NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.2846 8.3293 119.6964 56.0273 30.0438 173.6302 10 S 4.5416 8.1811 110.2887 57.3254 65.2197 172.4118 11 Q 5.1111 8.2923 122.2505 53.1041 31.5606 175.6279 12 F 4.7268 8.5341 124.5879 55.7632 42.6773 175.3222 13 F 4.6694 9.1049 121.7742 55.9956 41.3405 176.2493 14 I 3.6752 8.7524 118.3528 64.8251 37.1120 177.2351 15 E 4.0117 8.2316 117.9032 59.9180 29.7207 178.6437 16 H 4.8008 8.2082 115.5981 58.9458 28.8985 177.6739 17 I 3.9673 8.1488 121.7292 64.5416 36.6898 178.4450 18 L 4.0326 7.9359 118.8643 57.6995 41.4273 178.9002 19 Q 4.2126 8.1598 115.9501 56.8984 28.6072 177.2867 20 I 3.7041 7.4080 119.1832 62.3777 38.9531 176.0535 21 L 4.3565 7.7844 119.3449 53.2356 42.2903 175.5415 22 P 4.3548 0.0000 0.0000 65.0168 31.9432 176.6656 23 H 4.0863 8.2511 115.9166 56.4616 29.0807 174.2506 24 R 4.7595 8.1296 120.5367 54.0240 34.3009 173.6680 25 Y 4.3072 8.5946 119.9588 57.7220 39.0899 174.0642 26 P 3.9409 0.0000 0.0000 63.2002 31.8975 175.6898 27 M 4.5043 8.6258 115.9032 55.8412 33.3424 175.8490 28 L 4.5202 7.8636 121.6419 54.0882 41.5317 176.1797 29 L 4.7744 8.9289 129.9785 54.0515 42.2616 177.5681 30 V 4.4004 7.5598 117.8793 61.7115 33.8775 173.8021 31 D 4.6127 8.5558 127.6636 56.2279 41.9530 176.8706 32 R 4.4739 7.0093 115.7078 55.1968 33.8115 173.5638 33 I 4.7800 8.4787 125.5524 59.9268 39.1283 176.2484 34 T 4.3265 8.7678 117.1300 62.6468 70.4999 174.9768 35 E 4.7948 8.5259 121.6503 54.6477 34.2556 174.4272 36 L 5.0742 8.5627 125.5406 53.9658 45.4220 174.9081 37 Q 4.6041 9.2040 125.0302 53.6764 31.7645 174.7343 38 A 3.9891 8.8166 126.2304 53.9889 18.6374 177.0081 39 N 4.5257 9.3950 118.7027 54.0134 36.8305 174.0052 40 Q 4.7726 8.0186 115.0768 56.0983 31.4766 175.2414 41 K 5.1708 7.6383 115.5089 55.9639 36.9140 173.8925 42 I 5.1596 9.1016 120.8854 59.4134 42.0105 173.8675 43 V 4.9280 9.0369 128.4701 61.3010 34.2896 174.1921 44 A 5.2333 8.8294 128.9399 51.6027 23.4585 173.3694 45 Y 4.8961 8.2744 114.3263 56.4545 42.0714 173.5937 46 K 4.9196 8.8850 121.2247 54.6479 35.3943 175.4299 47 N 4.9101 9.6608 125.3833 53.3361 39.7804 174.6854 48 I 4.5976 8.4580 122.0938 59.9952 39.1918 174.6682 49 T 4.8070 9.3253 121.8918 59.8908 70.3731 174.7641 50 F 3.9768 8.9748 127.8959 61.0378 39.7072 176.3898 51 N 4.7246 7.5856 116.8209 53.5147 38.3173 174.1096 52 E 4.8067 8.0503 115.6297 53.7353 32.7062 176.7022 53 D 4.3143 8.9215 122.2844 57.6719 41.2241 178.5888 54 V 3.3714 7.6610 118.0023 66.1933 31.0261 177.5251 55 F 4.5504 7.4426 115.0659 59.4937 38.7478 176.8736 56 N 4.6960 8.3950 116.8078 55.1034 38.3500 175.7820 57 G 4.1494 7.6902 105.4080 45.2881 0.0000 173.1424 58 H 3.7907 7.6647 119.2443 53.8328 30.0435 171.5295 59 F 5.2743 9.3284 121.8492 53.9570 43.1947 173.0018 60 P 4.4975 0.0000 0.0000 64.4625 31.3246 176.6904 61 N 4.3783 9.4431 118.2969 53.8276 36.7589 175.2859 62 K 4.6013 8.2474 120.4237 54.2027 33.0775 171.0601 63 P 5.0896 0.0000 0.0000 62.8288 32.1110 176.8028 64 I 4.8407 8.8481 126.3282 58.9389 39.8151 175.6310 65 F 4.2015 9.5532 131.2797 57.5700 39.9668 173.3734 66 P 3.8721 0.0000 0.0000 62.6961 31.6997 177.4169 67 G 3.2351 8.4858 109.6836 47.9590 0.0000 176.1381 68 V 3.7773 7.4947 113.8134 63.8595 31.6031 178.1575 69 L 4.0805 7.5717 118.5067 56.8884 41.4590 179.3369 70 I 4.1639 7.6581 120.0174 64.4454 37.1332 178.2741 71 V 3.6381 7.8039 119.2411 65.8881 31.2742 177.7191 72 E 3.8409 8.1306 119.2001 58.9885 29.3831 179.0689 73 G 3.4864 7.9952 107.1639 47.3281 0.0000 175.5770 74 M 3.6324 7.7412 120.9958 57.8470 31.8925 178.6260 75 A 3.5998 7.8975 121.1123 55.2714 18.4002 179.7591 76 Q 3.8883 8.0763 116.8028 59.0931 28.6813 179.2766 77 S 4.1780 8.0013 116.6317 61.3253 62.8532 176.8857 78 G 3.8174 8.5581 109.0405 47.8803 0.0000 175.9662 79 G 3.7738 8.6077 108.7424 47.3819 0.0000 175.6098 80 F 4.0048 8.2765 122.9277 60.8098 39.3390 176.9694 81 L 4.0064 8.3701 121.1059 57.5986 41.9746 178.4706 82 A 2.5800 8.0357 120.7813 54.6832 18.0877 179.0022 83 F 3.7575 7.9099 118.7124 61.8236 39.5652 177.5992 84 T 3.9481 8.1654 109.3672 64.8579 68.0749 176.4421 85 S 4.1938 7.7332 117.7093 61.3241 62.8825 176.2247 86 L 3.6725 7.0678 120.6823 56.3673 41.3861 177.8602 87 W 4.6811 7.1147 113.7696 55.0209 31.2050 177.1909 88 G 3.8719 7.9005 108.1372 45.0569 0.0000 174.2196 89 F 4.4855 8.8074 119.8432 57.3243 37.9147 174.3091 90 D 4.6123 7.9590 124.1970 50.1167 41.8178 173.8739 91 P 4.1860 0.0000 0.0000 64.3045 31.2050 177.5662 92 E 3.8394 7.9184 116.5184 59.4834 29.9204 178.5795 93 I 3.6571 8.2034 119.6713 64.0103 37.1829 178.0904 94 A 3.4513 8.1041 121.9092 55.0629 17.8150 179.7899 95 K 3.9335 7.5497 116.0446 58.7396 32.3160 177.8167 96 T 4.4334 7.6502 108.4372 61.1740 69.8733 174.2422 97 K 5.1685 7.7352 120.6376 54.9781 35.9607 175.3730 98 I 4.4362 8.2847 113.8479 59.5586 41.3220 174.3061 99 V 4.5376 8.1220 124.3723 61.2844 32.8662 174.0052 100 Y 4.5076 8.5486 126.8000 57.7019 39.0896 174.8807 101 F 4.5046 8.9832 123.5685 57.0225 39.4093 175.5854 102 M 4.4825 9.2324 125.3048 57.7392 32.8828 176.5589 103 T 4.9082 7.8302 106.4382 60.4220 73.1618 172.8572 104 I 5.1760 8.1522 121.3444 60.2068 41.1591 174.3001 105 D 4.6793 9.3361 125.1011 52.3746 46.3509 174.8440 106 K 3.9339 8.4411 116.1097 57.3769 29.8339 174.9970 107 V 4.9926 7.4338 116.1866 59.9927 33.3909 176.1176 108 K 4.5396 8.0283 122.0656 54.6336 36.6461 174.8189 109 F 5.0988 8.8843 122.5485 56.2566 40.1982 175.3297 110 R 4.5366 9.0610 122.9947 57.1971 31.7166 177.3995 111 I 4.6737 7.6237 118.0386 58.3480 40.7707 173.2194 112 P 4.5581 0.0000 0.0000 63.1828 32.1070 175.4892 113 V 4.7842 8.5295 121.0466 61.6416 34.1853 174.4427 114 T 5.1668 9.0535 116.4116 58.9726 73.0581 171.3536 115 P 4.5347 0.0000 0.0000 64.3907 31.5225 176.8527 116 G 4.0729 9.5060 112.1942 45.2623 0.0000 173.5578 117 D 4.5614 8.1322 120.1349 53.8655 42.5563 175.9910 118 R 4.5566 8.3239 123.0728 54.5971 30.4028 174.6880 119 L 4.1294 8.4515 128.6168 54.5183 43.0415 174.7745 120 E 4.8214 9.1035 129.3928 54.8653 31.3904 174.1970 121 Y 5.0030 9.0452 126.0830 57.5361 40.0649 174.4390 122 H 5.1305 9.8321 121.1483 54.1749 31.6687 172.5242 123 L 5.5362 8.9445 123.2977 52.8170 45.9631 175.7607 124 E 5.2065 9.2259 118.7129 54.5304 33.6965 174.5603 125 V 4.2320 8.8028 122.3197 63.2626 31.3714 175.7815 126 L 4.4729 9.2327 128.8712 56.3353 42.9303 177.0248 127 K 4.2547 7.5974 116.0727 55.9244 35.5322 173.7736 128 H 4.7675 8.6396 125.9656 54.7135 32.3613 172.7739 129 K 4.2314 8.4952 126.1776 55.1125 35.2867 176.7010 130 G 3.7262 8.0181 114.9913 47.4358 0.0000 174.5087 131 M 4.4314 8.6262 124.4004 55.6841 32.5434 174.8779 132 I 4.9157 7.7657 121.9064 59.8666 39.0659 174.6570 133 W 5.0918 9.4871 127.6635 54.8311 32.1000 174.2500 134 Q 5.1836 9.6106 127.1393 54.4105 30.3877 174.5397 135 V 5.1054 9.5954 127.3808 60.2970 34.7807 174.8386 136 G 4.2222 8.4733 108.1061 45.0050 0.0000 173.2895 137 G 4.1837 7.5579 106.9958 46.2431 0.0000 171.1949 138 T 5.2855 8.3707 111.2145 60.1648 73.4210 172.8546 139 A 5.2866 9.2087 123.4545 50.3235 21.6966 175.5384 140 Q 5.1195 9.5069 121.1482 54.0728 33.5596 174.9870 141 V 4.5494 8.2485 120.5099 61.4286 34.6967 175.0506 142 D 4.3458 9.7380 129.3762 55.3549 39.3828 174.3054 143 G 3.9969 8.1928 105.3368 45.3806 0.0000 173.4483 144 K 4.4238 7.6519 119.8683 54.3302 33.5874 176.0701 145 V 4.0670 8.3144 123.3773 63.2662 31.8766 175.4604 146 V 4.2778 9.0456 127.4521 64.3019 33.3801 174.9389 147 A 5.4721 7.9175 119.5455 52.1235 22.5661 174.7594 148 E 5.0967 7.9437 115.4734 55.3100 33.4814 173.8931 149 A 4.9614 8.1070 120.0246 52.3180 23.4912 174.9712 150 E 5.1563 8.9109 118.8657 54.7085 33.1250 175.5188 151 L 5.3402 9.7708 122.8121 53.1126 46.8642 175.1234 152 K 5.3050 9.1831 122.6397 54.7607 35.3521 174.8306 153 A 5.0595 9.2497 128.0475 50.2251 23.3268 173.9561 154 M 5.2955 9.1524 118.4761 53.9147 35.3736 174.5848 155 I 4.8070 8.9931 126.9675 60.8120 38.6983 174.8946 156 A 4.7611 8.6414 126.5021 50.4326 23.4822 174.4875 157 E 4.4683 8.6296 120.5222 55.5979 30.2268 176.4776 158 R 3.9048 8.8050 130.4979 56.9533 31.3698 176.8994 *159 E 4.1402 8.4260 116.6516 56.1192 30.4741 175.7300 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 9 Q 8.33 4.28 0.00 1.20 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 10 S 8.18 4.54 0.00 3.89 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 11 Q 8.29 5.11 0.00 1.85 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.71 0.00 0.00 0.00 0.00 0.00 1.44 2.02 0.00 12 F 8.53 4.73 0.00 2.84 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 13 F 9.10 4.67 0.00 3.10 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 14 I 8.75 3.68 2.02 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 1.67 1.26 0.97 0.00 0.00 15 E 8.23 4.01 0.00 1.93 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 2.29 2.48 0.00 16 H 8.21 4.80 0.00 3.61 3.58 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.15 3.97 2.01 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.88 0.00 0.00 18 L 7.94 4.03 0.00 1.88 1.77 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.16 4.21 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 20 I 7.41 3.70 1.92 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.70 0.13 0.00 0.00 21 L 7.78 4.36 0.00 1.65 1.64 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.35 0.00 2.09 2.08 0.00 3.83 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 23 H 8.25 4.09 0.00 3.10 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.13 4.76 0.00 1.80 1.84 0.00 3.33 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 25 Y 8.59 4.31 0.00 2.95 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 26 P 0.00 3.94 0.00 1.64 0.81 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 27 M 8.63 4.50 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 28 L 7.86 4.52 0.00 1.74 1.65 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.93 4.77 0.00 1.63 1.80 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.56 4.40 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 0.70 0.00 0.00 0.76 0.00 0.00 31 D 8.56 4.61 0.00 2.36 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.01 4.47 0.00 1.50 0.97 0.00 3.22 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 0.00 33 I 8.48 4.78 1.89 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 0.94 0.16 0.94 0.00 0.00 34 T 8.77 4.33 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 1.33 0.00 0.00 35 E 8.53 4.79 0.00 1.92 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 2.24 2.26 0.00 36 L 8.56 5.07 0.00 1.86 1.78 1.16 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.20 4.60 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 38 A 8.82 3.99 1.30 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 0.00 0.00 39 N 9.39 4.53 0.00 2.91 3.02 0.00 0.00 6.83 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 40 Q 8.02 4.77 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 41 K 7.64 5.17 0.00 1.95 1.91 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.50 7.81 42 I 9.10 5.16 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.71 1.09 0.00 0.00 43 V 9.04 4.93 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 0.78 0.00 0.00 0.99 0.00 0.00 44 A 8.83 5.23 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 45 Y 8.27 4.90 0.00 2.94 2.90 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 46 K 8.89 4.92 0.00 2.07 1.63 0.00 1.91 0.00 0.00 1.47 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.32 1.46 7.81 47 N 9.66 4.91 0.00 2.67 2.78 0.00 0.00 6.86 7.30 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 48 I 8.46 4.60 2.01 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.11 1.07 0.00 0.00 49 T 9.33 4.81 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 1.40 0.00 0.00 50 F 8.97 3.98 0.00 2.87 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 51 N 7.59 4.72 0.00 2.86 2.88 0.00 0.00 7.00 7.53 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 52 E 8.05 4.81 0.00 2.16 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 2.40 2.62 0.00 53 D 8.92 4.31 0.00 2.84 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 54 V 7.66 3.37 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 0.61 0.00 0.00 0.51 0.00 0.00 55 F 7.44 4.55 0.00 2.93 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 56 N 8.39 4.70 0.00 2.79 2.89 0.00 0.00 6.67 7.20 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 57 G 7.69 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 58 H 7.66 3.79 0.00 2.71 2.76 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.33 5.27 0.00 3.14 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 60 P 0.00 4.50 0.00 2.12 2.09 0.00 4.01 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 61 N 9.44 4.38 0.00 2.93 2.98 0.00 0.00 6.79 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 62 K 8.25 4.60 0.00 1.83 1.80 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.55 7.81 63 P 0.00 5.09 0.00 1.69 2.18 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 64 I 8.85 4.84 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.24 1.07 0.00 0.00 65 F 9.55 4.20 0.00 3.21 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 66 P 0.00 3.87 0.00 1.60 1.43 0.00 2.31 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.23 0.00 67 G 8.49 3.24 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 68 V 7.49 3.78 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 0.94 0.00 0.00 0.76 0.00 0.00 69 L 7.57 4.08 0.00 1.08 1.42 0.39 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.66 4.16 2.35 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.46 1.18 0.00 0.00 71 V 7.80 3.64 2.28 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 1.02 0.00 0.00 1.05 0.00 0.00 72 E 8.13 3.84 0.00 2.07 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 2.24 2.27 0.00 73 G 8.00 3.49 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 0.00 0.00 0.00 74 M 7.74 3.63 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.81 0.00 75 A 7.90 3.60 0.49 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 0.00 0.00 76 Q 8.08 3.89 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 77 S 8.00 4.18 0.00 3.91 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 78 G 8.56 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 79 G 8.61 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.00 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 81 L 8.37 4.01 0.00 1.90 1.87 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.04 2.58 0.17 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 83 F 7.91 3.76 0.00 3.13 3.02 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 84 T 8.17 3.95 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 0.45 0.00 0.00 85 S 7.73 4.19 0.00 3.90 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 0.00 86 L 7.07 3.67 0.00 0.62 0.13 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.11 4.68 0.00 2.75 2.84 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 88 G 7.90 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.81 4.49 0.00 3.28 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 90 D 7.96 4.61 0.00 2.86 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 91 P 0.00 4.19 0.00 2.04 1.91 0.00 3.68 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.12 0.00 92 E 7.92 3.84 0.00 1.89 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 0.00 2.22 2.34 0.00 93 I 8.20 3.66 1.74 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 -0.03 0.00 0.00 94 A 8.10 3.45 0.75 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 95 K 7.55 3.93 0.00 1.73 1.79 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.57 7.81 96 T 7.65 4.43 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 1.10 0.00 0.00 97 K 7.74 5.17 0.00 1.62 1.73 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.15 7.81 98 I 8.28 4.44 1.55 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.06 0.75 0.00 0.00 99 V 8.12 4.54 2.01 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 0.45 0.00 0.00 0.85 0.00 0.00 100 Y 8.55 4.51 0.00 2.93 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 0.00 101 F 8.98 4.50 0.00 3.02 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 0.00 102 M 9.23 4.48 0.00 1.91 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 103 T 7.83 4.91 4.29 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 1.25 0.00 0.00 104 I 8.15 5.18 1.90 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 1.34 0.62 0.91 0.00 0.00 105 D 9.34 4.68 0.00 2.63 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 0.00 106 K 8.44 3.93 0.00 1.86 1.80 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.35 7.81 107 V 7.43 4.99 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 0.83 0.00 0.00 0.44 0.00 0.00 108 K 8.03 4.54 0.00 1.58 1.63 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.39 7.81 109 F 8.88 5.10 0.00 2.94 3.02 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 0.00 110 R 9.06 4.54 0.00 1.86 2.01 0.00 3.12 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 111 I 7.62 4.67 1.93 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 1.51 0.64 0.95 0.00 0.00 112 P 0.00 4.56 0.00 2.16 2.13 0.00 3.78 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 2.04 2.02 0.00 113 V 8.53 4.78 2.34 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 1.11 0.00 0.00 1.07 0.00 0.00 114 T 9.05 5.17 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 1.33 0.00 0.00 115 P 0.00 4.53 0.00 1.97 2.09 0.00 3.52 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.11 0.00 116 G 9.51 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 0.00 117 D 8.13 4.56 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.32 4.56 0.00 1.69 1.72 0.00 2.94 0.00 0.00 2.87 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.22 0.00 119 L 8.45 4.13 0.00 1.64 1.43 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.10 4.82 0.00 1.93 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 2.13 2.34 0.00 121 Y 9.05 5.00 0.00 3.00 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 0.00 122 H 9.83 5.13 0.00 3.15 3.26 0.00 5.55 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.94 5.54 0.00 1.68 1.58 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.23 5.21 0.00 2.14 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 2.42 2.30 0.00 125 V 8.80 4.23 2.28 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 0.83 0.00 0.00 1.24 0.00 0.00 126 L 9.23 4.47 0.00 1.73 1.73 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.60 4.25 0.00 1.76 1.57 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.28 7.81 128 H 8.64 4.77 0.00 2.23 2.61 0.00 5.74 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 0.00 129 K 8.50 4.23 0.00 1.70 1.57 0.00 1.76 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.41 7.81 130 G 8.02 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 0.00 131 M 8.63 4.43 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 132 I 7.77 4.92 1.99 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 1.25 1.26 0.95 0.00 0.00 133 W 9.49 5.09 0.00 3.09 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 0.00 134 Q 9.61 5.18 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 135 V 9.60 5.11 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 0.87 0.00 0.00 1.12 0.00 0.00 136 G 8.47 4.22 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 0.00 137 G 7.56 4.18 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 0.00 138 T 8.37 5.29 4.35 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 0.00 0.00 0.00 1.22 0.00 0.00 139 A 9.21 5.29 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 0.00 140 Q 9.51 5.12 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 141 V 8.25 4.55 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 0.97 0.00 0.00 0.91 0.00 0.00 142 D 9.74 4.35 0.00 2.74 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 0.00 143 G 8.19 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 0.00 0.00 0.00 144 K 7.65 4.42 0.00 1.94 1.73 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.50 7.81 145 V 8.31 4.07 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 0.80 0.00 0.00 0.92 0.00 0.00 146 V 9.05 4.28 2.26 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 1.13 0.00 0.00 0.97 0.00 0.00 147 A 7.92 5.47 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 0.00 148 E 7.94 5.10 0.00 2.06 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 2.16 2.40 0.00 149 A 8.11 4.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.91 5.16 0.00 1.90 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 2.22 2.25 0.00 151 L 9.77 5.34 0.00 1.75 1.78 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 152 K 9.18 5.31 0.00 1.90 1.69 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.54 7.81 153 A 9.25 5.06 0.17 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 0.00 154 M 9.15 5.30 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 155 I 8.99 4.81 2.06 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 1.15 0.00 0.00 156 A 8.64 4.76 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 0.00 157 E 8.63 4.47 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 2.26 2.32 0.00 158 R 8.81 3.90 0.00 1.76 1.76 0.00 3.42 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 *159 E 8.43 4.14 0.00 1.78 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 0.00 2.13 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.