NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3451 8.3349 115.2851 57.9444 63.5548 172.7231 4 L 4.3136 8.3622 127.0083 53.2972 42.7260 174.1919 5 E 4.2269 9.0654 121.3022 58.2224 31.2771 174.2058 6 K 4.7376 7.6476 117.3625 52.6700 35.7705 178.2451 7 V 4.4522 8.1743 120.9224 60.8461 33.4199 175.7382 8 L 4.3120 8.5549 126.6584 57.0485 42.4307 176.6236 9 Y 4.7887 7.5762 117.5944 56.2425 41.7777 173.3125 10 T 4.0328 7.2203 121.9121 61.3070 70.9773 173.5683 11 A 4.2100 7.9834 129.1253 50.9428 19.7083 176.2686 12 I 4.6946 8.0993 121.4658 59.6850 40.9553 174.9644 13 V 4.9899 8.4089 118.4243 60.0484 36.3513 174.7462 14 T 4.6694 9.0048 118.4250 61.8614 71.6929 172.9695 15 A 5.4111 8.7398 128.0365 50.4426 21.7015 175.6763 16 T 4.4357 8.8245 110.3268 61.6748 72.1063 173.5609 17 G 4.1199 8.7748 115.6728 46.1521 0.0000 172.5366 18 G 4.0122 7.8490 105.7987 43.6900 0.0000 175.6820 19 R 4.0645 8.5638 120.3544 58.0449 30.4508 176.1013 20 D 5.4097 7.3274 116.9250 52.8186 42.6554 174.8937 21 G 4.2775 7.8637 110.7338 45.3172 0.0000 172.7106 22 S 5.2658 9.2071 117.9377 56.9112 67.4469 173.7307 23 V 4.9096 8.6859 119.5130 61.4306 35.1611 173.9635 24 V 5.0397 8.7201 126.8526 61.0034 34.7862 175.0516 25 S 4.9108 9.3914 123.1345 57.8951 64.0042 175.5538 26 S 4.1476 9.3128 116.5427 60.5237 62.7508 174.8084 27 D 4.7507 7.9974 118.8876 52.4561 39.3400 176.3103 28 N 4.2284 8.4424 114.7479 54.3510 37.2580 175.7152 29 V 3.6150 8.2113 112.4860 63.5194 31.8911 175.7250 30 L 4.4431 8.3667 123.9285 53.5993 43.0115 175.0992 31 N 5.2954 8.7111 125.2621 51.7033 40.3898 173.2994 32 V 4.6497 8.8804 118.0200 59.1480 36.3960 174.5499 33 K 5.0075 8.5036 121.0472 54.9263 34.7065 175.3055 34 L 5.4405 9.0688 123.6889 53.0725 44.6804 175.7157 35 S 4.7495 8.7452 116.3452 56.5372 66.6429 173.4940 36 V 4.0152 8.2146 121.7384 61.3152 32.5956 173.9376 37 P 4.6443 0.0000 0.0000 62.4404 32.0939 177.4007 38 Q 4.8195 8.2108 119.1693 58.5373 28.8625 179.4367 39 G 3.6100 8.1416 105.7764 47.9165 0.0000 173.8788 40 L 4.4622 7.9675 118.5779 54.4616 41.6245 177.4675 41 G 3.8764 8.3857 106.3247 45.6490 0.0000 174.5990 42 G 3.9126 7.5649 109.1674 43.9599 0.0000 172.5596 43 P 4.4397 0.0000 0.0000 62.1750 31.8580 178.2269 44 G 3.7094 7.5852 108.2895 46.0227 0.0000 172.6675 45 G 4.0655 7.9463 106.4836 44.2541 0.0000 173.0193 46 S 4.5769 8.2137 113.9543 57.9522 63.3565 174.2126 47 G 3.9229 7.4493 108.7484 46.2728 0.0000 174.6115 48 T 4.6845 8.4323 116.1636 62.0188 70.6268 172.6307 49 N 5.0826 8.4468 115.6026 50.6442 40.4490 173.7858 50 P 4.2848 0.0000 0.0000 65.9499 31.2862 178.8226 51 E 4.1690 8.2126 116.7658 59.5610 29.3781 179.2964 52 Q 4.0473 8.8920 118.5510 58.8175 28.7748 178.7152 53 L 4.0080 8.0942 120.0548 57.7659 41.6113 179.4036 54 F 4.4452 8.8223 120.7446 61.3434 39.3032 176.8302 55 A 3.6785 8.5276 120.6273 55.0394 18.1086 179.4316 56 A 3.9753 8.3677 119.5247 55.3067 18.3037 180.1318 57 G 3.3923 7.7911 102.7070 47.9168 0.0000 174.9837 58 Y 3.9854 7.9357 122.6688 60.2856 38.6929 178.1923 59 S 4.1222 8.2357 115.1665 61.3605 63.1118 176.9805 60 A 4.1581 7.8631 121.3697 52.5536 17.9414 178.7153 *62 F 4.6631 8.0588 124.8978 59.7423 41.5142 177.2979 63 I 3.8694 7.9265 121.6061 64.3752 36.7958 178.6246 64 G 3.5806 7.8373 105.0414 47.6455 0.0000 175.5783 65 A 4.0415 7.8295 122.6370 54.8411 18.2905 179.6197 66 L 3.7841 7.9200 117.5902 57.9045 41.7564 179.7388 67 K 3.8954 8.2077 118.5746 59.4126 31.8821 178.9987 68 F 4.0972 8.6044 121.1090 61.5991 39.3339 177.6348 69 V 3.2749 7.9299 111.6839 64.0518 31.3082 178.4932 70 A 3.8996 8.1607 120.8453 55.1035 18.2352 179.1670 71 N 4.1137 8.0534 115.4954 56.7404 38.8256 176.9096 72 K 3.7124 7.5543 119.8859 59.2818 32.2909 177.7058 73 E 4.2232 8.3367 118.5093 56.0510 29.9191 177.0072 74 K 3.8071 7.9044 119.5841 55.8134 29.5752 180.9245 75 V 4.2893 8.0686 120.5639 61.3857 32.9098 174.6232 76 D 4.4433 8.5872 128.0877 53.7756 40.8555 176.1540 77 L 4.1690 8.4724 125.3981 53.7301 41.8362 176.2872 78 P 4.0977 0.0000 0.0000 64.6487 31.6092 175.9433 79 A 4.6769 7.2238 120.2582 50.1501 22.2622 175.5483 80 E 4.0705 8.6309 119.8884 55.7416 29.9302 175.7258 81 P 4.6394 0.0000 0.0000 62.7803 32.4202 175.5110 82 R 4.6139 9.0134 123.9365 54.5865 32.4112 174.8093 83 V 4.6954 8.3275 125.4899 61.0820 34.1321 174.0956 84 E 4.2860 9.2699 130.7379 55.2032 30.4922 174.9344 85 G 4.2397 8.5060 114.6283 44.8423 0.0000 172.5437 86 R 4.7508 8.9097 122.2213 54.0203 34.3561 174.5158 87 V 4.7242 8.4693 122.5085 61.2070 33.9639 174.7122 88 G 4.2711 9.1399 115.8404 44.7641 0.0000 171.8685 89 I 5.1950 8.2747 121.4734 59.1279 41.1400 174.4150 90 G 4.3858 8.9771 114.9822 45.0530 0.0000 171.1221 91 E 4.6204 8.6988 119.4376 55.9135 30.4549 176.6632 92 I 4.5483 8.4602 116.0160 58.2145 41.0829 172.4093 93 P 4.2550 0.0000 0.0000 66.1658 30.5843 176.6266 94 G 4.1715 8.9295 111.6964 44.6387 0.0000 173.3587 95 G 4.2753 6.4335 109.7456 45.7181 0.0000 175.3531 96 F 5.3257 8.7884 120.3378 55.3430 42.5714 172.9559 97 G 4.3938 9.5024 107.1923 44.8953 0.0000 171.3583 98 L 5.6753 8.5940 119.5337 52.8741 44.7781 176.4446 99 V 4.6568 8.7845 119.5582 60.1113 35.2510 174.3224 100 V 4.8200 8.9197 122.4854 61.1926 34.8196 174.0613 101 E 4.8334 9.2717 126.1765 54.5672 33.1828 174.4979 102 L 4.7243 8.8044 125.4777 52.8886 44.2736 175.7921 103 R 4.8766 8.7960 124.3959 54.7626 31.9518 175.2727 104 I 4.9605 8.8829 125.9304 59.4267 39.7485 174.7829 105 A 5.0278 9.0496 128.4735 50.1948 22.0912 175.0935 106 V 4.4211 8.2845 121.8101 60.4865 33.8091 174.1119 107 S 4.2587 8.5514 121.8445 59.6095 62.6977 174.6452 108 G 3.9473 9.0647 115.9251 45.2613 0.0000 172.5535 109 M 4.4240 7.4091 119.4819 53.7428 33.5366 176.1245 110 E 4.1001 8.5891 125.2936 56.4759 31.5199 178.3390 111 R 3.9482 8.6741 122.3495 59.4388 30.2008 179.4186 112 S 4.1139 8.0276 113.4671 61.7864 62.8677 176.2177 113 M 4.0009 7.9363 121.4980 58.0348 32.0917 177.7080 114 L 3.9298 8.2776 120.9650 58.0845 42.2009 178.5460 115 Q 3.9655 8.6473 119.7985 59.6573 29.0010 178.5671 116 T 3.8879 7.8673 116.5017 66.7801 68.5226 176.6619 117 L 4.0226 8.1748 120.9715 57.6455 41.5488 179.7174 118 V 3.7625 8.5282 118.5841 66.2317 31.2921 177.8421 119 D 4.4700 8.3435 117.8178 57.3697 41.0431 178.6799 120 K 4.1703 8.2995 118.8031 59.3962 32.0158 179.2730 121 A 3.9475 8.5275 121.5258 55.4242 17.9874 179.1904 122 H 4.6012 8.5189 115.9536 59.4353 29.9847 177.3762 123 R 4.1436 7.8695 119.1064 58.1733 30.0687 177.6393 124 V 4.1003 7.6079 109.3674 61.4120 33.0312 175.5108 125 C 4.2490 8.2871 122.0160 58.6622 31.8375 172.0715 126 P 4.1012 0.0000 0.0000 66.2171 30.7220 178.1257 127 Y 3.7190 7.8002 114.5288 60.5133 37.7979 178.1903 128 S 4.9243 7.8575 117.4002 61.1386 62.9281 176.1666 129 N 4.3819 8.3304 118.3963 56.1471 38.3225 177.0914 130 A 4.0974 8.0446 121.8936 54.4005 18.7943 178.7200 131 T 4.4724 7.6615 106.0851 60.1871 69.3881 174.3945 132 R 3.9864 7.1057 122.0102 58.3357 30.1591 176.7167 133 G 4.0242 8.9244 112.3772 46.0445 0.0000 173.4492 134 N 4.6984 8.2373 116.5093 54.2123 39.5659 175.0495 135 I 4.7760 7.2771 108.4667 58.8607 41.0764 173.7977 136 D 4.6493 8.5546 120.9138 53.9591 42.1115 175.5715 137 V 4.6388 8.4783 123.4619 61.2331 33.5326 174.6749 138 V 4.0821 8.9088 129.8061 61.5639 32.9896 174.5844 139 L 4.7603 8.3987 128.5667 53.5987 42.6480 175.8427 140 I 4.4661 8.7600 125.8429 59.2869 39.9938 174.9199 141 L 4.9789 8.5154 127.0169 53.7379 42.4595 176.0347 142 I 4.4752 8.7621 117.5575 59.7995 40.8158 175.5852 143 D 4.8826 8.6393 121.2151 54.7147 40.1040 174.8111 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 3 S 8.33 4.35 0.00 3.83 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 4 L 8.36 4.31 0.00 1.70 1.56 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.07 4.23 0.00 1.99 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 2.21 1.87 0.00 6 K 7.65 4.74 0.00 1.70 1.52 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.97 7.81 7 V 8.17 4.45 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 0.96 0.00 0.00 0.90 0.00 0.00 8 L 8.55 4.31 0.00 1.73 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.58 4.79 0.00 2.92 2.78 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 10 T 7.22 4.03 3.98 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 0.00 0.00 1.06 0.00 0.00 11 A 7.98 4.21 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 12 I 8.10 4.69 1.84 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 1.27 0.95 0.89 0.00 0.00 13 V 8.41 4.99 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 0.75 0.00 0.00 0.94 0.00 0.00 14 T 9.00 4.67 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 15 A 8.74 5.41 1.19 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 0.00 0.00 16 T 8.82 4.44 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 17 G 8.77 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 18 G 7.85 4.01 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 0.00 0.00 0.00 19 R 8.56 4.06 0.00 1.77 1.96 0.00 3.04 0.00 0.00 3.04 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 D 7.33 5.41 0.00 2.57 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 21 G 7.86 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 0.00 0.00 0.00 0.00 22 S 9.21 5.27 0.00 3.93 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 23 V 8.69 4.91 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 0.92 0.00 0.00 0.93 0.00 0.00 24 V 8.72 5.04 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 1.04 0.00 0.00 0.97 0.00 0.00 25 S 9.39 4.91 0.00 3.94 4.01 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 26 S 9.31 4.15 0.00 3.96 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 27 D 8.00 4.75 0.00 2.79 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 28 N 8.44 4.23 0.00 2.89 2.97 0.00 0.00 6.91 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 29 V 8.21 3.61 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 0.71 0.00 0.00 1.05 0.00 0.00 30 L 8.37 4.44 0.00 1.76 1.58 0.94 0.34 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 31 N 8.71 5.30 0.00 2.88 2.67 0.00 0.00 7.01 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 32 V 8.88 4.65 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 0.74 0.00 0.00 0.94 0.00 0.00 33 K 8.50 5.01 0.00 1.66 1.69 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.39 7.81 34 L 9.07 5.44 0.00 1.67 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.75 4.75 0.00 3.97 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 36 V 8.21 4.02 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 0.93 0.00 0.00 0.95 0.00 0.00 37 P 0.00 4.64 0.00 2.20 1.95 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 38 Q 8.21 4.82 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.33 0.00 39 G 8.14 3.61 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 0.00 40 L 7.97 4.46 0.00 1.72 1.58 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.39 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 42 G 7.56 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 43 P 0.00 4.44 0.00 2.19 2.15 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 44 G 7.59 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 45 G 7.95 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 0.00 0.00 0.00 46 S 8.21 4.58 0.00 3.98 3.96 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 0.00 0.00 0.00 0.00 47 G 7.45 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 0.00 0.00 0.00 48 T 8.43 4.68 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 1.26 0.00 0.00 49 N 8.45 5.08 0.00 2.83 2.86 0.00 0.00 5.98 7.76 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 50 P 0.00 4.28 0.00 2.18 2.15 0.00 3.59 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 2.09 2.18 0.00 51 E 8.21 4.17 0.00 2.26 2.18 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 2.44 2.55 0.00 52 Q 8.89 4.05 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 53 L 8.09 4.01 0.00 1.93 1.77 0.96 0.83 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 54 F 8.82 4.45 0.00 3.04 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 55 A 8.53 3.68 1.32 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 56 A 8.37 3.98 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 57 G 7.79 3.39 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 58 Y 7.94 3.99 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.12 0.00 4.16 4.01 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 60 A 7.86 4.16 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 *62 F 8.06 4.66 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 63 I 7.93 3.87 2.09 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 1.52 0.71 0.94 0.00 0.00 64 G 7.84 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 0.00 0.00 0.00 65 A 7.83 4.04 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 66 L 7.92 3.78 0.00 1.86 1.70 1.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.21 3.90 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 68 F 8.60 4.10 0.00 3.10 3.25 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 69 V 7.93 3.27 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 0.89 0.00 0.00 0.99 0.00 0.00 70 A 8.16 3.90 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 71 N 8.05 4.11 0.00 2.70 2.88 0.00 0.00 6.91 6.41 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 72 K 7.55 3.71 0.00 1.08 1.58 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.32 7.81 73 E 8.34 4.22 0.00 1.92 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 2.46 2.42 0.00 74 K 7.90 3.81 0.00 1.94 1.75 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.23 7.81 75 V 8.07 4.29 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 0.94 0.00 0.00 0.96 0.00 0.00 76 D 8.59 4.44 0.00 2.70 2.59 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 77 L 8.47 4.17 0.00 1.74 1.82 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.10 0.00 2.29 2.18 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 79 A 7.22 4.68 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 80 E 8.63 4.07 0.00 1.97 1.93 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 2.32 2.28 0.00 81 P 0.00 4.64 0.00 1.98 2.03 0.00 3.66 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 2.04 2.10 0.00 82 R 9.01 4.61 0.00 1.82 1.76 0.00 3.18 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 83 V 8.33 4.70 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 0.72 0.00 0.00 1.08 0.00 0.00 84 E 9.27 4.29 0.00 2.03 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 2.20 2.21 0.00 85 G 8.51 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 0.00 0.00 0.00 0.00 86 R 8.91 4.75 0.00 1.68 1.72 0.00 3.17 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 87 V 8.47 4.72 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 1.08 0.00 0.00 0.72 0.00 0.00 88 G 9.14 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 89 I 8.27 5.20 1.92 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 1.39 1.27 0.92 0.00 0.00 90 G 8.98 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 91 E 8.70 4.62 0.00 1.77 1.64 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 1.79 2.26 0.00 92 I 8.46 4.55 1.86 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 1.18 0.76 0.92 0.00 0.00 93 P 0.00 4.25 0.00 2.04 2.05 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 94 G 8.93 4.17 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 0.00 0.00 0.00 95 G 6.43 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 0.00 0.00 0.00 0.00 96 F 8.79 5.33 0.00 2.88 3.04 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 97 G 9.50 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 98 L 8.59 5.68 0.00 1.66 1.75 0.96 0.97 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 99 V 8.78 4.66 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 0.91 0.00 0.00 1.01 0.00 0.00 100 V 8.92 4.82 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 0.42 0.00 0.00 1.02 0.00 0.00 101 E 9.27 4.83 0.00 1.75 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 2.14 2.19 0.00 102 L 8.80 4.72 0.00 0.95 1.00 -0.40 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.80 4.88 0.00 1.78 1.80 0.00 3.23 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 104 I 8.88 4.96 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 1.01 0.00 0.00 105 A 9.05 5.03 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 0.00 106 V 8.28 4.42 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 1.03 0.00 0.00 0.95 0.00 0.00 107 S 8.55 4.26 0.00 3.87 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 0.00 108 G 9.06 3.95 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 0.00 0.00 0.00 109 M 7.41 4.42 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 110 E 8.59 4.10 0.00 2.02 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 2.40 2.35 0.00 111 R 8.67 3.95 0.00 1.82 1.99 0.00 3.30 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 112 S 8.03 4.11 0.00 4.05 4.13 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 0.00 113 M 7.94 4.00 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 114 L 8.28 3.93 0.00 1.78 1.81 0.96 0.60 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 0.00 115 Q 8.65 3.97 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 116 T 7.87 3.89 4.41 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 1.22 0.00 0.00 117 L 8.17 4.02 0.00 1.82 1.71 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.53 3.76 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 1.26 0.00 0.00 1.08 0.00 0.00 119 D 8.34 4.47 0.00 2.86 2.78 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 0.00 120 K 8.30 4.17 0.00 1.99 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.65 7.81 121 A 8.53 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.52 4.60 0.00 3.56 3.68 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.87 4.14 0.00 2.05 2.01 0.00 3.23 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 124 V 7.61 4.10 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 0.77 0.00 0.00 1.08 0.00 0.00 125 C 8.29 4.25 0.00 3.22 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 0.00 126 P 0.00 4.10 0.00 1.86 1.87 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 127 Y 7.80 3.72 0.00 2.37 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 0.00 0.00 0.00 0.00 128 S 7.86 4.92 0.00 4.25 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 0.00 129 N 8.33 4.38 0.00 2.76 2.84 0.00 0.00 7.03 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 0.00 130 A 8.04 4.10 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 0.00 131 T 7.66 4.47 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 1.45 0.00 0.00 132 R 7.11 3.99 0.00 2.03 1.95 0.00 3.42 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 1.67 1.69 0.00 133 G 8.92 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 0.00 134 N 8.24 4.70 0.00 2.91 2.91 0.00 0.00 6.68 6.78 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 0.00 135 I 7.28 4.78 2.12 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 1.02 0.00 0.00 136 D 8.55 4.65 0.00 2.65 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 0.00 137 V 8.48 4.64 2.18 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 0.59 0.00 0.00 1.16 0.00 0.00 138 V 8.91 4.08 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 0.77 0.00 0.00 0.90 0.00 0.00 139 L 8.40 4.76 0.00 1.48 1.50 0.78 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.76 4.47 1.79 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 1.17 0.57 0.87 0.00 0.00 141 L 8.52 4.98 0.00 1.52 1.60 1.00 0.82 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 0.00 142 I 8.76 4.48 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.88 0.00 0.00 143 D 8.64 4.88 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.