NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3494 8.3444 118.8368 56.1045 30.7289 175.7472 2 Q 4.2889 7.9868 119.0988 55.7303 30.8501 170.4083 3 V 5.4479 7.9862 118.9772 61.5409 32.6441 172.7356 4 R 4.9305 8.7947 124.1245 54.5618 31.3824 175.9085 5 Q 4.9511 8.4261 122.8690 54.9025 31.2405 174.3834 6 S 4.7989 8.2522 112.0997 57.4302 66.4012 175.0434 7 P 4.8393 0.0000 0.0000 62.4056 32.1513 176.3031 8 Q 4.4518 8.4209 116.1577 57.4463 29.7953 175.6713 9 S 5.0640 7.8758 114.5209 56.7428 66.4949 173.6692 10 L 4.4015 8.3715 123.7001 54.5204 45.6574 173.9898 11 T 5.0556 8.4563 123.2607 61.6555 70.8530 173.9516 12 V 3.2473 8.1103 124.7409 59.4558 35.2847 176.5617 13 W 4.6063 7.1505 121.6917 56.7332 29.9443 174.9718 14 E 4.5802 8.9386 119.2872 56.1352 31.1808 175.9928 15 G 4.0736 8.2423 108.9406 47.0788 0.0000 172.0687 16 E 4.9601 7.9607 115.7242 54.5473 34.8978 175.7298 17 T 4.8909 8.6942 116.9660 62.5400 69.2727 174.7599 18 A 4.5047 8.9489 129.7653 51.1708 20.8844 176.3952 19 I 4.6815 8.1413 120.7851 59.6253 39.8809 174.0165 20 L 4.6546 8.7452 127.6628 53.6017 43.3543 176.1188 21 N 5.3484 9.2286 121.6575 52.5151 41.2952 173.1048 22 C 5.4145 8.7429 119.8838 55.6385 46.9084 172.5586 23 S 5.2601 8.0203 111.0224 57.9585 66.0402 174.7751 24 Y 5.6856 8.2699 119.5871 54.6227 40.9745 174.2268 25 E 4.3049 8.5463 118.9836 55.5916 31.5565 174.8140 26 D 4.4981 7.4328 118.5496 52.4210 41.0816 176.6923 27 S 4.4940 8.5042 122.3507 61.1065 63.1947 175.7821 28 T 4.1205 7.9850 117.3699 65.6645 68.4384 175.1424 29 F 4.7512 8.0698 121.0440 58.3683 39.2227 174.5494 30 N 5.2138 9.3887 121.3436 52.4319 39.5712 173.1955 31 Y 4.9941 7.3088 121.0664 56.0701 42.2985 173.8468 32 F 5.1575 8.8761 125.2188 53.6616 40.4116 170.9268 33 P 4.5158 0.0000 0.0000 61.5871 33.4038 175.1504 34 W 5.0879 9.6270 124.7054 55.4006 31.1986 174.9649 35 Y 5.1113 9.5604 123.2806 56.7052 40.4426 174.4228 36 Q 5.2787 9.2912 122.7437 54.4613 32.3446 173.8328 37 Q 4.8291 9.0925 127.4205 54.2701 32.3250 173.6345 38 F 5.5638 8.5232 124.7929 54.7123 41.6684 173.2727 39 P 4.2544 0.0000 0.0000 64.7764 31.1775 175.2814 40 G 4.0870 9.2572 110.0290 44.9516 0.0000 173.0902 41 E 4.6683 7.9525 117.8937 54.2187 31.7316 175.8304 42 G 3.9232 8.2615 108.4862 44.9569 0.0000 171.5360 43 P 4.6357 0.0000 0.0000 62.5988 32.1246 176.1543 44 A 4.8517 9.0235 125.0721 49.5816 22.2690 175.0217 45 L 3.3152 8.6235 123.9245 56.1204 41.8525 175.9981 46 L 4.3500 8.6930 127.8859 56.3179 43.8050 176.1969 47 I 4.3088 7.1247 114.9960 60.3805 41.0255 172.9274 48 S 5.1842 8.6036 120.9433 57.0651 66.5179 172.8072 49 I 4.7231 8.2185 120.2362 59.6572 41.6271 174.3253 50 R 5.0065 8.6108 127.2338 55.3185 31.4080 177.2493 51 S 3.5985 8.9177 117.6371 61.7632 62.7774 176.4258 52 V 3.7109 8.1054 112.0090 63.3782 31.6129 175.9082 53 S 4.7723 7.5497 116.0487 58.4042 64.8409 174.3115 54 D 4.8358 7.7008 118.9476 54.1999 41.7424 175.1038 55 K 4.1668 7.2250 117.5064 56.0645 35.0766 173.5081 56 K 4.6664 8.0675 128.7778 54.6507 35.4803 174.5381 57 E 4.9674 8.5307 124.6018 54.8153 33.2914 175.6985 58 D 4.4574 8.6393 123.3437 53.1346 41.6650 174.9859 59 G 3.7111 8.5980 116.3533 44.5229 0.0000 172.9483 *61 R 4.5310 8.9431 127.9402 55.8831 33.0903 174.6899 62 F 4.6703 7.2544 116.8694 57.2026 41.1307 175.5477 63 T 5.0833 7.9710 116.3785 63.9868 71.3806 172.9433 64 I 4.1982 8.0080 127.8002 61.0590 38.8754 175.1364 65 F 4.9285 8.8925 122.5599 55.6566 42.6968 173.8126 66 F 4.9538 8.9644 124.1766 56.6712 42.5414 174.6138 67 N 4.6047 7.1911 122.1230 51.2919 39.3615 174.2760 68 K 3.7761 8.5081 124.0848 59.2465 32.7160 177.8098 69 R 4.0590 8.1009 115.6757 59.3591 30.0103 177.9181 70 E 3.9883 9.0377 115.7824 56.5606 30.2859 176.3089 71 K 3.2392 7.9366 117.5815 56.9725 29.4382 175.2645 72 K 4.7691 7.1982 118.4550 54.7295 36.4824 175.2678 73 L 5.8115 8.4430 125.1507 52.1596 46.6892 175.2051 74 S 5.1288 8.2684 108.9069 58.0200 65.6963 174.9384 75 L 4.4266 8.2598 127.0156 53.5840 43.7340 174.5567 76 H 5.1869 8.7430 122.7198 54.4977 31.2906 173.4202 77 I 4.5227 8.5625 126.5548 59.8505 36.6838 175.4993 78 T 4.3012 8.2932 120.1588 60.7166 68.5230 173.0723 79 D 4.3850 8.3720 121.2682 53.4338 39.6170 172.0283 80 S 4.3454 7.8417 116.8760 59.8963 63.9092 173.9632 81 Q 4.6053 8.0960 113.6972 55.1206 32.0029 171.6346 82 P 4.6173 0.0000 0.0000 65.5270 30.6723 175.8314 83 G 4.1407 7.9670 122.6037 45.9641 0.0000 171.7308 84 D 5.1065 8.1449 120.1557 54.1386 41.3773 176.5343 85 S 4.6455 8.3784 115.6617 57.9070 62.5916 172.6408 86 A 4.5335 7.7609 127.3554 51.9363 22.5761 173.5184 87 T 4.5337 8.1610 112.6132 62.3081 71.0744 173.8022 88 Y 5.3357 8.8260 124.8173 56.6222 40.0842 174.6564 89 F 4.8524 9.2519 124.2172 56.1746 41.4944 174.4436 90 C 4.0378 8.5630 123.1552 54.7998 43.4297 172.6281 91 A 5.2471 8.2414 128.7019 50.2112 21.7539 174.6118 92 A 4.3481 7.6109 116.5632 52.4299 22.2096 175.6130 93 R 4.3507 6.8205 114.5164 55.1140 33.0999 173.0976 94 Y 5.1958 7.6529 117.2080 54.6694 41.3636 174.8318 95 Q 4.0119 8.2483 121.2319 58.3878 29.3603 177.3745 96 G 4.0407 9.0386 113.8862 45.1242 0.0000 173.7529 97 G 3.0110 8.1367 110.0878 45.3831 0.0000 174.9475 *101 R 4.3382 8.7121 120.2427 55.6889 32.1981 175.3316 *103 A 4.5276 7.6846 118.6928 51.7472 19.5630 175.1661 104 L 4.1667 8.2322 124.5304 53.9404 43.4932 175.5620 105 I 4.3403 8.0721 127.3971 59.7470 39.0245 174.7229 106 F 4.9018 8.7645 125.7906 55.7901 39.9283 176.0859 107 G 4.6132 8.7774 110.1272 45.5604 0.0000 174.6334 108 T 4.1839 8.5504 109.3099 62.7302 69.2568 175.4252 109 G 3.2545 7.8826 108.2895 45.8267 0.0000 172.1966 110 T 4.6464 8.1068 118.8165 61.8924 71.7334 173.0704 111 T 4.6861 8.7279 124.2265 62.3289 70.2371 174.0483 112 V 4.5800 8.9633 127.2377 61.5300 34.0904 174.8267 113 S 4.7776 9.1395 123.4817 56.9604 65.4986 172.9149 114 V 4.9271 8.8246 125.4753 60.7299 32.9580 175.0127 115 S 4.6802 8.3417 119.9122 56.2099 65.5569 172.1284 116 P 4.4823 0.0000 0.0000 63.0604 31.0719 176.3212 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 1 Q 8.34 4.35 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 2 Q 7.99 4.29 0.00 2.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.78 0.00 0.00 0.00 0.00 0.00 2.68 2.91 0.00 3 V 7.99 5.45 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 1.08 0.00 0.00 4 R 8.79 4.93 0.00 1.90 2.15 0.00 3.17 0.00 0.00 3.45 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 5 Q 8.43 4.95 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 6 S 8.25 4.80 0.00 3.91 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 0.00 7 P 0.00 4.84 0.00 2.32 2.11 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 8 Q 8.42 4.45 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 9 S 7.88 5.06 0.00 3.71 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 10 L 8.37 4.40 0.00 1.71 1.59 0.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.46 5.06 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 0.95 0.00 0.00 12 V 8.11 3.25 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 0.73 0.00 0.00 0.87 0.00 0.00 13 W 7.15 4.61 0.00 3.49 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 14 E 8.94 4.58 0.00 1.99 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 0.00 2.27 2.34 0.00 15 G 8.24 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 16 E 7.96 4.96 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.03 0.00 17 T 8.69 4.89 4.33 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 1.22 0.00 0.00 18 A 8.95 4.50 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 19 I 8.14 4.68 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.58 0.86 0.00 0.00 20 L 8.75 4.65 0.00 1.94 1.97 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 21 N 9.23 5.35 0.00 2.93 2.81 0.00 0.00 5.98 8.48 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 22 C 8.74 5.41 0.00 3.37 3.27 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 23 S 8.02 5.26 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.27 5.69 0.00 3.34 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.55 4.30 0.00 1.95 2.29 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 2.18 2.19 0.00 26 D 7.43 4.50 0.00 2.07 1.54 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 0.00 0.00 0.00 0.00 27 S 8.50 4.49 0.00 4.08 4.03 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 28 T 7.98 4.12 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 1.13 0.00 0.00 29 F 8.07 4.75 0.00 3.10 2.48 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 30 N 9.39 5.21 0.00 2.79 3.10 0.00 0.00 5.97 7.11 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 31 Y 7.31 4.99 0.00 2.84 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 F 8.88 5.16 0.00 3.02 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 33 P 0.00 4.52 0.00 1.90 1.61 0.00 3.28 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 34 W 9.63 5.09 0.00 3.32 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 35 Y 9.56 5.11 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 9.29 5.28 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 1.62 2.17 0.00 37 Q 9.09 4.83 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 38 F 8.52 5.56 0.00 3.28 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 39 P 0.00 4.25 0.00 2.19 2.14 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 40 G 9.26 4.09 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 0.00 0.00 0.00 41 E 7.95 4.67 0.00 2.18 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 2.32 2.30 0.00 42 G 8.26 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 43 P 0.00 4.64 0.00 1.64 1.73 0.00 3.46 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 44 A 9.02 4.85 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 45 L 8.62 3.32 0.00 1.19 1.45 0.69 0.89 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 46 L 8.69 4.35 0.00 1.51 1.72 0.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.12 4.31 1.76 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 1.35 0.91 0.75 0.00 0.00 48 S 8.60 5.18 0.00 3.69 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.22 4.72 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.34 0.86 0.00 0.00 50 R 8.61 5.01 0.00 1.82 1.85 0.00 3.19 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 51 S 8.92 3.60 0.00 4.00 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 52 V 8.11 3.71 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 0.75 0.00 0.00 0.94 0.00 0.00 53 S 7.55 4.77 0.00 3.99 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 54 D 7.70 4.84 0.00 2.73 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 55 K 7.23 4.17 0.00 1.52 1.55 0.00 1.40 0.00 0.00 1.48 0.00 0.00 2.53 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.87 0.48 7.81 56 K 8.07 4.67 0.00 1.74 1.50 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.78 7.81 57 E 8.53 4.97 0.00 1.77 1.73 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 2.04 2.16 0.00 58 D 8.64 4.46 0.00 2.63 2.61 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 59 G 8.60 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 *61 R 8.94 4.53 0.00 1.50 1.16 0.00 3.38 0.00 0.00 3.18 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.36 0.00 62 F 7.25 4.67 0.00 3.08 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 63 T 7.97 5.08 4.36 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 1.00 0.00 0.00 64 I 8.01 4.20 1.76 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 0.82 0.41 0.89 0.00 0.00 65 F 8.89 4.93 0.00 3.05 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 66 F 8.96 4.95 0.00 2.97 2.95 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 67 N 7.19 4.60 0.00 2.61 2.51 0.00 0.00 6.83 8.48 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 68 K 8.51 3.78 0.00 1.94 1.92 0.00 2.31 0.00 0.00 2.16 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.72 7.81 69 R 8.10 4.06 0.00 1.79 1.96 0.00 3.24 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 70 E 9.04 3.99 0.00 1.88 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 2.26 2.35 0.00 71 K 7.94 3.24 0.00 1.53 0.86 0.00 1.40 0.00 0.00 1.27 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.98 1.12 7.81 72 K 7.20 4.77 0.00 1.65 1.46 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.36 7.81 73 L 8.44 5.81 0.00 2.02 1.89 1.05 1.15 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 74 S 8.27 5.13 0.00 3.89 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 0.00 75 L 8.26 4.43 0.00 0.27 0.64 0.54 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.74 5.19 0.00 3.40 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.56 4.52 1.94 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 1.23 0.70 1.04 0.00 0.00 78 T 8.29 4.30 4.26 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 1.20 0.00 0.00 79 D 8.37 4.38 0.00 2.71 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 80 S 7.84 4.35 0.00 4.21 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.10 4.61 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 82 P 0.00 4.62 0.00 2.06 2.06 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 83 G 7.97 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 0.00 0.00 0.00 84 D 8.14 5.11 0.00 2.98 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 85 S 8.38 4.65 0.00 3.88 3.93 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 86 A 7.76 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 87 T 8.16 4.53 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 88 Y 8.83 5.34 0.00 3.10 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 89 F 9.25 4.85 0.00 3.19 3.14 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 90 C 8.56 4.04 0.00 1.23 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 0.00 0.00 0.00 0.00 91 A 8.24 5.25 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 92 A 7.61 4.35 0.30 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 93 R 6.82 4.35 0.00 1.50 1.62 0.00 2.77 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 94 Y 7.65 5.20 0.00 3.21 3.37 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 95 Q 8.25 4.01 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 96 G 9.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 R 8.71 4.34 0.00 1.86 1.98 0.00 3.42 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 *103 A 7.68 4.53 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 0.00 104 L 8.23 4.17 0.00 1.45 1.37 0.60 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.07 4.34 1.69 0.00 0.00 1.00 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 0.38 0.95 0.00 0.00 106 F 8.76 4.90 0.00 2.78 2.89 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 0.00 107 G 8.78 4.61 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 0.00 108 T 8.55 4.18 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 0.00 109 G 7.88 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 0.00 0.00 0.00 110 T 8.11 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 1.31 0.00 0.00 111 T 8.73 4.69 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 1.20 0.00 0.00 112 V 8.96 4.58 2.22 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 1.06 0.00 0.00 1.26 0.00 0.00 113 S 9.14 4.78 0.00 3.81 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 0.00 114 V 8.82 4.93 2.20 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 1.24 0.00 0.00 1.04 0.00 0.00 115 S 8.34 4.68 0.00 3.87 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.48 0.00 2.10 1.99 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.