NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 E 4.2945 8.4444 120.2266 55.6914 30.9365 175.1530 14 L 3.8036 8.4422 125.2070 54.6149 42.6015 174.2100 15 A 4.8241 8.2700 127.5819 50.1969 23.4801 175.0563 16 V 3.8578 8.2504 116.3298 65.2773 31.8174 176.4085 17 C 5.3557 7.8030 116.2430 54.6533 44.1281 173.8681 18 D 4.5517 9.1709 124.8410 54.5820 41.1876 175.7119 19 A 5.0501 8.5610 125.4033 50.6149 21.4698 176.3114 20 V 4.3183 8.9058 119.2931 61.3757 34.5817 174.5275 21 S 4.9246 8.2864 123.4775 56.9412 65.6533 173.6077 22 G 3.6072 7.3958 108.5890 45.7697 0.0000 171.5320 23 W 5.0497 8.6127 120.0439 55.5221 30.2137 176.5134 24 V 4.4053 9.4954 127.0882 61.7807 31.9471 176.1015 25 T 4.6537 8.8924 117.9979 61.8041 70.1585 174.8268 26 D 4.9168 8.0023 120.3317 52.7914 39.7144 175.7056 27 R 4.1036 8.3320 120.7787 57.0237 30.2437 175.8310 28 R 4.8965 8.7462 121.5360 56.4342 32.1262 175.6551 29 T 5.2840 7.7437 107.4080 58.9928 72.0635 173.0566 30 A 4.3828 7.9540 120.7230 51.2861 22.7464 175.3453 31 V 4.3134 8.0275 120.5672 62.3086 33.2966 176.1163 32 D 5.1512 9.4091 129.0576 51.8611 41.3153 176.6549 33 L 4.1412 8.0118 118.9760 57.8319 41.8782 177.8474 34 R 4.2936 8.8641 115.9761 56.1326 30.3112 177.2381 35 G 3.9933 8.3828 107.1336 44.9537 0.0000 173.7707 36 R 4.5777 7.7081 118.3376 54.5913 32.7581 174.9984 37 E 4.6839 8.6189 122.6999 56.2086 30.3040 176.1889 38 V 4.6257 9.2525 120.2328 59.2709 36.1592 174.7760 39 E 4.4306 8.5324 123.6342 56.4222 30.6221 175.9598 40 V 4.3998 9.7990 124.9674 60.9818 32.5682 175.6120 41 L 4.0490 8.2731 128.4263 55.0171 41.8719 178.3042 42 G 3.7159 8.8830 111.6492 47.9541 0.0000 172.8876 43 E 5.0967 7.5938 115.2959 55.3446 32.7505 174.4611 44 V 4.2657 8.0746 112.2504 63.3959 37.0239 177.2342 *52 L 4.2921 8.0783 117.5479 54.0326 41.7995 182.5952 53 R 4.3353 8.3494 112.9235 55.7712 33.1267 175.6530 54 Q 4.0631 8.2925 125.5841 55.0037 29.0509 174.5481 55 Y 5.0403 8.0137 123.3220 56.2410 41.5678 175.1062 56 F 5.0138 8.6705 117.6282 55.9395 43.7998 174.2516 57 F 4.3923 9.1428 124.8292 57.1100 39.6817 174.4722 58 E 4.8787 9.1597 126.7027 54.8160 32.5521 175.5223 59 T 4.8824 9.4177 119.4917 62.0489 72.0074 173.4905 60 R 4.7426 8.8242 124.3646 54.0974 34.8053 174.0528 61 C 4.9098 8.5655 117.0862 56.5518 39.5382 174.1041 62 K 4.2940 8.7363 123.3696 56.4362 32.9485 176.2965 63 A 4.6449 8.4032 128.9023 50.8668 19.9342 177.0371 64 D 4.4516 8.5012 119.8089 54.7924 41.6665 176.0488 65 N 4.8768 8.4614 119.5119 51.4001 41.3132 175.0369 66 A 4.2528 8.8089 128.8093 54.8670 18.7505 177.7796 67 E 4.1151 8.6374 118.5491 58.9831 29.8703 177.8841 68 E 4.1465 8.0843 114.0095 56.8182 30.8179 181.7434 69 G 3.7455 9.2968 110.0371 46.0740 0.0000 173.1452 70 G 3.8322 8.6983 107.4314 44.2698 0.0000 170.7425 71 P 4.5050 0.0000 0.0000 62.0150 32.7482 176.2020 72 G 3.8678 8.9670 105.3685 45.1118 0.0000 172.9909 73 A 4.8499 8.1303 122.2043 51.1047 21.2234 180.4833 74 G 3.6007 9.0864 107.6826 45.0214 0.0000 177.9241 75 G 4.4778 7.7307 106.5896 45.1568 0.0000 171.6470 76 G 4.2494 8.5389 107.5375 43.4738 0.0000 174.0792 77 G 4.2415 8.4207 106.9915 46.1324 0.0000 173.8323 78 C 4.8820 9.1706 122.1941 56.0089 41.4594 173.6540 79 R 3.8834 8.4112 123.7381 57.7767 30.1179 177.7289 80 G 4.0534 8.7789 110.0265 46.3364 0.0000 174.6970 81 V 3.6613 7.0960 112.2807 60.8308 32.3141 175.6861 82 D 4.4630 8.6614 122.6717 54.1834 40.4861 177.1073 83 R 4.3544 8.4964 124.2502 58.4209 29.9282 179.1045 84 R 3.8398 8.0807 117.6150 58.9872 30.0610 176.8558 85 H 4.8259 8.2239 112.3445 55.2740 30.9584 174.3822 86 W 5.2098 7.9528 117.3683 54.7879 34.0348 174.1035 87 V 4.8582 9.8104 123.9623 61.3252 33.2772 174.7685 88 S 5.7342 8.4554 120.6133 55.9923 67.6050 172.3171 89 E 4.9759 8.2264 119.3029 55.3705 32.9513 174.3801 90 C 5.0040 9.2038 125.7691 56.8865 41.9888 172.9705 91 K 4.8762 8.8396 122.3512 54.1745 36.4294 175.6427 92 A 4.5346 8.6014 124.3460 51.9319 19.3219 176.7631 93 K 4.5632 9.1792 123.1243 54.8526 34.7321 175.1505 94 Q 5.1973 8.4997 123.9324 54.5478 32.1992 174.3423 95 S 4.6632 8.4888 116.0069 57.6635 68.3194 172.1665 96 Y 5.2661 8.6147 118.0187 56.9601 39.3552 176.1129 97 V 4.9153 9.0360 116.6887 59.3416 35.7311 175.3091 98 R 3.6263 8.3811 123.1348 56.1051 30.5564 175.9831 99 A 5.1480 9.2900 125.2955 50.0532 23.5209 174.7447 100 L 3.5872 9.6001 124.7217 55.0388 43.1166 175.9536 101 T 5.2312 8.8252 117.2423 60.5314 72.7039 172.1110 102 A 4.7221 8.3180 121.0002 50.8673 22.9129 176.2083 *108 V 3.9286 8.3708 120.2814 61.4950 32.6326 175.0555 109 G 4.0105 7.6086 115.0432 45.6222 0.0000 171.1020 110 W 4.9082 8.1097 120.5373 56.4133 29.6370 176.5559 111 R 4.8174 9.2388 123.7446 53.8615 34.3454 174.7437 112 W 4.9305 8.9308 122.5087 56.7653 30.2614 175.3182 113 I 5.0934 9.4533 118.1891 59.0030 40.8936 174.6502 114 R 4.4977 8.4557 123.4080 55.7921 30.6514 176.1058 115 I 4.6308 8.4218 116.6249 58.8046 41.6022 174.1806 116 D 4.9921 8.7899 123.8336 54.6068 41.2936 176.9037 117 T 4.5471 8.4021 112.5085 61.2365 70.4008 173.1202 118 A 4.3502 7.3708 122.6732 51.8792 22.9104 175.3953 119 C 5.2271 8.8496 119.1205 55.3370 43.4796 173.2992 120 V 4.6250 8.6372 119.9383 59.5540 34.8676 174.1420 121 C 5.0780 8.6138 123.0736 56.0946 41.8049 172.7309 122 T 4.6984 8.9796 122.3938 61.7107 71.5390 173.3292 123 L 4.6282 8.3581 125.5054 53.8939 41.8715 176.3441 124 L 4.5829 8.7362 124.3163 55.0021 42.3110 177.3044 125 S 4.8802 7.7639 116.7935 59.5495 65.0774 174.3977 126 R 4.0490 8.5096 107.4805 60.6745 31.3787 170.9472 127 T 4.1127 7.3196 121.3860 63.3590 67.8909 174.0780 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 13 E 8.44 4.29 0.00 1.97 1.95 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 2.21 2.30 0.00 14 L 8.44 3.80 0.00 1.68 1.57 0.92 0.65 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 15 A 8.27 4.82 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 16 V 8.25 3.86 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 0.95 0.00 0.00 0.93 0.00 0.00 17 C 7.80 5.36 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.17 4.55 0.00 2.73 2.60 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 19 A 8.56 5.05 1.20 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 20 V 8.91 4.32 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 1.01 0.00 0.00 0.91 0.00 0.00 21 S 8.29 4.92 0.00 3.74 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 22 G 7.40 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 23 W 8.61 5.05 0.00 3.08 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 24 V 9.50 4.41 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 1.10 0.00 0.00 0.96 0.00 0.00 25 T 8.89 4.65 4.37 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 1.13 0.00 0.00 26 D 8.00 4.92 0.00 2.82 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 27 R 8.33 4.10 0.00 1.90 2.17 0.00 2.73 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 28 R 8.75 4.90 0.00 1.92 2.16 0.00 2.97 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 29 T 7.74 5.28 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 30 A 7.95 4.38 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.03 4.31 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 1.06 0.00 0.00 0.99 0.00 0.00 32 D 9.41 5.15 0.00 2.91 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 33 L 8.01 4.14 0.00 1.70 1.77 -0.11 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.86 4.29 0.00 1.91 1.97 0.00 3.23 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 35 G 8.38 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 36 R 7.71 4.58 0.00 1.76 1.86 0.00 3.30 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 37 E 8.62 4.68 0.00 1.97 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 2.29 2.40 0.00 38 V 9.25 4.63 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 1.00 0.00 0.00 0.99 0.00 0.00 39 E 8.53 4.43 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 2.32 2.25 0.00 40 V 9.80 4.40 2.36 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 1.00 0.00 0.00 0.94 0.00 0.00 41 L 8.27 4.05 0.00 1.65 1.68 0.81 0.82 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 42 G 8.88 3.72 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 0.00 0.00 0.00 43 E 7.59 5.10 0.00 1.97 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 2.13 2.28 0.00 44 V 8.07 4.27 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 0.61 0.00 0.00 0.98 0.00 0.00 *52 L 8.08 4.29 0.00 1.69 0.95 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.35 4.34 0.00 1.77 1.68 0.00 3.23 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 54 Q 8.29 4.06 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.68 0.00 0.00 0.00 0.00 0.00 1.93 2.23 0.00 55 Y 8.01 5.04 0.00 2.81 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 F 8.67 5.01 0.00 3.06 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 57 F 9.14 4.39 0.00 2.62 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 58 E 9.16 4.88 0.00 1.78 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 2.29 0.00 59 T 9.42 4.88 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 1.17 0.00 0.00 60 R 8.82 4.74 0.00 1.63 1.75 0.00 3.05 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 61 C 8.57 4.91 0.00 2.83 3.06 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 0.00 0.00 0.00 62 K 8.74 4.29 0.00 1.94 1.65 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 63 A 8.40 4.64 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 64 D 8.50 4.45 0.00 2.67 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 65 N 8.46 4.88 0.00 2.66 2.61 0.00 0.00 6.99 8.14 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 66 A 8.81 4.25 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 67 E 8.64 4.12 0.00 1.95 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 2.29 2.24 0.00 68 E 8.08 4.15 0.00 2.02 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 0.00 2.19 1.87 0.00 69 G 9.30 3.75 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 0.00 70 G 8.70 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.50 0.00 2.31 2.09 0.00 3.75 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 1.95 1.95 0.00 72 G 8.97 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 73 A 8.13 4.85 1.31 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 0.00 0.00 0.00 74 G 9.09 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 0.00 0.00 0.00 75 G 7.73 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 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 0.00 0.00 0.00 0.00 77 G 8.42 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 78 C 9.17 4.88 0.00 2.85 2.98 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 0.00 79 R 8.41 3.88 0.00 1.78 1.83 0.00 3.37 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 80 G 8.78 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.10 3.66 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 0.60 0.00 0.00 1.02 0.00 0.00 82 D 8.66 4.46 0.00 2.78 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 83 R 8.50 4.35 0.00 2.06 2.21 0.00 3.21 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 84 R 8.08 3.84 0.00 1.86 1.91 0.00 3.08 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 85 H 8.22 4.83 0.00 2.88 2.82 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 7.95 5.21 0.00 3.24 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 87 V 9.81 4.86 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 1.06 0.00 0.00 0.97 0.00 0.00 88 S 8.46 5.73 0.00 3.92 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 89 E 8.23 4.98 0.00 2.04 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 90 C 9.20 5.00 0.00 3.09 2.98 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 0.00 91 K 8.84 4.88 0.00 1.65 1.61 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.47 7.81 92 A 8.60 4.53 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 93 K 9.18 4.56 0.00 1.80 1.62 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.41 7.81 94 Q 8.50 5.20 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.55 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 95 S 8.49 4.66 0.00 3.80 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 96 Y 8.61 5.27 0.00 2.90 3.21 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 0.00 0.00 0.00 0.00 97 V 9.04 4.92 2.32 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 1.00 0.00 0.00 1.05 0.00 0.00 98 R 8.38 3.63 0.00 1.37 1.64 0.00 2.91 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 99 A 9.29 5.15 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 0.00 100 L 9.60 3.59 0.00 0.52 1.15 -0.56 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.83 5.23 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 1.26 0.00 0.00 102 A 8.32 4.72 1.17 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 *108 V 8.37 3.93 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 0.67 0.00 0.00 0.86 0.00 0.00 109 G 7.61 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 0.00 110 W 8.11 4.91 0.00 3.15 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 0.00 111 R 9.24 4.82 0.00 1.69 1.85 0.00 3.14 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 112 W 8.93 4.93 0.00 3.34 3.18 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 0.00 113 I 9.45 5.09 1.84 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.93 0.00 0.00 114 R 8.46 4.50 0.00 1.58 1.60 0.00 3.03 0.00 0.00 2.73 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 115 I 8.42 4.63 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 0.61 0.00 0.00 116 D 8.79 4.99 0.00 2.60 2.83 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 0.00 117 T 8.40 4.55 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 118 A 7.37 4.35 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.85 5.23 0.00 3.00 2.96 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 0.00 120 V 8.64 4.62 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 0.60 0.00 0.00 0.90 0.00 0.00 121 C 8.61 5.08 0.00 2.93 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 0.00 122 T 8.98 4.70 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 123 L 8.36 4.63 0.00 1.23 1.21 -0.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.74 4.58 0.00 1.62 1.75 0.96 0.85 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 0.00 125 S 7.76 4.88 0.00 3.99 4.10 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 0.00 126 R 8.51 4.05 0.00 1.79 1.74 0.00 3.19 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.00 127 T 7.32 4.11 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 1.28 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.