NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 S 4.5095 8.1927 119.0326 57.4174 64.7745 172.4517 7 F 4.4622 8.1161 128.0885 56.1119 41.2669 173.3115 8 H 4.4036 8.4457 128.3370 54.5424 29.5832 176.7676 9 K 3.4606 8.4230 129.4690 57.2519 31.6832 174.6530 10 N 4.7650 7.8480 111.9056 52.4750 38.0993 178.8884 11 C 4.5489 7.8007 120.5401 58.3920 32.6100 173.8327 12 E 3.8843 8.9212 128.4659 59.2969 29.1831 178.1288 13 L 4.3084 7.6261 115.1872 55.5999 42.2402 177.1745 14 C 4.4306 7.8948 116.0821 61.3582 28.5168 174.2693 15 T 4.6796 7.7317 107.3193 61.3864 69.1134 174.1118 16 T 4.7048 7.6144 110.9941 59.7188 71.9487 173.9659 17 A 3.9871 8.6044 125.9620 53.7959 18.5370 179.1316 18 G 3.8910 7.8618 102.4379 44.6279 0.0000 173.4573 19 G 3.9882 7.2447 105.6371 44.2215 0.0000 171.2558 20 E 4.1725 8.0329 121.3394 55.9971 30.5174 176.4644 21 I 4.3992 8.4691 128.3509 61.6092 37.2685 175.6684 22 L 4.6209 9.2595 127.5242 55.8781 43.3939 176.7119 23 W 4.8000 8.0019 125.3786 56.8077 33.8130 173.1297 24 Q 4.7235 7.3145 122.0623 55.5359 30.8597 173.2061 25 D 4.4174 8.2175 118.9206 51.9354 42.2484 174.4733 26 A 4.0799 8.7631 120.5211 55.9793 18.7527 178.9272 27 L 4.3841 8.1509 117.7377 58.0699 43.4612 176.1593 28 C 5.3605 8.7391 112.1238 57.1804 33.8080 173.0123 29 R 5.1758 9.0438 114.7736 54.4760 32.7746 174.1566 30 V 4.9730 9.5465 122.2254 61.5106 33.8144 174.8775 31 V 5.0313 8.8260 120.3034 59.7950 36.1388 173.9417 32 H 5.0865 9.2340 123.9895 55.3775 31.1132 174.1176 33 V 4.1696 8.3636 126.7107 61.9391 32.4300 175.4539 34 E 4.1879 8.6477 127.8830 55.2149 29.1907 175.3655 35 N 4.9202 8.3446 122.6257 51.4764 41.1578 175.1167 36 Q 4.1108 8.8369 125.4017 58.7985 29.0626 177.4531 37 D 4.3403 8.0128 116.2307 56.0813 41.6921 176.3939 38 Y 4.8233 7.8340 116.7479 54.8874 38.5066 172.5508 39 P 4.5777 0.0000 0.0000 64.2364 32.1836 178.0962 40 G 4.0092 9.2659 108.8264 45.0579 0.0000 172.8554 41 F 4.4052 8.3240 123.0490 59.4846 40.2863 173.8815 42 C 5.6500 9.4422 123.3883 58.1813 32.0514 173.2491 43 R 5.3478 9.1122 118.8567 54.6358 34.2732 174.7589 44 V 4.7438 9.1462 123.4720 61.6075 33.5933 174.2319 45 I 4.8209 8.5405 129.9075 59.0647 39.3232 175.3520 46 L 4.5622 8.5100 129.9954 55.5343 41.9977 176.9490 47 N 4.7594 9.5103 123.8775 55.2835 39.1427 175.3426 48 R 4.6876 7.8669 113.6848 54.2856 32.5863 175.3817 49 H 4.0438 8.4669 120.3248 55.6596 30.2018 174.6833 50 V 4.3361 7.6016 124.7985 61.6859 34.6974 175.2161 51 K 4.2743 8.7646 128.2479 58.1487 33.5524 176.3798 52 E 4.5432 7.7532 119.1805 56.4547 29.5039 179.0842 *54 S 4.4760 8.6322 120.5885 59.0344 64.6323 174.6913 55 D 4.4802 7.6635 120.5280 56.3452 40.7892 176.7108 56 L 4.3735 7.5902 118.5968 53.7061 42.7591 177.4079 57 R 4.0852 8.1136 119.3616 55.8096 31.9154 176.4695 58 P 4.2269 0.0000 0.0000 65.8847 31.4392 178.8685 59 A 4.0566 8.0018 119.0222 55.2149 18.3135 179.4055 60 E 4.0221 8.0412 116.6644 59.4695 29.4437 179.4635 61 R 3.9814 8.0536 117.4827 59.3293 30.2041 178.5708 62 D 4.4918 7.9377 117.5099 57.6377 41.1782 178.0706 63 H 4.3621 8.1503 118.4419 58.9806 29.8228 177.7984 64 L 3.6809 7.8490 119.9181 55.7810 42.1040 178.4577 *66 L 4.2220 7.9009 118.9231 54.2955 43.7775 179.4891 67 V 3.2921 7.3816 117.6803 65.6752 31.2553 178.2344 68 V 3.3290 7.4644 118.0876 66.0603 31.2801 178.1307 69 F 4.4252 7.4642 116.6693 60.1890 38.7192 177.4486 70 A 3.9191 8.0099 120.6781 55.1485 18.1581 179.8243 71 V 3.4561 7.8539 116.9207 65.9176 31.5293 177.5539 72 E 3.9149 8.3987 119.3677 59.6733 29.4668 178.8496 73 E 3.9337 8.2759 118.0735 59.2442 29.5015 179.2742 74 A 3.9753 8.2002 121.0044 55.1351 18.2425 179.8510 75 V 3.5913 7.9984 116.0864 66.2368 31.3652 178.1621 76 R 4.0373 8.1976 117.9487 59.1775 29.6543 178.7029 77 E 3.9930 8.0524 118.2944 58.9387 29.7350 178.0696 78 V 3.9318 7.4860 115.2860 63.1195 32.8249 176.4040 *80 R 4.3136 7.8656 114.5311 55.8885 30.8356 173.2046 81 P 3.5601 0.0000 0.0000 61.8914 32.8590 176.9356 82 D 4.4143 7.4857 119.5516 57.1059 41.3358 176.9158 83 K 4.5851 7.4785 117.3742 55.0938 35.9085 174.6449 84 I 4.7945 8.2642 126.2306 59.9600 39.0969 174.6023 85 N 5.0798 8.9772 123.8146 51.4120 41.2197 173.5707 86 L 5.5586 8.5084 122.3839 53.1305 44.7296 175.7393 87 A 4.6538 9.1323 123.1273 50.9735 23.3302 175.1300 88 S 4.0219 7.9291 115.5672 55.6748 63.7196 172.0770 89 L 4.1876 8.3341 124.8657 53.5302 44.3023 177.7188 90 G 3.8999 7.7980 105.6316 46.6783 0.0000 173.7379 91 N 4.3148 7.9688 112.7634 54.3414 38.1401 175.8066 *93 T 4.0606 7.6371 116.2626 62.9677 68.9678 171.9008 94 P 4.7898 0.0000 0.0000 61.8362 29.9228 175.6199 95 H 4.6872 7.5394 117.8234 54.4089 33.0590 172.5729 96 V 3.6849 8.3696 127.5263 64.1656 32.1570 174.4129 97 H 5.3261 8.3483 120.9661 54.4291 31.9002 172.1899 98 W 4.8607 9.2213 121.2814 55.2245 31.7757 174.7132 99 H 5.1557 9.3418 123.3849 55.7100 29.8281 174.6427 100 V 4.4538 9.3890 124.1489 61.3240 33.4036 173.6968 101 I 4.4361 8.5834 129.9024 58.3256 39.5013 173.2982 102 P 4.5957 0.0000 0.0000 62.5566 32.1102 175.8749 103 R 5.0180 8.9053 123.8838 54.4045 33.3110 175.1754 104 F 4.8776 9.3062 119.3971 55.3642 42.7973 176.2337 105 K 3.1984 9.0077 122.2035 59.3367 31.9849 178.1400 106 R 4.4089 7.8057 114.8001 55.7746 30.2192 175.8270 107 D 4.6120 8.0252 119.1585 52.3671 40.5637 176.3337 108 R 4.0989 8.4778 119.1012 59.1546 30.1154 177.2628 109 H 4.9801 8.0805 112.5527 55.4867 30.4927 174.2885 110 F 4.2870 8.4182 122.5434 57.9868 39.5271 172.5624 111 P 3.0840 0.0000 0.0000 62.2492 31.2350 175.7240 112 N 4.5068 7.8690 116.7491 53.0963 39.2153 174.9874 113 S 4.2582 8.2059 114.3319 57.9807 63.8093 175.6263 114 V 3.2837 7.2277 113.5939 62.8394 31.1233 177.1609 115 W 4.6189 7.1930 118.9486 56.7029 29.8819 176.7074 116 G 4.1969 7.3780 108.7518 44.3783 0.0000 173.2729 117 E 4.2927 8.5778 119.5354 56.0971 30.3109 176.6985 118 T 4.3007 8.3423 112.5405 61.5271 69.7692 174.5384 119 K 4.4711 8.7343 123.0156 56.9515 34.0878 176.1508 120 R 4.5446 7.3162 112.3678 54.9825 31.7430 174.0244 121 E 4.0926 8.4865 118.4215 56.3468 30.0661 177.3163 122 S 4.2116 8.3958 119.6384 58.6455 63.9057 174.8409 123 L 4.6221 8.0544 130.2191 51.7434 40.4896 171.0222 124 P 4.4335 0.0000 0.0000 62.2580 32.6805 177.8078 125 Q 4.0560 8.3202 117.9808 54.2613 28.3678 176.9336 126 A 4.1977 8.5356 126.5402 51.0422 19.0072 177.0182 127 L 3.9729 8.5431 123.2295 55.5522 42.4565 178.6049 128 D 4.7578 8.6251 127.6215 55.5316 42.0407 175.5023 129 Q 4.4009 8.6033 118.6965 61.5000 27.9251 177.5763 130 G 3.8024 8.0095 106.2384 48.0686 0.0000 175.9763 131 S 4.1677 7.9654 117.0987 61.5531 62.9702 176.7748 132 T 3.8700 7.8270 118.0901 66.9388 68.2330 177.0781 133 T 3.9240 8.1642 117.5342 66.4790 68.3505 176.6379 134 A 4.0384 8.2408 123.0053 54.9449 18.2869 179.6577 135 L 3.9274 8.1398 117.5882 57.9700 41.7428 179.6892 136 K 3.9523 8.0417 118.3580 59.4857 31.9372 179.3245 137 K 3.9369 8.1746 119.3524 59.4783 32.2277 178.5908 138 A 3.9879 8.1579 121.2020 55.3166 18.3797 179.7321 139 I 3.6164 8.0153 118.3418 64.5224 37.1629 178.6055 140 S 4.1502 8.2010 114.0112 61.4575 62.0209 176.1782 141 V 3.5860 7.8988 120.1407 66.2788 31.2418 177.9191 142 R 4.0533 7.4768 115.3962 58.3038 30.0592 177.9681 143 L 4.3875 7.5253 115.9928 54.7312 42.6024 176.3021 144 D 4.6822 8.1895 123.4014 54.3408 41.0445 176.0514 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 *6 S 8.19 4.51 0.00 3.44 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 7 F 8.12 4.46 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.45 4.40 0.00 2.93 3.00 0.00 5.87 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 9 K 8.42 3.46 0.00 1.77 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.01 7.81 10 N 7.85 4.76 0.00 2.72 2.71 0.00 0.00 6.54 7.66 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 11 C 7.80 4.55 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.92 3.88 0.00 2.00 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 2.35 2.33 0.00 13 L 7.63 4.31 0.00 1.29 1.33 0.53 0.76 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 14 C 7.89 4.43 0.00 2.94 2.80 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 15 T 7.73 4.68 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 1.28 0.00 0.00 16 T 7.61 4.70 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 A 8.60 3.99 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 18 G 7.86 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 0.00 0.00 0.00 19 G 7.24 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 0.00 0.00 0.00 20 E 8.03 4.17 0.00 2.16 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 2.36 2.33 0.00 21 I 8.47 4.40 1.89 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 1.38 0.68 0.97 0.00 0.00 22 L 9.26 4.62 0.00 1.69 1.83 1.02 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.00 4.80 0.00 3.39 3.03 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 24 Q 7.31 4.72 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.49 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 25 D 8.22 4.42 0.00 2.60 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 26 A 8.76 4.08 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 27 L 8.15 4.38 0.00 1.85 1.95 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.74 5.36 0.00 3.32 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.04 5.18 0.00 1.91 2.04 0.00 2.76 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 30 V 9.55 4.97 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.12 0.00 0.00 31 V 8.83 5.03 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 0.77 0.00 0.00 1.01 0.00 0.00 32 H 9.23 5.09 0.00 3.27 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.36 4.17 1.77 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 0.42 0.00 0.00 0.80 0.00 0.00 34 E 8.65 4.19 0.00 1.97 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 2.31 2.28 0.00 35 N 8.34 4.92 0.00 2.61 2.80 0.00 0.00 7.14 6.87 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 36 Q 8.84 4.11 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 37 D 8.01 4.34 0.00 2.85 2.16 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 38 Y 7.83 4.82 0.00 3.36 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 39 P 0.00 4.58 0.00 2.24 2.12 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 40 G 9.27 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 41 F 8.32 4.41 0.00 3.46 2.87 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 42 C 9.44 5.65 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.11 5.35 0.00 1.80 1.89 0.00 3.11 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 44 V 9.15 4.74 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.97 0.00 0.00 45 I 8.54 4.82 1.92 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 1.14 0.95 0.88 0.00 0.00 46 L 8.51 4.56 0.00 1.76 1.73 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.51 4.76 0.00 2.85 2.91 0.00 0.00 6.86 7.70 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 48 R 7.87 4.69 0.00 1.82 1.94 0.00 3.05 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 49 H 8.47 4.04 0.00 3.07 3.12 0.00 5.93 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.60 4.34 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 0.97 0.00 0.00 0.90 0.00 0.00 51 K 8.76 4.27 0.00 1.71 1.96 0.00 1.58 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.37 7.81 52 E 7.75 4.54 0.00 2.02 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 2.18 2.32 0.00 *54 S 8.63 4.48 0.00 4.01 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 55 D 7.66 4.48 0.00 2.84 2.77 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 56 L 7.59 4.37 0.00 1.67 1.62 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.11 4.09 0.00 1.93 1.87 0.00 3.15 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 58 P 0.00 4.23 0.00 2.17 2.13 0.00 3.61 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 2.13 2.18 0.00 59 A 8.00 4.06 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 60 E 8.04 4.02 0.00 2.21 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 2.43 2.42 0.00 61 R 8.05 3.98 0.00 1.95 2.03 0.00 3.20 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 1.72 1.85 0.00 62 D 7.94 4.49 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.15 4.36 0.00 3.32 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.85 3.68 0.00 1.99 1.74 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *66 L 7.90 4.22 0.00 1.92 1.62 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.38 3.29 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 0.96 0.00 0.00 0.74 0.00 0.00 68 V 7.46 3.33 1.10 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 0.43 0.00 0.00 0.39 0.00 0.00 69 F 7.46 4.43 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.01 3.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.85 3.46 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 1.05 0.00 0.00 0.93 0.00 0.00 72 E 8.40 3.91 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 73 E 8.28 3.93 0.00 2.21 1.96 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 2.30 2.49 0.00 74 A 8.20 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.00 3.59 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 0.89 0.00 0.00 1.05 0.00 0.00 76 R 8.20 4.04 0.00 2.03 1.94 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 77 E 8.05 3.99 0.00 2.06 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 0.00 2.33 2.31 0.00 78 V 7.49 3.93 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 0.97 0.00 0.00 0.96 0.00 0.00 *80 R 7.87 4.31 0.00 1.94 1.97 0.00 3.32 0.00 0.00 3.03 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 81 P 0.00 3.56 0.00 1.98 1.56 0.00 3.70 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 1.82 1.85 0.00 82 D 7.49 4.41 0.00 2.30 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 83 K 7.48 4.59 0.00 1.90 1.67 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.57 7.81 84 I 8.26 4.79 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 0.97 0.00 0.00 85 N 8.98 5.08 0.00 2.45 2.65 0.00 0.00 6.58 7.03 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 86 L 8.51 5.56 0.00 1.69 1.81 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 A 9.13 4.65 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 88 S 7.93 4.02 0.00 2.72 2.65 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 89 L 8.33 4.19 0.00 1.37 1.28 -0.10 0.67 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 90 G 7.80 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 7.97 4.31 0.00 2.61 2.78 0.00 0.00 7.10 7.54 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 *93 T 7.64 4.06 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 1.17 0.00 0.00 94 P 0.00 4.79 0.00 2.19 2.28 0.00 3.64 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 2.09 1.94 0.00 95 H 7.54 4.69 0.00 2.98 3.07 0.00 5.77 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.37 3.68 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 0.94 0.00 0.00 0.96 0.00 0.00 97 H 8.35 5.33 0.00 3.28 3.29 0.00 5.46 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 98 W 9.22 4.86 0.00 3.29 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 99 H 9.34 5.16 0.00 3.29 3.42 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 9.39 4.45 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 1.00 0.00 0.00 1.00 0.00 0.00 101 I 8.58 4.44 1.40 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.19 0.13 0.00 0.00 102 P 0.00 4.60 0.00 2.16 2.07 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 103 R 8.91 5.02 0.00 1.75 1.97 0.00 3.08 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 104 F 9.31 4.88 0.00 2.91 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 0.00 105 K 9.01 3.20 0.00 1.59 1.83 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 0.96 7.81 106 R 7.81 4.41 0.00 1.75 1.91 0.00 3.15 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 107 D 8.03 4.61 0.00 2.72 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.48 4.10 0.00 1.72 1.86 0.00 3.20 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.72 0.00 109 H 8.08 4.98 0.00 3.40 3.44 0.00 5.87 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.42 4.29 0.00 3.35 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 0.00 111 P 0.00 3.08 0.00 1.78 1.46 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 112 N 7.87 4.51 0.00 2.99 2.80 0.00 0.00 6.90 7.36 0.00 0.00 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 S 8.21 4.26 0.00 4.07 4.08 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 0.00 114 V 7.23 3.28 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 -0.29 0.00 0.00 -0.63 0.00 0.00 115 W 7.19 4.62 0.00 3.50 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 0.00 116 G 7.38 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.58 4.29 0.00 2.01 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 2.35 2.33 0.00 118 T 8.34 4.30 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 1.22 0.00 0.00 119 K 8.73 4.47 0.00 1.74 1.91 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.81 7.81 120 R 7.32 4.54 0.00 1.87 1.88 0.00 3.22 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 121 E 8.49 4.09 0.00 1.96 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 2.29 2.28 0.00 122 S 8.40 4.21 0.00 3.88 3.63 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 0.00 123 L 8.05 4.62 0.00 1.67 1.43 0.92 0.94 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 0.00 124 P 0.00 4.43 0.00 2.06 1.91 0.00 3.78 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 1.98 1.77 0.00 125 Q 8.32 4.06 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 126 A 8.54 4.20 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 0.00 127 L 8.54 3.97 0.00 1.65 1.62 0.81 1.03 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 0.00 128 D 8.63 4.76 0.00 2.68 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 0.00 129 Q 8.60 4.40 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.00 0.00 130 G 8.01 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 0.00 131 S 7.97 4.17 0.00 4.01 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 0.00 132 T 7.83 3.87 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 1.27 0.00 0.00 133 T 8.16 3.92 4.44 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 1.23 0.00 0.00 134 A 8.24 4.04 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 0.00 135 L 8.14 3.93 0.00 1.93 1.77 0.94 1.02 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 0.00 136 K 8.04 3.95 0.00 2.05 1.94 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.70 7.81 137 K 8.17 3.94 0.00 2.01 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 138 A 8.16 3.99 1.35 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 0.00 0.00 0.00 139 I 8.02 3.62 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 1.34 1.11 0.58 0.00 0.00 140 S 8.20 4.15 0.00 4.10 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 0.00 141 V 7.90 3.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.02 0.00 0.00 142 R 7.48 4.05 0.00 1.92 1.87 0.00 3.26 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 143 L 7.53 4.39 0.00 1.04 1.32 -0.58 0.51 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 0.00 144 D 8.19 4.68 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.