NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2796 8.0249 120.7650 61.5744 40.1689 174.7325 3 Y 4.0528 7.5602 127.1976 55.4041 44.2990 174.7408 *5 P 4.1543 0.0000 0.0000 63.5404 34.1304 173.4312 6 I 4.5254 8.0577 120.6553 60.3672 38.7250 175.2441 7 V 4.9402 8.4643 127.5548 61.3438 33.4924 174.7628 8 V 5.0131 8.8079 126.9813 59.8288 34.3263 174.1139 9 A 5.2695 8.5788 125.9872 50.3086 20.6257 176.2377 10 V 4.2859 8.3339 115.3789 59.9764 34.4642 175.0314 11 D 4.6292 9.1291 123.9994 55.2808 41.9560 176.7262 12 K 4.6711 7.3817 116.4161 53.8104 36.2019 175.8194 13 K 3.5404 8.2095 119.7199 56.3182 32.3762 177.4965 14 S 4.4887 7.9994 116.7618 56.3456 66.5964 175.4711 15 D 4.4773 8.6431 122.5331 57.8378 40.4278 179.3203 16 R 3.9378 8.0139 118.3324 59.3040 30.1318 178.2185 17 A 4.0947 8.1805 120.7123 55.1577 18.3489 179.0313 18 E 3.8949 8.7274 117.8633 59.6837 29.6581 179.4467 19 R 3.9748 7.9093 117.6466 59.0733 30.1587 178.9249 20 V 3.6115 8.0531 118.2802 66.3397 31.4261 178.1857 21 L 4.0518 8.1932 118.5843 57.7226 41.4611 179.7224 22 R 3.8913 8.4301 118.5791 59.1936 29.9531 178.9059 23 F 3.9444 8.3586 120.2532 61.1652 39.3180 176.9854 24 A 4.0696 8.3380 120.2823 55.2401 18.1956 179.4274 25 A 3.8779 8.3506 119.5530 55.1076 18.3856 179.6134 26 E 3.7198 7.8068 117.3718 59.4043 29.7478 178.6430 27 E 3.8283 8.0579 118.5347 59.3650 29.4260 179.3756 28 A 3.8728 8.1914 120.7121 55.2068 18.2805 179.5324 29 R 3.8048 8.1053 115.5496 59.8013 30.2730 178.9661 30 L 4.0850 7.7183 116.8965 57.4402 41.7192 179.0824 31 R 4.2823 7.8992 116.0919 55.7029 30.7888 176.3997 32 G 3.6416 8.6078 106.5528 46.3694 0.0000 173.5688 33 V 4.4436 7.2098 109.7929 58.2905 36.2407 174.3910 34 P 4.6899 0.0000 0.0000 62.8326 33.3126 174.7414 35 V 4.7853 9.1583 121.4223 61.6304 33.7953 173.9371 36 Y 5.3474 9.2432 126.1242 56.6397 39.9106 174.7875 37 V 4.6812 9.0742 125.9779 61.9849 33.3940 175.1805 38 V 5.3686 8.9798 120.7111 58.9843 35.4486 174.1526 39 H 5.0515 8.4641 122.0677 54.6127 33.1282 171.4811 40 S 5.1639 8.3597 119.7565 56.5667 64.6637 172.5056 41 L 4.7783 8.8114 126.4689 52.4241 45.1797 175.6969 42 P 4.0599 0.0000 0.0000 66.3507 31.7017 178.6156 43 G 4.0393 9.0590 105.4778 45.0581 0.0000 173.7890 44 G 4.0176 7.6896 109.0446 44.0791 0.0000 174.3220 45 G 3.7271 8.6601 107.1142 48.5697 0.0000 175.1728 46 R 4.1131 7.8410 117.3636 58.3219 30.5766 177.0383 47 T 4.0090 7.6272 115.6434 63.1334 68.8715 174.2297 48 K 4.6343 8.4249 125.5240 54.0286 36.5251 176.6695 49 D 4.3666 8.4525 120.9452 57.6595 40.7419 179.0159 50 E 4.0954 8.1134 118.0554 59.0116 29.4535 178.8785 51 D 4.4103 8.0163 118.9915 57.0730 40.9425 178.6178 52 I 3.7103 7.5934 120.3469 64.4912 37.1894 178.4122 53 I 3.6967 7.6197 120.4465 64.2839 36.7911 178.2124 54 E 3.8321 8.2599 119.7914 59.2980 29.7024 178.6059 55 A 3.8200 8.1826 121.1000 55.1856 18.3945 179.8233 56 K 3.9918 8.2323 116.9258 59.5145 32.1312 179.5118 57 E 4.0229 8.2578 118.9339 59.6571 29.3094 179.4366 58 T 4.0014 8.1979 116.0456 66.8515 68.5462 176.7005 59 L 4.0748 7.9379 120.5036 57.6079 41.7220 179.5069 60 S 4.4816 8.1696 114.5277 60.7141 62.5443 175.9079 61 W 4.1754 8.4995 130.8994 60.4756 30.3848 177.7787 62 A 3.2300 8.3173 120.7699 54.9544 17.8773 179.7857 63 V 3.5063 7.8916 117.0837 66.0253 31.5012 178.2723 64 S 4.0884 7.8940 113.8384 61.4477 62.5538 176.7389 65 I 3.4620 7.1113 122.7472 64.1065 36.8210 178.0733 66 I 3.6120 7.3937 120.6580 64.7742 36.8818 178.6724 67 R 4.3264 7.8732 119.6607 58.7363 29.7509 179.1541 68 K 3.9226 8.1062 117.4388 59.3613 32.0485 178.2665 69 E 4.3713 8.0817 116.4683 56.1980 29.3159 177.3400 70 G 3.7953 8.2041 106.9125 45.4281 0.0000 173.1261 71 A 4.8402 7.7668 120.5091 49.5470 22.8302 175.9330 72 E 4.4404 8.5923 118.4942 55.9190 31.0372 176.2532 73 G 4.6034 8.5370 109.5179 44.7543 0.0000 171.4881 74 E 4.9344 9.2557 120.3693 54.3649 34.1919 174.6602 75 E 4.7402 8.6710 122.2435 56.2091 31.8187 175.4622 76 H 4.7491 9.3311 120.3717 53.8168 31.9422 171.9453 77 L 4.5590 8.4105 125.6763 54.5356 43.1385 175.6781 78 L 4.6280 8.9091 126.3922 53.0471 44.2707 175.6323 79 V 5.2142 8.4188 123.8529 59.9302 32.8751 174.4690 80 R 4.4901 8.0463 123.3521 54.6830 32.7595 175.6311 81 G 3.8612 8.1502 106.0624 46.4436 0.0000 173.9485 82 K 4.6558 7.7832 117.1425 53.7136 35.5308 176.2315 83 E 4.3030 8.3091 119.1292 55.1689 31.5416 175.9930 84 P 4.3091 0.0000 0.0000 64.7458 31.4239 177.2596 85 P 4.2448 0.0000 0.0000 65.7720 31.3145 178.4508 86 D 4.3689 8.0868 117.2358 57.2283 40.7092 178.2270 87 D 4.3451 8.2619 118.5798 57.4712 41.3064 178.4794 88 I 3.7816 8.1524 120.6731 64.3325 37.1208 178.6415 89 V 3.6289 7.9900 119.1141 66.1639 31.3426 177.7822 90 D 4.3621 8.5168 119.0358 57.3847 40.6972 178.4399 91 F 4.3380 8.7521 122.2604 60.6632 39.2954 177.0875 92 A 3.9829 8.2642 120.2936 55.3488 18.1094 179.3974 93 D 4.3596 8.1104 117.4340 57.4057 40.3482 178.8759 94 E 3.9262 8.2769 119.3385 59.0041 29.2808 178.8509 95 V 3.9477 7.2064 108.8481 59.8277 32.9436 175.2466 96 D 4.2042 7.5612 117.2256 55.0200 39.6210 173.5574 97 A 4.2587 8.1477 121.9375 52.4756 19.4820 178.3262 98 I 4.0660 8.8091 121.9711 64.2831 37.9432 176.1986 99 A 4.6334 7.6455 120.2876 51.3203 22.6118 175.0395 100 I 4.9270 8.3049 120.3008 59.6306 40.0888 175.0892 101 V 4.9361 8.8802 126.8444 61.0973 34.0322 174.3936 102 I 4.9687 8.8231 120.4610 59.1467 41.3745 174.4369 103 G 4.4275 8.6759 110.1587 45.4566 0.0000 173.0975 104 I 4.8484 8.6644 122.8800 58.8621 41.2694 175.4502 105 R 3.9970 8.5921 125.2632 55.9912 30.3841 176.2670 106 K 4.1240 8.5640 124.7223 55.6526 32.1644 175.8238 107 R 4.5721 8.2158 126.0192 54.0224 32.0922 176.3982 108 S 4.3430 8.4121 117.6225 57.2259 63.9877 172.3847 109 P 4.6943 0.0000 0.0000 63.1230 31.7702 176.2080 110 T 4.5914 8.2104 109.6977 61.2725 68.7803 175.1263 111 G 3.9054 9.9335 109.6264 45.9533 0.0000 173.1365 112 K 4.1670 7.4328 117.1271 56.8375 34.5046 174.2601 113 L 4.3866 8.2417 120.9563 54.5226 42.3936 173.7662 114 I 4.5356 7.8710 118.6854 58.7169 39.9677 175.3749 115 F 4.3972 8.6630 120.8178 56.0892 40.1264 176.3402 116 G 3.8774 8.6607 113.9884 45.8530 0.0000 174.3780 117 S 4.1505 8.7012 115.9598 60.9045 62.3564 176.8703 118 V 3.5212 7.7875 120.4441 65.8295 31.4815 177.3331 119 A 4.0089 8.0997 119.9782 55.3776 18.2033 179.0231 120 R 3.2835 7.9699 116.8138 59.9180 29.9840 178.4159 121 D 4.3199 8.0846 118.2722 57.1494 40.7729 178.9777 122 V 3.5661 7.9870 118.9775 66.1429 31.3339 178.2674 123 I 3.7198 7.5568 118.2691 64.1777 37.0107 177.9284 124 L 4.2059 7.6342 118.5570 57.0535 41.8167 179.0855 125 K 4.0832 8.1951 117.5636 57.6943 32.4407 177.7194 126 A 4.1190 7.3307 121.9865 52.7151 18.7007 176.8660 127 N 4.9808 8.5925 118.2848 52.8127 39.2090 174.8318 128 K 4.7133 7.6157 115.6797 53.6755 36.6332 174.2753 129 P 4.4529 0.0000 0.0000 63.3721 32.5182 175.6078 130 V 4.9118 8.2448 121.3298 61.2492 34.5507 174.4042 131 I 4.4835 9.2173 128.7050 59.7495 39.5750 174.1245 132 C 5.1786 8.6330 124.5697 57.9911 30.3553 173.3042 133 I 4.4325 8.4300 123.9095 59.2718 40.3466 176.1419 134 K 4.7757 8.5060 123.9267 56.0046 32.1084 176.6378 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 2 I 8.02 4.28 1.80 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 1.35 1.25 0.70 0.00 0.00 3 Y 7.56 4.05 0.00 3.05 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 0.00 0.00 0.00 *5 P 0.00 4.15 0.00 1.44 1.17 0.00 3.62 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 1.62 1.18 0.00 6 I 8.06 4.53 1.86 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 1.08 0.89 0.95 0.00 0.00 7 V 8.46 4.94 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 1.28 0.00 0.00 1.11 0.00 0.00 8 V 8.81 5.01 2.14 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 0.87 0.00 0.00 1.04 0.00 0.00 9 A 8.58 5.27 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 10 V 8.33 4.29 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 0.80 0.00 0.00 1.09 0.00 0.00 11 D 9.13 4.63 0.00 2.66 2.66 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 12 K 7.38 4.67 0.00 1.69 1.61 0.00 1.98 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.42 7.81 13 K 8.21 3.54 0.00 1.29 0.81 0.00 0.69 0.00 0.00 0.94 0.00 0.00 2.65 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.36 1.03 7.81 14 S 8.00 4.49 0.00 3.98 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 15 D 8.64 4.48 0.00 2.81 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 16 R 8.01 3.94 0.00 1.90 1.96 0.00 3.37 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 17 A 8.18 4.09 1.67 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 18 E 8.73 3.89 0.00 2.37 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 0.00 2.32 2.58 0.00 19 R 7.91 3.97 0.00 2.10 2.01 0.00 3.23 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 20 V 8.05 3.61 2.35 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 1.08 0.00 0.00 0.99 0.00 0.00 21 L 8.19 4.05 0.00 1.78 1.57 0.51 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.43 3.89 0.00 2.05 2.00 0.00 3.28 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 23 F 8.36 3.94 0.00 3.16 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 24 A 8.34 4.07 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 25 A 8.35 3.88 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 26 E 7.81 3.72 0.00 1.98 1.69 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 2.05 2.19 0.00 27 E 8.06 3.83 0.00 2.15 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 2.12 2.64 0.00 28 A 8.19 3.87 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 29 R 8.11 3.80 0.00 1.97 1.97 0.00 3.33 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 30 L 7.72 4.08 0.00 1.56 1.67 0.81 0.66 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 31 R 7.90 4.28 0.00 1.83 1.95 0.00 3.19 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 32 G 8.61 3.64 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 0.00 0.00 0.00 33 V 7.21 4.44 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 0.78 0.00 0.00 0.87 0.00 0.00 34 P 0.00 4.69 0.00 2.29 2.25 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 35 V 9.16 4.79 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 1.13 0.00 0.00 0.93 0.00 0.00 36 Y 9.24 5.35 0.00 3.01 2.94 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 37 V 9.07 4.68 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 0.98 0.00 0.00 0.96 0.00 0.00 38 V 8.98 5.37 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.91 0.00 0.00 39 H 8.46 5.05 0.00 3.22 3.09 0.00 5.83 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 40 S 8.36 5.16 0.00 3.85 3.60 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 41 L 8.81 4.78 0.00 1.56 1.50 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.06 0.00 2.07 2.09 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 43 G 9.06 4.04 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 0.00 0.00 0.00 44 G 7.69 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 45 G 8.66 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 0.00 0.00 0.00 46 R 7.84 4.11 0.00 1.82 2.00 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 47 T 7.63 4.01 4.38 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 1.22 0.00 0.00 48 K 8.42 4.63 0.00 1.81 1.87 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 49 D 8.45 4.37 0.00 2.80 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 50 E 8.11 4.10 0.00 2.05 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 2.39 2.45 0.00 51 D 8.02 4.41 0.00 2.85 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 52 I 7.59 3.71 2.05 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 1.53 0.85 0.91 0.00 0.00 53 I 7.62 3.70 1.86 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 1.40 0.95 0.90 0.00 0.00 54 E 8.26 3.83 0.00 2.13 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 0.00 2.24 2.26 0.00 55 A 8.18 3.82 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 56 K 8.23 3.99 0.00 1.85 1.87 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.62 7.81 57 E 8.26 4.02 0.00 2.22 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 2.34 2.35 0.00 58 T 8.20 4.00 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 1.33 0.00 0.00 59 L 7.94 4.07 0.00 1.90 1.74 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.17 4.48 0.00 4.00 4.07 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 61 W 8.50 4.18 0.00 3.45 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 62 A 8.32 3.23 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 63 V 7.89 3.51 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 1.08 0.00 0.00 0.95 0.00 0.00 64 S 7.89 4.09 0.00 4.08 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 0.00 65 I 7.11 3.46 1.58 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.12 0.72 0.00 0.00 66 I 7.39 3.61 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.80 0.92 0.00 0.00 67 R 7.87 4.33 0.00 1.95 1.94 0.00 3.12 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 68 K 8.11 3.92 0.00 1.87 1.84 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 69 E 8.08 4.37 0.00 2.05 1.92 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 2.40 2.41 0.00 70 G 8.20 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.84 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 72 E 8.59 4.44 0.00 2.00 1.88 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 2.35 2.35 0.00 73 G 8.54 4.60 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 0.00 0.00 0.00 74 E 9.26 4.93 0.00 1.86 1.69 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 2.22 2.38 0.00 75 E 8.67 4.74 0.00 1.88 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 0.00 2.37 2.31 0.00 76 H 9.33 4.75 0.00 2.62 2.91 0.00 5.61 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.41 4.56 0.00 1.63 1.54 0.98 0.98 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 78 L 8.91 4.63 0.00 1.60 1.51 0.71 0.59 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 79 V 8.42 5.21 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 0.73 0.00 0.00 0.93 0.00 0.00 80 R 8.05 4.49 0.00 1.81 1.87 0.00 3.42 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 81 G 8.15 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 82 K 7.78 4.66 0.00 1.73 1.72 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.57 7.81 83 E 8.31 4.30 0.00 1.98 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 2.39 2.34 0.00 84 P 0.00 4.31 0.00 2.14 2.09 0.00 3.87 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 2.11 2.04 0.00 85 P 0.00 4.24 0.00 2.15 2.23 0.00 3.54 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 2.11 2.17 0.00 86 D 8.09 4.37 0.00 2.69 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 87 D 8.26 4.35 0.00 3.04 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 88 I 8.15 3.78 1.90 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 1.41 0.78 0.97 0.00 0.00 89 V 7.99 3.63 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 1.05 0.00 0.00 0.99 0.00 0.00 90 D 8.52 4.36 0.00 2.84 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 91 F 8.75 4.34 0.00 3.25 3.30 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 92 A 8.26 3.98 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.11 4.36 0.00 2.86 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 94 E 8.28 3.93 0.00 1.98 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 2.31 2.42 0.00 95 V 7.21 3.95 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 0.14 0.00 0.00 0.70 0.00 0.00 96 D 7.56 4.20 0.00 2.66 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 97 A 8.15 4.26 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 98 I 8.81 4.07 1.85 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 1.16 0.56 0.91 0.00 0.00 99 A 7.65 4.63 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 0.00 100 I 8.30 4.93 1.90 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 1.17 0.89 0.96 0.00 0.00 101 V 8.88 4.94 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 1.16 0.00 0.00 1.04 0.00 0.00 102 I 8.82 4.97 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.94 0.00 0.00 103 G 8.68 4.43 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 0.00 104 I 8.66 4.85 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.84 0.88 0.00 0.00 105 R 8.59 4.00 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 106 K 8.56 4.12 0.00 1.66 1.71 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.49 7.81 107 R 8.22 4.57 0.00 1.69 1.75 0.00 3.26 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 108 S 8.41 4.34 0.00 3.96 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 0.00 109 P 0.00 4.69 0.00 2.05 2.00 0.00 3.61 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 2.00 2.04 0.00 110 T 8.21 4.59 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 0.00 111 G 9.93 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 0.00 0.00 0.00 112 K 7.43 4.17 0.00 1.88 1.88 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.31 7.81 113 L 8.24 4.39 0.00 1.53 1.56 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.87 4.54 1.91 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 1.41 0.66 0.92 0.00 0.00 115 F 8.66 4.40 0.00 3.09 3.01 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 0.00 0.00 0.00 116 G 8.66 3.88 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 0.00 0.00 0.00 117 S 8.70 4.15 0.00 3.93 3.89 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 0.00 118 V 7.79 3.52 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 1.08 0.00 0.00 0.95 0.00 0.00 119 A 8.10 4.01 1.50 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 0.00 0.00 120 R 7.97 3.28 0.00 1.66 2.11 0.00 3.07 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 0.00 121 D 8.08 4.32 0.00 2.80 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 0.00 122 V 7.99 3.57 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 1.05 0.00 0.00 0.96 0.00 0.00 123 I 7.56 3.72 1.80 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 1.52 0.75 0.85 0.00 0.00 124 L 7.63 4.21 0.00 1.55 1.65 0.80 0.78 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 0.00 125 K 8.20 4.08 0.00 1.91 1.86 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.42 7.81 126 A 7.33 4.12 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 0.00 127 N 8.59 4.98 0.00 2.90 2.81 0.00 0.00 6.75 7.61 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 0.00 128 K 7.62 4.71 0.00 1.68 1.65 0.00 1.90 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.38 7.81 129 P 0.00 4.45 0.00 2.09 2.00 0.00 3.67 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 2.22 2.11 0.00 130 V 8.24 4.91 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 0.83 0.00 0.00 0.97 0.00 0.00 131 I 9.22 4.48 1.88 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 0.67 0.00 0.00 132 C 8.63 5.18 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 0.00 133 I 8.43 4.43 1.83 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.95 0.88 0.00 0.00 134 K 8.51 4.78 0.00 1.72 1.69 0.00 1.90 0.00 0.00 0.86 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.30 7.81 * Residues marked with a * may have inaccurate shift predictions.