NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.4558 8.2116 122.9403 51.8175 19.7846 179.4840 5 E 3.7162 8.3220 117.9120 55.7957 32.1649 174.3221 6 F 4.9826 7.3496 125.0455 57.1532 41.8702 174.3980 7 D 4.1295 9.7130 131.3839 55.0754 37.4348 176.1010 8 A 4.7221 9.1761 127.9277 51.9893 19.4324 178.7915 9 D 4.2626 6.9254 118.0511 56.4780 41.9937 177.2440 10 V 4.0691 7.8421 123.8748 61.6888 31.2864 173.1231 11 I 4.1670 7.9614 124.3241 59.9318 37.0130 174.3026 12 V 4.5511 8.1317 126.3259 61.9385 35.2076 172.5222 13 D 4.7161 8.2306 120.9673 53.3049 41.3412 173.6531 14 A 4.2268 7.8106 121.4422 51.9564 22.5596 173.7023 15 R 4.0419 10.0223 114.8599 56.2345 30.4086 173.1382 16 D 4.6062 7.1348 130.1087 53.4155 40.3286 175.7588 17 C 3.4181 6.0330 113.3355 54.7406 35.2695 172.5124 18 I 4.1484 7.8166 118.6829 59.5372 38.3355 175.5755 19 M 4.4825 7.9984 131.5313 55.3521 30.7891 174.8734 20 G 3.9329 7.2854 120.8315 45.8483 0.0000 175.9518 21 R 4.0503 8.3119 122.2503 60.7307 31.0476 177.8940 22 V 2.8940 7.4412 109.9944 65.6593 31.6918 177.3482 23 A 3.9214 6.6202 121.3661 57.2224 19.0131 182.0633 24 S 3.2516 7.2370 107.3829 59.4612 65.6519 175.7672 25 Q 3.8566 9.0450 119.6758 59.8188 28.8210 180.4439 26 V 2.9747 7.2848 115.0325 64.9899 32.8854 177.0496 27 A 3.7208 9.0810 120.0024 53.4111 18.2403 181.9604 28 E 3.3789 8.5141 112.9830 57.7215 30.5066 179.2935 29 Q 4.2235 8.5795 116.2614 57.4565 28.8015 178.1589 30 A 3.9432 12.0000 121.6604 54.3353 18.8282 178.7935 31 L 4.6008 7.8785 122.5185 52.8374 41.0272 180.8728 32 D 3.9139 9.3026 122.1017 57.3543 41.4633 173.0006 33 G 3.4324 9.1396 111.4573 45.5834 0.0000 172.0030 34 E 4.9042 7.5578 118.0640 54.5055 34.2732 177.0121 35 T 4.8297 8.2722 111.5133 59.5432 71.3865 173.5042 36 V 4.5322 8.4277 125.7924 61.0088 33.6230 173.0658 37 A 5.5778 8.5211 129.4374 49.0233 20.7102 175.7041 38 V 5.3570 9.1522 121.8880 61.8507 33.3179 178.8899 39 V 4.8589 9.7198 111.4821 58.9431 32.0581 168.4735 40 N 3.8518 9.7323 122.2210 53.3780 38.8803 179.4667 41 A 3.1690 8.7676 116.7834 52.5083 19.2891 179.4583 42 E 3.8323 7.8542 120.3829 60.7880 32.4317 179.4255 43 R 3.6860 8.8380 122.2045 59.6300 30.8656 175.9231 44 A 3.6642 8.1078 117.0865 49.5946 23.0078 175.3503 45 V 4.7671 6.7769 111.8678 63.0488 34.2243 172.8649 46 I 4.1334 8.1741 126.2205 62.1016 41.1831 174.9846 47 T 3.5099 7.6352 112.0896 59.4028 71.8190 172.3373 48 G 3.8280 8.6316 110.5473 46.1099 0.0000 176.2147 49 R 3.6204 9.2834 119.4423 60.4591 27.0413 177.1845 50 E 3.0747 8.5963 114.4220 57.5795 31.0194 182.1661 51 E 3.8299 8.0087 113.0363 54.9706 32.8430 181.9424 52 Q 5.3042 8.6356 132.9900 60.1438 28.2578 178.3956 53 I 3.5797 9.9190 120.4960 63.6892 38.0102 177.5273 54 V 3.7751 8.8418 116.0354 64.8604 31.6743 177.0043 55 E 4.1510 8.1254 118.9726 58.4570 29.2665 179.4846 56 K 4.3821 8.0831 116.7802 59.8735 32.4516 178.4080 57 Y 4.1127 8.2775 116.0324 60.2936 38.0718 177.5326 58 E 4.1367 8.6872 119.9682 58.6661 29.2984 179.0366 59 K 3.9798 7.9906 117.9084 58.6700 32.1088 178.1662 60 R 4.2806 7.6358 116.7586 57.5555 30.8714 177.4085 61 V 3.5099 7.4876 116.8998 65.2404 31.0568 175.3898 62 D 4.6429 6.7218 119.2060 53.3506 40.6693 177.7686 63 I 3.5255 6.8904 122.2470 61.5583 35.0312 174.2469 64 G 4.0477 7.6658 108.8389 43.5060 0.0000 170.5685 65 N 4.8785 10.5364 123.7412 52.8296 39.1783 176.6867 66 D 3.7923 7.5408 120.2451 54.7147 42.4463 178.2438 67 N 3.8743 7.7471 123.0582 55.2685 40.5955 175.0482 68 G 3.6160 12.0000 103.0058 44.7451 0.0000 171.1279 69 Y 3.8727 8.1304 109.4405 57.1920 36.4950 170.0665 70 F 3.9332 6.3585 115.9853 58.5691 39.3819 175.5720 71 Y 3.6234 9.0075 125.7647 57.9127 34.5540 166.7515 72 P 4.3367 0.0000 0.0000 61.4101 33.0844 175.8585 73 K 4.8474 8.2255 116.7781 55.0877 33.3371 176.5692 74 R 4.5902 8.2157 115.0830 54.9197 33.7122 174.3496 75 P 3.5974 0.0000 0.0000 64.4199 31.8751 181.4201 76 D 3.6464 6.6522 118.0967 56.1395 43.7677 178.0722 77 G 3.5260 9.5709 108.7942 46.8565 0.0000 178.2349 78 I 3.4342 8.3433 117.9806 63.9110 39.2472 176.3783 79 F 4.3414 8.5709 119.5549 59.5550 38.8946 177.3615 80 K 3.7897 10.7800 115.0495 60.0194 33.4225 180.0509 81 R 3.9666 8.5268 113.7485 57.5359 32.5092 181.7955 82 T 3.3147 10.0751 117.6877 62.3372 72.4923 176.0247 83 I 2.7428 6.5420 113.2156 60.7055 39.8201 177.5153 84 R 3.8365 5.8400 119.3261 57.9488 30.5366 177.4619 85 G 3.8241 9.2994 105.4533 48.0865 0.0000 174.4106 86 M 4.1437 10.6600 119.6411 57.9854 32.4173 177.1913 87 L 4.4767 7.1826 117.3839 53.5806 44.8066 174.9513 88 P 4.8889 0.0000 0.0000 63.5629 29.8197 177.2031 *90 K 4.6867 8.5155 117.4339 55.6529 33.0985 174.6608 91 K 4.2771 8.0352 116.2618 56.8826 34.5931 176.7009 92 Q 2.6991 9.3868 120.2120 56.6077 30.3760 176.9556 93 R 3.6114 8.7511 117.9117 58.8034 31.1638 178.9386 94 G 3.6516 7.7268 102.5633 47.4465 0.0000 177.2313 95 R 2.0000 8.8024 109.6908 56.4849 31.3493 179.4169 96 E 4.0773 9.0191 126.1269 61.4170 30.6814 178.0638 97 A 4.0215 9.4352 118.9543 54.3459 18.4671 178.4439 98 F 4.5270 12.0000 114.2343 58.3386 40.3428 177.4771 99 E 4.2429 8.9017 118.7215 59.0193 29.4122 178.8075 100 S 4.2837 8.0876 114.5233 60.6273 63.9924 174.5702 101 V 4.4155 7.4996 118.5702 61.8984 33.1754 175.5014 102 R 4.3945 8.1650 121.8888 55.4196 35.1659 174.1903 103 V 4.3743 7.2471 122.0103 61.7509 35.6677 172.6881 104 Y 4.7477 7.6610 117.6916 57.2917 42.4900 177.5398 105 L 4.0696 9.0927 123.6122 56.8352 40.5722 178.9657 106 G 3.5394 9.8322 104.9660 45.3486 0.0000 173.1694 107 N 4.4037 7.2706 120.2444 51.7537 41.8150 172.4792 108 P 4.2370 0.0000 0.0000 63.0823 33.0618 175.4836 109 Y 4.6541 7.0782 116.0228 57.6164 41.1639 176.4993 110 D 4.3998 7.7658 126.5199 55.7689 37.2992 176.8235 *131 T 4.1447 7.3430 112.4106 61.4601 70.4527 174.6120 132 L 4.9872 7.9019 129.6752 52.9091 42.5470 176.1601 133 G 4.4159 7.1257 102.5722 45.9317 0.0000 172.3176 134 E 4.4902 7.7909 119.3809 57.6392 32.5693 176.6981 135 I 4.2864 7.9050 118.2596 63.9662 38.7089 177.2144 136 S 4.2128 8.4542 106.9333 59.4978 60.8157 179.1952 137 E 3.0836 8.6330 116.3187 57.5241 31.7344 177.4460 138 T 3.6544 8.0352 107.3931 64.9267 69.4557 174.4428 139 L 4.7121 9.5458 123.7451 53.3271 40.8819 178.3342 140 G 4.8354 9.9993 121.6757 47.6349 0.0000 172.9521 141 A 4.8967 6.8111 126.2052 52.9545 18.6861 176.1408 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 8.21 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.32 3.72 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 6 F 7.35 4.98 0.00 2.78 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 0.00 0.00 0.00 0.00 7 D 9.71 4.13 0.00 2.86 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.18 4.72 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 9 D 6.93 4.26 0.00 2.83 2.64 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 0.00 10 V 7.84 4.07 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 0.89 0.00 0.00 0.32 0.00 0.00 11 I 7.96 4.17 1.89 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 1.27 0.80 0.95 0.00 0.00 12 V 8.13 4.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.95 0.00 0.00 13 D 8.23 4.72 0.00 3.00 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 14 A 7.81 4.23 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 15 R 10.02 4.04 0.00 1.93 2.13 0.00 3.28 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 16 D 7.13 4.61 0.00 2.87 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 17 C 6.03 3.42 0.00 3.10 3.08 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 18 I 7.82 4.15 1.84 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 1.26 1.38 0.89 0.00 0.00 19 M 8.00 4.48 0.00 1.75 2.27 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 20 G 7.29 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 0.00 0.00 0.00 21 R 8.31 4.05 0.00 1.93 1.91 0.00 3.47 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 22 V 7.44 2.89 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 0.84 0.00 0.00 23 A 6.62 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.24 3.25 0.00 4.07 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 25 Q 9.05 3.86 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 26 V 7.28 2.97 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 0.78 0.00 0.00 0.97 0.00 0.00 27 A 9.08 3.72 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 28 E 8.51 3.38 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 29 Q 8.58 4.22 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 30 A 12.00 3.94 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 31 L 7.88 4.60 0.00 1.90 0.89 0.89 1.07 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 32 D 9.30 3.91 0.00 2.69 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 33 G 9.14 3.43 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 0.00 34 E 7.56 4.90 0.00 1.97 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 2.21 2.20 0.00 35 T 8.27 4.83 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 1.16 0.00 0.00 36 V 8.43 4.53 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 0.98 0.00 0.00 0.91 0.00 0.00 37 A 8.52 5.58 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 38 V 9.15 5.36 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 1.27 0.00 0.00 0.99 0.00 0.00 39 V 9.72 4.86 2.43 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 1.00 0.00 0.00 1.04 0.00 0.00 40 N 9.73 3.85 0.00 3.02 3.15 0.00 0.00 7.53 7.19 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 41 A 8.77 3.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.85 3.83 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.27 0.00 43 R 8.84 3.69 0.00 1.78 2.06 0.00 3.30 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 44 A 8.11 3.66 1.68 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 45 V 6.78 4.77 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 1.07 0.00 0.00 0.79 0.00 0.00 46 I 8.17 4.13 1.75 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.32 0.86 0.00 0.00 47 T 7.64 3.51 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 1.19 0.00 0.00 48 G 8.63 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.28 3.62 0.00 1.90 2.34 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 50 E 8.60 3.07 0.00 2.07 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 2.32 2.34 0.00 51 E 8.01 3.83 0.00 2.08 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 2.38 2.38 0.00 52 Q 8.64 5.30 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.92 0.00 0.00 0.00 0.00 0.00 2.67 2.31 0.00 53 I 9.92 3.58 1.97 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 1.41 1.19 0.83 0.00 0.00 54 V 8.84 3.78 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 1.01 0.00 0.00 0.94 0.00 0.00 55 E 8.13 4.15 0.00 2.11 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 2.34 2.48 0.00 56 K 8.08 4.38 0.00 2.09 1.96 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.76 7.81 57 Y 8.28 4.11 0.00 3.05 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 58 E 8.69 4.14 0.00 2.21 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 2.38 2.71 0.00 59 K 7.99 3.98 0.00 2.27 1.67 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.61 7.81 60 R 7.64 4.28 0.00 2.09 2.38 0.00 3.70 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.00 61 V 7.49 3.51 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 0.78 0.00 0.00 1.06 0.00 0.00 62 D 6.72 4.64 0.00 2.76 2.70 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 63 I 6.89 3.53 0.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.60 0.00 0.00 64 G 7.67 4.05 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 0.00 0.00 0.00 65 N 10.54 4.88 0.00 4.16 3.13 0.00 0.00 6.62 7.96 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 66 D 7.54 3.79 0.00 2.83 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 67 N 7.75 3.87 0.00 2.67 2.70 0.00 0.00 7.21 7.98 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 68 G 12.00 3.62 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 0.00 0.00 0.00 69 Y 8.13 3.87 0.00 3.22 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 70 F 6.36 3.93 0.00 3.05 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 71 Y 9.01 3.62 0.00 3.08 3.41 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 72 P 0.00 4.34 0.00 2.13 2.05 0.00 3.66 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 2.16 0.00 73 K 8.23 4.85 0.00 1.81 1.77 0.00 1.77 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.66 7.81 74 R 8.22 4.59 0.00 1.81 2.35 0.00 3.55 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 75 P 0.00 3.60 0.00 1.94 1.81 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 76 D 6.65 3.65 0.00 2.70 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 77 G 9.57 3.53 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 0.00 78 I 8.34 3.43 2.47 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 1.64 0.71 1.03 0.00 0.00 79 F 8.57 4.34 0.00 3.33 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 80 K 10.78 3.79 0.00 1.84 1.76 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.84 1.64 7.81 81 R 8.53 3.97 0.00 2.07 1.02 0.00 3.22 0.00 0.00 3.23 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 82 T 10.08 3.31 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 1.45 0.00 0.00 83 I 6.54 2.74 1.85 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 2.29 0.69 1.05 0.00 0.00 84 R 5.84 3.84 0.00 2.06 2.36 0.00 3.27 0.00 0.00 3.54 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.32 0.00 85 G 9.30 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 0.00 0.00 0.00 0.00 86 M 10.66 4.14 0.00 1.98 2.12 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 2.60 2.80 0.00 87 L 7.18 4.48 0.00 1.49 1.47 0.80 -0.15 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 88 P 0.00 4.89 0.00 2.48 1.71 0.00 3.90 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 2.28 2.03 0.00 *90 K 8.52 4.69 0.00 1.75 1.86 0.00 1.53 0.00 0.00 2.15 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.24 7.81 91 K 8.04 4.28 0.00 1.81 1.73 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 92 Q 9.39 2.70 0.00 2.18 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 93 R 8.75 3.61 0.00 1.95 1.87 0.00 3.22 0.00 0.00 3.34 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 94 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 95 R 8.80 2.00 0.00 2.20 1.60 0.00 3.10 0.00 0.00 3.03 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.73 0.00 96 E 9.02 4.08 0.00 2.27 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 2.43 2.34 0.00 97 A 9.44 4.02 1.08 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 0.00 0.00 98 F 12.00 4.53 0.00 2.90 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.90 4.24 0.00 2.05 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 2.35 2.42 0.00 100 S 8.09 4.28 0.00 3.75 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 0.00 101 V 7.50 4.42 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 0.83 0.00 0.00 0.91 0.00 0.00 102 R 8.16 4.39 0.00 1.74 1.69 0.00 3.03 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 103 V 7.25 4.37 1.75 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 0.68 0.00 0.00 0.87 0.00 0.00 104 Y 7.66 4.75 0.00 3.05 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 0.00 105 L 9.09 4.07 0.00 1.65 1.17 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 106 G 9.83 3.54 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 0.00 0.00 0.00 107 N 7.27 4.40 0.00 2.67 2.75 0.00 0.00 6.79 8.02 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 0.00 108 P 0.00 4.24 0.00 0.49 1.66 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 109 Y 7.08 4.65 0.00 3.18 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 0.00 110 D 7.77 4.40 0.00 2.78 2.76 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 *131 T 7.34 4.14 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 1.20 0.00 0.00 132 L 7.90 4.99 0.00 2.02 2.02 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.13 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 0.00 0.00 0.00 0.00 134 E 7.79 4.49 0.00 1.95 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 0.00 2.27 2.32 0.00 135 I 7.90 4.29 1.83 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 1.26 1.02 0.00 0.00 136 S 8.45 4.21 0.00 3.92 2.93 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 0.00 137 E 8.63 3.08 0.00 2.12 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 2.36 2.34 0.00 138 T 8.04 3.65 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 1.24 0.00 0.00 139 L 9.55 4.71 0.00 1.70 1.85 1.45 0.82 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 0.00 140 G 10.00 4.84 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 0.00 141 A 6.81 4.90 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 * Residues marked with a * may have inaccurate shift predictions.