4250 7.8470 120.0736 56.8111 41.7481 173.4964 27 K 4.1198 8.8000 126.3646 58.8230 32.9061 176.3898 28 Q 5.0666 7.9296 115.9397 53.8385 32.6057 174.8144 29 F 4.7409 8.3790 122.9094 56.5740 43.0681 173.5823 30 T 4.6756 7.3514 121.7923 61.5290 71.4995 172.9694 31 V 4.2207 8.2720 126.4977 61.0163 33.8942 174.0313 32 N 4.9220 8.6705 126.1695 51.6745 40.1558 173.3214 33 L 5.1519 8.7383 127.7054 53.6146 44.2600 175.4998 34 S 5.1606 9.0822 119.5781 57.2932 67.6409 172.6480 35 H 6.1924 8.9636 118.9377 52.9129 30.6740 169.5522 36 P 4.6331 0.0000 0.0000 61.4700 32.3385 177.7712 37 G 3.8568 7.4492 108.3134 45.7491 0.0000 171.2372 38 N 4.9431 9.1704 115.6689 52.3931 40.9868 174.5608 39 L 4.4711 7.9167 118.9586 52.8299 43.3409 174.5675 40 P 4.7333 0.0000 0.0000 62.0444 32.2717 177.3324 41 K 3.9648 8.5714 119.0742 59.6520 31.8054 178.4235 42 N 4.7789 8.2996 115.9988 55.1017 37.3841 176.3667 43 V 4.6149 7.1993 110.2162 61.3365 33.5572 176.1827 44 M 4.2366 7.6747 118.1671 54.2788 32.7118 174.8298 45 G 3.8977 7.3658 103.5536 46.2659 0.0000 173.4967 46 H 5.4381 9.2460 119.0768 53.7525 32.8705 172.3284 47 N 5.6966 9.0671 118.3719 50.8626 41.6856 172.4792 48 W 5.0888 9.2209 128.5148 55.6594 33.4456 174.1191 49 V 4.4905 7.9032 126.7538 60.6806 34.5109 173.6640 50 L 4.8055 8.2191 129.3610 53.1187 44.7112 175.2816 51 S 5.1161 8.8624 119.7728 56.8491 67.4688 173.4592 52 T 4.2125 8.6461 109.3921 61.2850 69.2860 174.8245 53 A 3.9192 8.6197 125.7760 55.8432 18.0402 180.3435 54 A 3.9429 7.8655 117.1892 54.7727 18.7435 178.5110 55 D 4.5823 7.8650 115.3364 55.1012 41.2387 178.4131 56 M 3.6621 7.6046 119.6267 58.6332 32.2280 177.7457 57 Q 3.8542 7.9046 119.2312 59.0187 29.1426 178.2655 58 G 3.5866 7.9312 106.2489 47.7922 0.0000 175.6406 59 V 3.6188 8.0491 121.1909 65.6424 31.5772 178.3542 60 V 3.5876 7.9011 118.2304 66.2652 31.2545 178.1619 61 T 3.8193 8.2202 115.9001 66.7413 68.0840 175.7420 62 C 4.3400 8.2953 119.5248 59.7094 41.1422 175.5945 63 G 4.1996 8.2534 108.6276 47.6224 0.0000 175.1161 64 M 3.9917 8.2067 120.6072 58.5685 32.0334 178.0769 65 A 3.9978 7.6212 118.6311 54.3865 18.6535 179.2810 66 S 4.2554 7.8341 113.6769 58.6495 63.4214 175.4430 67 G 3.8411 7.3328 106.1973 44.4953 0.0000 174.0046 68 L 2.8231 7.7350 119.8416 57.6201 42.0546 178.2010 69 D 4.4247 7.7808 115.4564 55.7026 41.4922 176.2014 70 K 4.4133 7.6771 117.2706 56.2973 32.3844 175.9262 71 D 4.6198 8.3193 116.4756 55.5099 39.1012 173.1810 72 Y 3.9568 7.3990 113.0753 58.9078 36.1825 170.6030 73 L 5.0187 7.6473 116.4315 52.8697 45.8041 176.2439 74 C 4.4277 8.8181 120.7380 56.0791 40.5483 171.9925 75 P 4.3507 0.0000 0.0000 64.3248 31.4166 175.5057 76 D 4.3087 8.6133 119.2875 55.2285 38.6804 173.8026 77 D 4.5669 7.9789 118.9561 53.3605 40.9495 176.6778 78 S 4.3329 8.5915 122.2565 60.6282 63.2608 175.6741 79 R 4.0091 8.2110 119.6959 57.9808 30.0603 176.5875 80 V 4.1254 7.5514 118.4936 61.8830 31.5618 175.6171 81 I 4.0575 8.7033 129.8206 64.2809 37.6404 176.4449 82 A 4.8016 7.6282 120.6815 51.5363 22.2686 174.9439 83 H 5.4777 8.6095 113.9686 55.0923 31.3709 173.2956 84 T 4.6882 8.7659 111.6594 60.2991 70.9474 173.9946 85 K 4.5717 9.0676 122.1590 56.1918 34.0632 176.2745 86 L 4.7665 8.7671 123.6880 54.7204 42.7840 175.9147 87 I 4.7820 9.1022 119.9232 59.3392 40.9922 175.7469 88 G 4.3878 9.1693 112.8524 44.7224 0.0000 172.8903 89 S 4.1974 7.9171 114.8716 59.5231 63.2254 175.0319 90 G 3.8958 9.1992 111.8536 45.4130 0.0000 172.9063 91 E 4.8150 7.6398 119.3303 54.9938 32.3617 174.7653 92 K 4.7780 8.2500 118.3579 56.4070 35.5721 174.5201 93 D 4.8159 8.9858 119.6039 53.4275 45.1202 174.0071 94 S 5.2984 8.5562 117.9930 56.6460 66.9047 173.8121 95 V 4.5689 8.5864 121.6208 60.2591 34.6329 174.3914 96 T 5.0950 8.6302 119.6112 61.7531 71.3358 173.1419 97 F 5.1363 8.5552 119.8106 54.9401 42.4607 173.6243 98 D 4.9118 8.7954 119.7380 53.9534 41.3784 178.1365 99 V 3.8020 8.6627 124.8351 65.4794 31.7695 178.0892 100 S 4.2518 8.0735 113.3099 60.7293 62.8990 175.5682 101 K 4.1156 7.9561 119.9985 58.2977 31.9614 176.8075 102 L 4.2301 7.7393 119.9613 53.0087 42.5285 176.1021 103 K 4.7549 9.0748 122.8231 54.2266 35.2312 175.9151 104 G 3.7519 8.5103 109.1766 47.4321 0.0000 173.5684 105 G 4.0237 8.9915 111.0064 45.0058 0.0000 173.4326 106 E 4.2565 7.4462 119.3631 55.2465 30.8330 174.9908 107 Q 4.6889 8.3583 122.4494 54.2405 32.0542 174.3093 108 Y 5.2639 8.4042 119.0928 56.5563 42.3264 174.2768 109 M 5.4682 9.4556 122.1905 53.5319 36.3666 174.5154 110 F 5.4341 8.7435 117.0485 54.5756 41.2579 174.2002 111 F 5.3140 7.1844 112.4954 56.7364 40.5784 171.7424 112 C 5.5594 9.3811 120.9818 57.7191 32.4928 173.5183 113 T 4.5358 9.2974 115.3246 61.1721 69.2441 174.7496 114 F 3.4894 8.0597 125.4743 57.4858 39.8602 172.3362 115 P 4.0321 0.0000 0.0000 64.4734 31.5942 175.9845 116 G 4.1544 8.9230 111.6784 45.9945 0.0000 175.1118 117 H 4.3790 8.4385 117.2111 58.7383 28.7945 177.7098 118 S 4.5814 8.0648 112.2632 60.3002 63.2228 175.0145 119 A 4.0981 7.5458 123.0128 54.7253 18.2607 178.1502 120 L 4.4661 7.8178 113.2090 56.3602 43.6199 177.4118 121 M 4.3428 8.3583 120.9449 52.9734 30.2532 174.6105 122 K 4.8834 7.3577 119.2174 56.1224 36.3910 175.4468 123 G 3.6519 7.7297 107.4828 45.9358 0.0000 172.3492 124 T 5.0468 8.1201 109.9567 60.5128 71.0002 173.7040 125 L 5.4507 8.6882 125.0306 53.8252 44.9270 175.7857 126 T 4.8275 8.7114 121.8839 61.5250 72.6404 173.3575 127 L 4.5111 8.8009 128.6869 54.2894 42.5682 178.0146 *128 K 4.0309 8.3272 124.3328 54.5185 34.0091 172.4202 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 A 8.36 4.32 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 2 E 9.34 4.34 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 3 C 8.35 5.37 0.00 2.73 3.19 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 4 S 7.58 4.39 0.00 3.44 3.42 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 5 V 7.95 4.43 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 0.53 0.00 0.00 0.87 0.00 0.00 6 D 8.54 5.10 0.00 2.51 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.84 4.80 1.62 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.42 0.79 0.00 0.00 8 Q 9.54 5.14 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 9 G 9.09 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 0.00 0.00 0.00 0.00 10 N 8.37 5.55 0.00 2.86 2.97 0.00 0.00 6.75 8.13 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 11 D 8.74 4.84 0.00 2.70 2.74 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 12 Q 8.40 4.49 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 13 M 7.51 2.93 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.30 0.00 14 Q 7.71 4.55 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 15 F 8.47 5.22 0.00 3.23 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 16 N 8.62 4.68 0.00 2.90 3.02 0.00 0.00 6.60 8.20 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 17 T 7.78 4.82 4.31 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 1.24 0.00 0.00 18 N 8.86 5.42 0.00 2.79 2.85 0.00 0.00 6.66 8.10 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 19 A 8.27 5.29 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 20 I 9.17 4.66 1.98 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.90 0.00 0.00 21 T 8.55 5.03 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 1.20 0.00 0.00 22 V 8.65 3.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 23 D 8.82 4.61 0.00 2.90 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 24 K 8.92 4.06 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.43 7.81 25 S 7.97 4.25 0.00 3.97 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 26 C 7.85 4.42 0.00 3.14 3.33 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 0.00 0.00 0.00 0.00 27 K 8.80 4.12 0.00 1.83 1.77 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.47 7.81 28 Q 7.93 5.07 0.00 1.81 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.47 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 29 F 8.38 4.74 0.00 2.63 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.35 4.68 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 31 V 8.27 4.22 1.18 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 -0.19 0.00 0.00 -0.09 0.00 0.00 32 N 8.67 4.92 0.00 2.65 2.62 0.00 0.00 6.15 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 33 L 8.74 5.15 0.00 1.71 1.68 1.20 0.85 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 34 S 9.08 5.16 0.00 3.90 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 35 H 8.96 6.19 0.00 3.27 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.63 0.00 2.15 2.06 0.00 4.21 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 37 G 7.45 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 38 N 9.17 4.94 0.00 2.60 2.80 0.00 0.00 6.91 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 39 L 7.92 4.47 0.00 1.82 1.54 0.90 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 40 P 0.00 4.73 0.00 2.39 2.18 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 41 K 8.57 3.96 0.00 1.88 1.91 0.00 1.94 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.66 1.60 7.81 42 N 8.30 4.78 0.00 3.01 3.03 0.00 0.00 5.84 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 43 V 7.20 4.61 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 0.83 0.00 0.00 0.92 0.00 0.00 44 M 7.67 4.24 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 45 G 7.37 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.25 5.44 0.00 3.14 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.07 5.70 0.00 2.98 3.18 0.00 0.00 5.64 8.88 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 48 W 9.22 5.09 0.00 3.45 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 49 V 7.90 4.49 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.90 0.00 0.00 50 L 8.22 4.81 0.00 0.96 1.24 0.90 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.86 5.12 0.00 4.08 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 52 T 8.65 4.21 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 1.23 0.00 0.00 53 A 8.62 3.92 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 54 A 7.87 3.94 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 55 D 7.87 4.58 0.00 2.76 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 56 M 7.60 3.66 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.97 0.00 57 Q 7.90 3.85 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 58 G 7.93 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 59 V 8.05 3.62 2.30 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 1.22 0.00 0.00 1.09 0.00 0.00 60 V 7.90 3.59 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 0.90 0.00 0.00 0.60 0.00 0.00 61 T 8.22 3.82 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 62 C 8.30 4.34 0.00 3.17 3.27 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 63 G 8.25 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 64 M 8.21 3.99 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 65 A 7.62 4.00 1.29 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 66 S 7.83 4.26 0.00 4.03 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 67 G 7.33 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 0.00 0.00 0.00 68 L 7.74 2.82 0.00 1.50 1.50 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.78 4.42 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 4.41 0.00 1.74 1.87 0.00 2.00 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.37 7.81 71 D 8.32 4.62 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.40 3.96 0.00 3.22 3.07 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 0.00 0.00 0.00 0.00 73 L 7.65 5.02 0.00 1.56 1.49 0.80 1.31 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 74 C 8.82 4.43 0.00 2.98 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.35 0.00 2.04 2.01 0.00 3.83 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 2.03 2.12 0.00 76 D 8.61 4.31 0.00 2.80 2.74 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 77 D 7.98 4.57 0.00 2.89 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 78 S 8.59 4.33 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 79 R 8.21 4.01 0.00 2.00 2.12 0.00 3.16 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 80 V 7.55 4.13 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 0.81 0.00 0.00 0.95 0.00 0.00 81 I 8.70 4.06 1.68 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.68 0.00 0.00 82 A 7.63 4.80 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 8.61 5.48 0.00 3.17 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.77 4.69 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 1.33 0.00 0.00 85 K 9.07 4.57 0.00 2.00 1.93 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.46 7.81 86 L 8.77 4.77 0.00 1.84 1.84 1.21 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.10 4.78 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 0.99 0.00 0.00 88 G 9.17 4.39 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 0.00 89 S 7.92 4.20 0.00 3.99 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 90 G 9.20 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.64 4.81 0.00 2.07 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 2.26 2.39 0.00 92 K 8.25 4.78 0.00 1.86 1.74 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.43 7.81 93 D 8.99 4.82 0.00 2.83 2.53 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 94 S 8.56 5.30 0.00 3.67 3.58 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 95 V 8.59 4.57 2.25 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 0.87 0.00 0.00 1.09 0.00 0.00 96 T 8.63 5.10 4.19 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 1.09 0.00 0.00 97 F 8.56 5.14 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.80 4.91 0.00 2.82 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 99 V 8.66 3.80 2.31 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 0.97 0.00 0.00 0.90 0.00 0.00 100 S 8.07 4.25 0.00 4.05 4.02 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 0.00 0.00 0.00 0.00 101 K 7.96 4.12 0.00 2.02 1.92 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.48 7.81 102 L 7.74 4.23 0.00 1.68 1.40 0.90 -0.25 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 0.00 103 K 9.07 4.75 0.00 1.96 1.96 0.00 1.39 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.43 7.81 104 G 8.51 3.75 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 0.00 0.00 0.00 105 G 8.99 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.45 4.26 0.00 1.81 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 1.97 1.47 0.00 107 Q 8.36 4.69 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 108 Y 8.40 5.26 0.00 3.12 2.79 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 0.00 109 M 9.46 5.47 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 110 F 8.74 5.43 0.00 1.61 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 0.00 111 F 7.18 5.31 0.00 3.10 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 0.00 112 C 9.38 5.56 0.00 3.21 2.91 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 0.00 113 T 9.30 4.54 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 1.51 0.00 0.00 114 F 8.06 3.49 0.00 3.18 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.03 0.00 1.61 1.71 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.33 0.00 116 G 8.92 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 0.00 117 H 8.44 4.38 0.00 3.40 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.06 4.58 0.00 3.96 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 0.00 119 A 7.55 4.10 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 0.00 120 L 7.82 4.47 0.00 1.66 1.68 0.89 0.88 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 0.00 121 M 8.36 4.34 0.00 1.20 1.94 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.10 0.00 122 K 7.36 4.88 0.00 1.73 1.78 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 123 G 7.73 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 0.00 124 T 8.12 5.05 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 1.22 0.00 0.00 125 L 8.69 5.45 0.00 1.97 1.75 1.22 0.88 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 0.00 126 T 8.71 4.83 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 127 L 8.80 4.51 0.00 1.57 1.62 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *128 K 8.33 4.03 0.00 1.86 1.72 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.17 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.