NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3775 8.3344 115.4072 57.5581 64.3607 172.9120 6 S 4.0387 8.3303 115.4238 57.2078 62.6904 171.6095 7 P 4.5384 0.0000 0.0000 62.5737 32.7826 177.1729 8 K 4.2524 9.2482 121.0601 58.2124 32.0312 179.4944 9 R 3.7410 8.1035 119.7579 59.1819 29.8872 176.5688 10 P 4.0179 0.0000 0.0000 65.8311 31.2322 178.0190 11 Y 3.9389 8.1912 118.7549 61.4522 37.8729 178.4920 12 L 4.1828 8.1636 123.4003 59.2084 40.9675 180.9760 13 L 4.4492 8.1508 121.2238 58.4321 42.0767 179.4319 14 R 3.9318 8.0746 117.8050 59.0596 29.9232 178.9482 15 A 4.0652 8.4512 123.2617 56.0828 18.3148 179.9990 *16 Y 4.2065 8.4571 119.5400 62.0213 36.8726 179.4402 17 Y 4.2495 8.4756 120.9584 61.0342 38.9397 178.0737 18 D 4.4391 8.4818 119.8107 57.0473 40.9972 178.5791 19 W 4.1030 8.3783 128.8896 60.3788 30.6635 177.9583 20 L 3.7488 8.3913 119.0742 57.8105 41.1252 179.7064 21 V 3.3433 7.7064 118.2439 66.1237 31.2461 177.8166 22 D 4.3034 8.1560 117.5021 56.5343 40.5344 177.4458 23 N 4.3084 6.8657 114.6942 52.1721 38.7044 175.1131 24 S 3.5784 7.2771 114.2327 59.4466 60.8555 171.4167 25 F 5.0135 7.6501 118.5413 56.7415 40.9363 175.7481 26 T 4.3043 8.8139 117.9299 61.5447 69.9041 172.7602 27 P 4.5598 0.0000 0.0000 62.8480 32.4763 174.9809 28 Y 5.2142 8.7985 123.4853 55.9655 40.6786 174.5544 29 L 5.0878 8.8325 126.1371 53.2880 45.0097 174.9616 30 V 4.6426 8.7626 126.6616 61.7540 33.2521 174.6369 31 V 4.8198 8.8490 127.8676 61.1552 35.0635 174.2237 32 D 5.1255 8.9923 127.4700 53.0584 40.7122 176.5733 33 A 4.2843 8.7535 127.8889 53.6034 18.4963 178.2181 34 T 4.2991 8.2343 105.6408 62.1466 69.8120 175.0198 35 Y 4.0085 8.0224 125.0933 57.0583 39.3368 174.8493 36 L 3.8537 7.6370 128.8624 56.6265 42.4294 176.9790 37 G 4.1389 9.0014 114.6420 44.9438 0.0000 173.5330 38 V 3.9033 7.4192 120.2210 63.1315 32.3423 175.3481 39 N 4.9562 9.5989 126.9268 51.8167 40.2912 173.0954 40 V 4.6853 7.9467 116.6460 58.2262 36.7808 173.4254 41 P 4.1196 0.0000 0.0000 62.7009 31.1893 177.5993 42 V 3.6314 8.5348 124.9490 65.7963 31.5067 177.4593 43 E 4.0553 8.1654 115.4209 58.0241 29.3880 176.5856 44 Y 4.4261 7.8047 116.2461 57.6578 38.8265 175.7312 45 V 4.0347 7.6993 121.2496 62.1375 32.4219 175.2579 46 K 4.4701 8.9656 126.7304 55.5231 33.9134 176.0574 47 D 4.3606 9.7657 125.3117 55.4948 38.6823 174.8354 48 G 3.9659 8.4080 103.6644 45.7536 0.0000 173.0227 49 Q 5.0949 8.0088 119.9946 54.1362 33.0150 173.8303 50 I 4.9636 8.7095 123.6637 59.3550 41.9203 173.6436 51 V 4.8604 8.5406 128.4207 61.2115 33.2302 174.5220 52 L 4.7312 8.7153 127.6874 52.7392 45.0435 175.1320 53 N 4.6899 8.5201 122.0488 53.0604 39.3008 174.2164 54 L 4.4700 8.7807 126.2994 54.3014 42.8680 177.2487 55 S 4.2332 8.6391 115.1105 57.9856 63.5347 175.2849 56 A 4.1287 8.5190 123.5168 55.3691 18.1693 179.9717 57 S 4.1874 7.9924 111.3289 61.1209 63.3731 175.5872 58 A 4.3215 7.5946 122.0479 51.7618 18.9267 176.7544 59 T 4.9010 6.9282 105.4729 59.3554 72.1075 173.5769 60 G 4.1174 9.0000 111.1070 45.1298 0.0000 172.8951 61 N 4.2023 8.9069 119.4606 53.9272 36.2200 174.7480 62 L 4.4488 7.8201 118.5850 55.4080 43.4865 176.5118 63 Q 4.4860 9.4804 125.1880 54.2263 32.0450 174.7161 64 L 5.0247 8.4341 124.9448 52.9935 41.3801 176.0771 65 T 4.1277 7.8700 113.8385 59.5384 70.8764 175.8550 66 N 4.2788 8.2824 118.2949 55.8338 38.7884 176.2104 67 D 4.7271 7.6339 116.8664 55.2603 42.2336 175.4126 68 F 5.1012 7.1599 112.6621 56.0448 41.9239 172.9716 69 I 5.1132 8.7736 120.2221 59.6559 39.9652 174.8846 70 Q 5.3809 9.2251 126.9214 53.8496 33.1053 173.3123 71 F 5.2011 7.8818 117.9629 56.9719 40.7823 171.8134 72 N 5.5304 9.0598 116.9893 52.1754 40.9782 174.2427 73 A 4.9201 9.0119 122.1398 51.1070 23.3361 175.2362 74 R 4.9835 8.2959 118.5608 54.7716 32.3199 176.4493 75 F 4.3081 8.7825 121.3495 56.2413 41.0975 175.3125 76 K 3.7384 9.6031 126.8714 57.5958 29.1360 177.3434 77 G 3.8979 8.4867 106.0004 45.3949 0.0000 173.8870 78 V 4.2608 7.4202 120.9103 61.0731 33.0279 174.9227 79 S 4.8902 8.7421 123.7676 58.5699 62.9977 173.3377 80 R 4.7883 9.5482 125.3070 54.4897 34.7484 173.4294 81 E 4.8530 8.7310 122.6064 54.8854 31.2144 174.9548 82 L 4.8568 8.5027 126.9162 53.1362 44.9211 174.8987 83 Y 4.9499 8.6364 122.6792 56.0094 42.1828 173.9617 84 I 4.6180 8.6061 127.7587 58.5648 40.2878 173.6895 85 P 4.5368 0.0000 0.0000 62.3526 32.1281 177.4246 86 M 3.7238 9.0011 122.4903 58.5565 32.1955 178.6709 87 G 2.6684 7.7744 105.0354 46.5030 0.0000 173.6699 88 A 3.7393 7.2704 122.0558 52.0361 19.3457 176.5228 89 A 4.4866 7.2277 119.9973 51.5449 18.7046 177.1194 90 L 4.5823 8.8337 123.5191 57.3430 43.5942 176.7134 91 A 4.2414 7.6479 117.5673 51.2298 22.8218 174.9783 92 I 5.2529 8.2148 118.9188 59.8535 41.7862 173.5671 93 Y 5.3724 8.7125 125.6058 55.6476 42.1496 173.3763 94 A 4.3627 9.2263 122.8866 51.5465 18.9002 178.7835 95 R 3.3422 8.1765 123.9354 59.3849 30.0799 178.0165 96 E 4.1062 8.1359 117.8545 58.8561 29.5795 177.2458 97 N 4.7894 7.3482 110.5263 51.6775 38.7040 175.1537 98 G 3.8493 8.5017 106.7395 45.7791 0.0000 173.7738 99 D 4.4957 7.9633 120.7324 53.0425 42.5419 175.9675 100 G 4.2700 7.9142 115.2414 46.9752 0.0000 172.4899 101 V 4.3920 7.8502 120.5052 60.4061 36.6563 170.0685 102 M 4.5839 8.1553 122.5534 53.5471 33.4950 175.7036 103 F 4.5779 8.1320 125.7561 57.4646 39.7204 175.4883 104 E 4.2599 8.9376 122.3521 55.3347 30.1554 175.2074 105 P 4.4980 0.0000 0.0000 62.8373 32.1394 175.9371 106 E 4.6849 8.6748 120.6335 54.5271 32.7753 176.1687 107 E 4.6403 9.0922 123.4204 59.2600 29.7285 179.5275 108 I 3.6112 7.5706 116.6874 63.9339 38.1224 176.3218 109 Y 4.6953 7.9620 117.8058 59.9178 38.3893 175.1541 110 D 4.6730 8.1151 124.2854 53.4118 39.8030 176.0825 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 5 S 8.33 4.38 0.00 3.95 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 6 S 8.33 4.04 0.00 3.95 3.81 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 7 P 0.00 4.54 0.00 2.13 1.72 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 8 K 9.25 4.25 0.00 1.84 1.90 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 9 R 8.10 3.74 0.00 2.15 2.03 0.00 2.62 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.66 0.00 10 P 0.00 4.02 0.00 2.12 2.26 0.00 4.01 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 11 Y 8.19 3.94 0.00 3.25 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 12 L 8.16 4.18 0.00 1.67 1.67 0.92 0.47 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 13 L 8.15 4.45 0.00 1.36 1.70 0.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.07 3.93 0.00 1.85 1.93 0.00 3.04 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 15 A 8.45 4.07 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 *16 Y 8.46 4.21 0.00 2.32 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 0.00 0.00 0.00 0.00 17 Y 8.48 4.25 0.00 3.27 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 18 D 8.48 4.44 0.00 3.04 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 19 W 8.38 4.10 0.00 3.51 3.51 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 0.00 20 L 8.39 3.75 0.00 1.83 1.65 1.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.71 3.34 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 0.92 0.00 0.00 0.41 0.00 0.00 22 D 8.16 4.30 0.00 2.68 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 23 N 6.87 4.31 0.00 1.81 1.73 0.00 0.00 7.04 7.50 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 24 S 7.28 3.58 0.00 3.61 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 25 F 7.65 5.01 0.00 2.87 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 26 T 8.81 4.30 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 1.22 0.00 0.00 27 P 0.00 4.56 0.00 2.01 1.79 0.00 3.44 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 28 Y 8.80 5.21 0.00 1.93 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 0.00 0.00 0.00 0.00 29 L 8.83 5.09 0.00 1.78 1.54 1.12 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.76 4.64 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 0.94 0.00 0.00 1.22 0.00 0.00 31 V 8.85 4.82 2.24 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 0.94 0.00 0.00 0.98 0.00 0.00 32 D 8.99 5.13 0.00 2.89 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 33 A 8.75 4.28 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 34 T 8.23 4.30 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 1.28 0.00 0.00 35 Y 8.02 4.01 0.00 3.19 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 36 L 7.64 3.85 0.00 1.46 1.26 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 G 9.00 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 38 V 7.42 3.90 2.24 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 0.77 0.00 0.00 1.17 0.00 0.00 39 N 9.60 4.96 0.00 2.77 2.71 0.00 0.00 6.59 7.26 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 40 V 7.95 4.69 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 0.76 0.00 0.00 0.94 0.00 0.00 41 P 0.00 4.12 0.00 1.88 1.78 0.00 3.23 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.54 0.00 42 V 8.53 3.63 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 1.01 0.00 0.00 0.92 0.00 0.00 43 E 8.17 4.06 0.00 1.87 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 1.85 2.02 0.00 44 Y 7.80 4.43 0.00 3.12 3.12 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 0.00 0.00 0.00 0.00 45 V 7.70 4.03 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 1.02 0.00 0.00 46 K 8.97 4.47 0.00 1.80 1.71 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.54 7.81 47 D 9.77 4.36 0.00 2.82 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 48 G 8.41 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 0.00 0.00 0.00 49 Q 8.01 5.09 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 50 I 8.71 4.96 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.69 0.97 0.00 0.00 51 V 8.54 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 0.75 0.00 0.00 1.05 0.00 0.00 52 L 8.72 4.73 0.00 1.66 1.66 1.12 0.73 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 53 N 8.52 4.69 0.00 2.58 2.62 0.00 0.00 6.99 7.78 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 54 L 8.78 4.47 0.00 1.77 1.75 0.97 0.38 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 55 S 8.64 4.23 0.00 3.95 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 56 A 8.52 4.13 1.33 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 0.00 0.00 57 S 7.99 4.19 0.00 4.02 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 58 A 7.59 4.32 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 59 T 6.93 4.90 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 0.70 0.00 0.00 60 G 9.00 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.91 4.20 0.00 2.91 2.92 0.00 0.00 6.96 7.85 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 62 L 7.82 4.45 0.00 1.59 1.54 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 9.48 4.49 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 64 L 8.43 5.02 0.00 1.26 1.36 0.22 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.87 4.13 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 0.73 0.00 0.00 66 N 8.28 4.28 0.00 2.62 2.90 0.00 0.00 6.81 8.06 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 67 D 7.63 4.73 0.00 2.84 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 68 F 7.16 5.10 0.00 2.66 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 69 I 8.77 5.11 1.90 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 1.05 0.79 1.12 0.00 0.00 70 Q 9.23 5.38 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 71 F 7.88 5.20 0.00 3.30 3.11 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 72 N 9.06 5.53 0.00 2.70 2.82 0.00 0.00 7.08 7.25 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 73 A 9.01 4.92 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 74 R 8.30 4.98 0.00 1.61 1.83 0.00 3.13 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 75 F 8.78 4.31 0.00 3.07 2.86 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 76 K 9.60 3.74 0.00 2.06 1.99 0.00 1.98 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.66 7.81 77 G 8.49 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 78 V 7.42 4.26 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 0.96 0.00 0.00 0.98 0.00 0.00 79 S 8.74 4.89 0.00 3.96 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 80 R 9.55 4.79 0.00 1.78 1.68 0.00 3.12 0.00 0.00 2.93 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 81 E 8.73 4.85 0.00 2.09 1.79 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 2.15 2.40 0.00 82 L 8.50 4.86 0.00 0.55 1.19 1.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.64 4.95 0.00 2.90 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 84 I 8.61 4.62 1.81 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 1.23 0.47 0.82 0.00 0.00 85 P 0.00 4.54 0.00 2.25 2.14 0.00 3.60 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 2.52 2.23 0.00 86 M 9.00 3.72 0.00 2.00 2.05 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 2.25 2.57 0.00 87 G 7.77 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 0.00 0.00 0.00 88 A 7.27 3.74 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.23 4.49 1.14 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 90 L 8.83 4.58 0.00 1.68 1.76 0.96 0.36 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 91 A 7.65 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.21 5.25 2.12 0.00 0.00 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 1.40 1.72 1.02 0.00 0.00 93 Y 8.71 5.37 0.00 3.30 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 94 A 9.23 4.36 0.74 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 95 R 8.18 3.34 0.00 0.67 1.41 0.00 3.27 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.06 0.00 96 E 8.14 4.11 0.00 1.97 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 2.44 2.37 0.00 97 N 7.35 4.79 0.00 2.70 2.75 0.00 0.00 6.04 7.00 0.00 0.00 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 G 8.50 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 0.00 0.00 0.00 99 D 7.96 4.50 0.00 2.64 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 0.00 100 G 7.91 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 0.00 101 V 7.85 4.39 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 0.61 0.00 0.00 0.93 0.00 0.00 102 M 8.16 4.58 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 103 F 8.13 4.58 0.00 3.00 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 0.00 104 E 8.94 4.26 0.00 2.05 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 2.37 2.31 0.00 105 P 0.00 4.50 0.00 2.10 2.06 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 106 E 8.67 4.68 0.00 2.19 1.70 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 2.32 2.56 0.00 107 E 9.09 4.64 0.00 1.98 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 0.00 2.43 2.26 0.00 108 I 7.57 3.61 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.20 0.00 0.00 109 Y 7.96 4.70 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.67 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.