NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3169 8.3049 120.3419 55.6683 33.2564 175.6593 2 K 3.9129 7.7347 121.8421 55.6401 34.1958 175.1410 3 T 3.9065 7.5893 125.3925 61.6154 67.8275 175.4624 4 Y 4.2168 5.9645 116.2975 57.6331 38.4437 177.9478 5 V 3.6495 7.9957 120.4853 62.2213 31.7444 174.8242 6 P 4.7810 0.0000 0.0000 61.8577 33.7206 174.8806 7 K 4.6160 8.1122 115.3782 55.1638 35.9201 175.2830 8 Q 3.8048 8.3948 121.2325 55.5805 27.3108 177.9013 9 V 3.9192 8.0098 123.3880 62.1543 32.8038 174.2294 10 E 4.5932 8.3840 121.2415 53.0936 31.3372 172.9517 11 P 4.2753 0.0000 0.0000 63.6468 30.9756 176.3353 12 R 4.5358 8.4429 125.4762 53.9198 28.8591 175.1187 13 W 5.1474 8.6886 122.1585 56.3234 30.3943 175.2483 14 V 5.1072 8.3905 120.0689 60.9008 34.7557 173.3300 15 L 5.2056 8.0510 127.2787 52.8341 44.9883 175.1819 16 I 4.0077 7.9415 118.9383 60.4496 41.0892 173.1688 17 D 5.3326 8.4610 127.3169 52.8486 40.7134 175.0759 18 A 4.4122 7.7228 129.5471 50.8754 18.6116 179.2861 19 E 4.5168 7.7394 121.5304 59.6763 29.8172 178.7582 20 G 4.0221 8.0054 105.7094 44.8893 0.0000 172.5643 21 K 4.7037 9.0996 121.2329 54.0984 35.3222 175.8059 22 T 5.0905 8.6770 121.2735 63.3585 69.6382 173.6134 23 L 4.4888 8.5096 124.6531 56.1449 42.3052 176.1855 24 G 4.3311 9.0736 112.4787 46.2486 0.0000 176.4578 25 R 3.8971 7.7835 117.4806 57.7085 30.5006 177.8538 26 L 4.3347 7.4193 118.2103 57.0032 42.7804 178.0510 27 A 4.1244 8.0560 120.1763 55.3071 18.3505 179.1331 28 T 3.7859 8.2418 112.0152 64.6549 67.2440 175.6489 29 K 4.2855 8.4839 119.9050 57.9050 32.5964 178.6127 30 I 3.7970 7.6375 119.1168 63.6725 36.8902 177.9114 31 A 4.0252 8.0253 122.1983 55.1077 18.2662 179.3018 32 T 3.6963 7.3515 112.5127 67.0790 68.7109 176.7962 33 L 3.7691 8.4326 120.7656 57.3863 41.3814 179.2152 34 L 3.9982 7.3890 119.4905 58.0683 42.0012 177.4184 35 R 4.4019 7.8910 116.5883 55.3942 32.2253 176.2917 36 G 4.3653 8.4873 105.6111 44.4705 0.0000 174.3043 37 K 3.2053 7.3410 117.9980 57.2195 33.0296 176.7095 38 H 4.5766 8.2535 112.7885 56.1020 29.9633 175.2284 39 R 4.2843 7.4755 117.3897 53.8272 30.4720 175.2834 40 P 4.4382 0.0000 0.0000 64.2512 31.2158 176.5984 41 D 4.1958 8.7028 120.4610 56.8179 41.0503 177.7980 42 W 4.5766 7.2068 123.0035 59.0277 28.0780 173.8649 43 T 4.3081 7.6765 126.2148 59.8287 68.0422 173.2272 44 P 3.1000 0.0000 0.0000 63.3247 31.5736 177.0720 45 N 5.0093 8.7949 115.1136 52.5365 37.9903 175.3634 46 V 4.0962 7.4937 116.8430 61.1750 34.3394 174.3928 47 A 3.5542 8.1963 120.3554 52.5765 14.4399 179.3952 48 M 4.5664 7.6038 122.3716 53.2552 30.6054 176.6138 49 G 4.5094 7.6394 111.0285 43.5532 0.0000 169.5942 50 D 4.7569 8.3638 120.0815 54.0532 41.7810 176.9661 51 F 3.9152 8.3737 119.6990 57.0541 39.5363 174.4423 52 V 4.2739 7.9785 125.3535 61.6236 32.7822 174.8115 53 V 4.8372 8.7893 128.1734 60.5883 33.6611 174.1113 54 V 4.7062 8.4033 128.7991 61.6371 33.2264 175.0704 55 V 4.6730 8.3501 126.6225 59.6500 34.3116 175.3512 56 N 4.1832 8.8494 114.4023 54.6239 37.3677 175.7666 57 A 4.4239 8.5027 131.3097 50.3948 18.5196 178.3404 58 D 3.8663 9.4312 115.0224 57.0165 41.8585 174.9081 59 K 4.0198 8.2297 122.8414 58.8812 31.2306 175.9448 60 I 3.7424 9.8235 117.0010 59.1157 36.6634 176.4140 61 R 4.3549 8.7128 127.0151 56.4617 31.5811 176.6006 62 V 4.5874 7.9749 120.5619 61.1471 33.8918 174.5803 63 T 3.9767 8.9483 123.2750 64.6346 69.8998 175.2301 64 G 3.8893 7.8355 109.1983 46.9029 0.0000 175.1221 65 K 4.4623 8.3477 127.0545 56.3069 32.0436 178.0886 66 K 3.9492 7.6776 116.4641 57.6790 32.0988 176.4441 67 L 4.6516 8.2723 120.0112 54.2747 43.6455 175.2151 68 E 4.4361 8.9380 129.9268 57.0621 27.3212 176.3193 69 Q 4.4236 7.7412 113.4717 56.1741 28.9241 175.4590 70 K 4.6756 8.0110 120.9161 54.6361 34.8530 174.9468 71 I 5.3687 8.2799 127.0129 59.9025 40.8028 174.3364 72 Y 4.3427 10.1707 125.0071 57.1643 39.9081 174.7131 73 T 5.1534 8.4076 118.6975 61.9380 71.7800 173.5212 74 R 4.7762 9.1770 124.7425 54.4757 34.3798 174.2012 75 Y 5.1688 8.5359 122.9885 55.5378 40.5938 175.1118 76 S 4.2344 8.5238 122.3247 57.8009 64.1777 175.7969 77 G 3.5950 8.7779 109.4081 47.7220 0.0000 173.3799 78 Y 4.2152 7.4858 117.5496 56.2827 39.1492 172.9822 79 P 4.4554 0.0000 0.0000 63.4746 31.8716 178.0291 80 G 4.0866 9.1356 110.2843 45.9665 0.0000 174.6617 81 G 3.8508 7.6722 108.9181 45.5442 0.0000 174.5714 82 L 5.2236 7.8871 123.2503 53.0843 42.5474 175.3680 83 K 4.3042 9.1687 126.4628 55.9477 33.1973 176.2168 84 K 5.1292 8.6661 123.7473 54.8250 34.9523 175.8828 85 I 4.7084 8.7237 124.3299 59.4242 41.4519 172.9781 86 P 4.7406 0.0000 0.0000 61.7925 32.5525 176.3531 87 L 3.6229 8.6187 122.4849 58.9700 41.8675 179.1156 88 E 3.6432 7.6106 115.2495 59.4107 29.5103 179.3488 89 K 3.8268 8.0487 117.7178 60.8366 32.2295 178.4119 90 M 3.9167 7.9187 117.5414 58.1689 31.7988 178.2098 91 L 3.9238 7.8365 119.3657 58.2706 42.1242 179.1393 92 A 4.3248 7.8017 120.1046 54.0175 18.5022 177.5813 93 T 4.1359 7.8212 113.4364 61.6778 69.2827 173.0224 94 H 4.3239 8.9138 126.7798 57.0604 24.6413 174.6500 95 P 4.3685 0.0000 0.0000 65.6393 31.7814 178.1882 96 E 3.9765 8.2692 116.9402 59.1234 29.2610 179.3165 97 R 4.4585 7.6192 119.4491 58.8335 29.9321 178.6748 98 V 3.5963 7.1798 116.8889 66.1114 31.5070 177.4987 99 L 4.2194 7.8101 118.9758 57.9772 42.2805 178.0852 100 E 4.0036 8.0500 118.2607 60.1985 29.2646 179.2825 101 H 4.3442 9.2007 115.7197 58.2725 28.5023 177.4377 102 A 4.3003 8.0802 122.3091 54.6791 18.4915 179.2897 103 V 3.6832 7.9112 116.7800 65.4258 31.7550 177.6662 104 K 4.0276 8.9737 120.0141 59.8418 32.1492 178.7126 105 G 3.8884 7.7132 103.1540 47.3398 0.0000 173.4273 106 M 4.6951 9.1767 118.2177 54.6465 33.4790 175.3680 107 L 4.6648 7.7627 119.2020 52.1095 43.7072 174.6125 108 P 4.3402 0.0000 0.0000 63.0141 31.8924 177.4451 109 K 4.0743 8.5293 118.9674 58.0587 32.6190 178.3931 110 G 3.9373 7.6731 105.7585 43.3584 0.0000 171.9264 111 P 4.3880 0.0000 0.0000 64.2865 31.1394 178.4761 112 L 4.1226 7.7957 119.7832 57.9531 42.4126 178.3189 113 G 4.4139 8.1051 106.4512 47.4258 0.0000 175.5631 114 R 3.9613 7.5735 119.3515 58.9232 30.4065 178.7113 115 R 4.0324 7.6261 118.6025 59.4454 29.9872 178.2216 116 L 3.8061 8.4776 118.9686 58.0935 41.5222 179.2834 117 F 3.3232 8.0373 118.8686 61.4015 39.2007 177.0040 118 K 4.2000 7.9346 116.5995 58.2156 32.0590 177.3041 119 R 3.9249 8.4946 119.6407 56.1453 29.9228 175.4835 120 L 4.7318 7.3740 119.8453 53.4821 44.6635 175.9962 121 K 4.2546 8.7679 127.8640 54.8577 33.4134 175.2186 122 V 4.7756 7.7294 124.7732 61.3513 33.2663 174.4201 123 Y 4.9146 8.9926 123.5163 56.3121 42.8871 174.1024 124 A 4.6482 8.7790 123.7590 52.1548 19.9750 175.4918 125 G 4.2476 9.0376 113.7756 46.1011 0.0000 175.4032 126 P 4.5661 0.0000 0.0000 63.8845 31.5784 175.3884 127 D 4.4935 9.1353 122.4528 55.0768 38.6412 173.5048 128 H 3.9002 8.1548 120.2954 52.4039 29.6343 173.4184 129 P 4.0383 0.0000 0.0000 64.2921 31.0391 175.8543 130 H 4.5628 7.6821 114.8266 53.7753 28.4579 172.0733 131 Q 4.2703 8.2295 126.6227 55.1986 29.5813 175.4702 132 A 4.9315 8.4034 135.0000 52.5438 19.7453 172.1707 133 Q 3.8289 8.2626 125.9238 54.9780 30.7864 173.2942 134 R 4.8407 8.1654 118.1215 54.8302 30.5274 172.9052 135 P 4.2528 0.0000 0.0000 63.2630 32.5998 176.9115 136 E 4.3697 8.8000 125.1632 57.0088 30.3588 176.4691 137 K 4.5218 8.8895 123.7249 54.6690 36.1286 177.7975 138 L 4.1551 8.4175 129.5412 54.3431 40.0689 177.4763 *139 E 4.1515 7.8977 117.5305 56.0157 30.3597 177.1121 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 M 8.30 4.32 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 2 K 7.73 3.91 0.00 1.45 1.27 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.50 7.81 3 T 7.59 3.91 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 1.17 0.00 0.00 4 Y 5.96 4.22 0.00 3.04 3.16 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 5 V 8.00 3.65 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 0.83 0.00 0.00 0.95 0.00 0.00 6 P 0.00 4.78 0.00 2.24 2.19 0.00 3.74 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 1.99 2.02 0.00 7 K 8.11 4.62 0.00 1.72 1.70 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.45 7.81 8 Q 8.39 3.80 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 9 V 8.01 3.92 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 0.81 0.00 0.00 1.06 0.00 0.00 10 E 8.38 4.59 0.00 1.94 1.83 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 2.20 2.35 0.00 11 P 0.00 4.28 0.00 1.88 1.98 0.00 3.86 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 2.04 1.96 0.00 12 R 8.44 4.54 0.00 2.04 2.27 0.00 3.29 0.00 0.00 3.39 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 13 W 8.69 5.15 0.00 3.18 3.29 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 14 V 8.39 5.11 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 1.41 0.00 0.00 1.03 0.00 0.00 15 L 8.05 5.21 0.00 1.94 1.53 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.94 4.01 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 1.00 0.00 0.00 17 D 8.46 5.33 0.00 2.71 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 18 A 7.72 4.41 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 19 E 7.74 4.52 0.00 2.09 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 2.33 2.32 0.00 20 G 8.01 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 21 K 9.10 4.70 0.00 1.82 1.74 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.38 7.81 22 T 8.68 5.09 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 1.25 0.00 0.00 23 L 8.51 4.49 0.00 1.68 1.69 1.06 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.07 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 0.00 0.00 0.00 0.00 25 R 7.78 3.90 0.00 1.82 2.01 0.00 3.36 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 26 L 7.42 4.33 0.00 1.96 1.70 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.06 4.12 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 28 T 8.24 3.79 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 1.28 0.00 0.00 29 K 8.48 4.29 0.00 1.81 1.77 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.43 7.81 30 I 7.64 3.80 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.85 0.00 0.00 31 A 8.03 4.03 1.38 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 0.00 0.00 32 T 7.35 3.70 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 1.05 0.00 0.00 33 L 8.43 3.77 0.00 1.70 1.59 0.88 0.56 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 34 L 7.39 4.00 0.00 2.02 1.72 0.72 0.85 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 35 R 7.89 4.40 0.00 1.68 2.02 0.00 3.21 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 36 G 8.49 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 0.00 0.00 0.00 0.00 37 K 7.34 3.21 0.00 1.34 1.59 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.10 0.95 7.81 38 H 8.25 4.58 0.00 3.24 3.28 0.00 5.57 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.48 4.28 0.00 2.00 1.90 0.00 3.11 0.00 0.00 3.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 40 P 0.00 4.44 0.00 2.21 2.21 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 41 D 8.70 4.20 0.00 2.77 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 42 W 7.21 4.58 0.00 3.21 3.33 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 43 T 7.68 4.31 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 1.14 0.00 0.00 44 P 0.00 3.10 0.00 1.66 0.72 0.00 3.18 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.00 45 N 8.79 5.01 0.00 2.59 2.72 0.00 0.00 6.61 7.55 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 46 V 7.49 4.10 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 0.81 0.00 0.00 0.94 0.00 0.00 47 A 8.20 3.55 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 48 M 7.60 4.57 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 49 G 7.64 4.51 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 0.00 0.00 0.00 50 D 8.36 4.76 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.37 3.92 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.27 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 0.88 0.00 0.00 0.91 0.00 0.00 53 V 8.79 4.84 2.40 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 1.70 0.00 0.00 1.36 0.00 0.00 54 V 8.40 4.71 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 1.01 0.00 0.00 0.93 0.00 0.00 55 V 8.35 4.67 2.14 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 0.81 0.00 0.00 0.97 0.00 0.00 56 N 8.85 4.18 0.00 2.81 3.31 0.00 0.00 6.95 7.96 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 57 A 8.50 4.42 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 58 D 9.43 3.87 0.00 2.92 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 59 K 8.23 4.02 0.00 2.13 2.00 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.40 7.81 60 I 9.82 3.74 1.89 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 1.25 0.67 1.05 0.00 0.00 61 R 8.71 4.35 0.00 1.87 1.85 0.00 3.31 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 1.69 1.73 0.00 62 V 7.97 4.59 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 0.67 0.00 0.00 0.97 0.00 0.00 63 T 8.95 3.98 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 1.22 0.00 0.00 64 G 7.84 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 65 K 8.35 4.46 0.00 1.88 1.82 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.51 7.81 66 K 7.68 3.95 0.00 1.84 1.91 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.50 7.81 67 L 8.27 4.65 0.00 1.56 1.57 0.93 0.83 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 68 E 8.94 4.44 0.00 2.13 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 0.00 2.59 2.24 0.00 69 Q 7.74 4.42 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 70 K 8.01 4.68 0.00 1.84 1.79 0.00 1.41 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.56 1.65 7.81 71 I 8.28 5.37 1.88 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 1.40 0.82 0.98 0.00 0.00 72 Y 10.17 4.34 0.00 2.86 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 73 T 8.41 5.15 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 1.25 0.00 0.00 74 R 9.18 4.78 0.00 1.75 1.80 0.00 3.09 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 75 Y 8.54 5.17 0.00 2.94 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 76 S 8.52 4.23 0.00 3.86 3.84 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 77 G 8.78 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 78 Y 7.49 4.22 0.00 2.84 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 79 P 0.00 4.46 0.00 2.24 2.02 0.00 3.86 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 2.15 2.10 0.00 80 G 9.14 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 81 G 7.67 3.85 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 0.00 0.00 0.00 82 L 7.89 5.22 0.00 1.82 1.70 1.13 0.73 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 83 K 9.17 4.30 0.00 1.89 1.75 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.56 7.81 84 K 8.67 5.13 0.00 1.63 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.46 7.81 85 I 8.72 4.71 1.95 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 1.30 0.88 0.87 0.00 0.00 86 P 0.00 4.74 0.00 2.24 2.20 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 87 L 8.62 3.62 0.00 1.88 1.74 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.61 3.64 0.00 2.05 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 2.42 2.52 0.00 89 K 8.05 3.83 0.00 1.95 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.67 7.81 90 M 7.92 3.92 0.00 1.72 2.02 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 1.69 2.42 0.00 91 L 7.84 3.92 0.00 1.70 1.73 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.80 4.32 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 93 T 7.82 4.14 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 1.25 0.00 0.00 94 H 8.91 4.32 0.00 3.40 3.37 0.00 5.95 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.37 0.00 2.26 2.45 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 96 E 8.27 3.98 0.00 2.14 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 0.00 2.36 2.32 0.00 97 R 7.62 4.46 0.00 2.02 2.09 0.00 3.28 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 98 V 7.18 3.60 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 0.84 0.00 0.00 0.83 0.00 0.00 99 L 7.81 4.22 0.00 1.74 1.77 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.05 4.00 0.00 2.33 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 0.00 2.27 2.48 0.00 101 H 9.20 4.34 0.00 3.51 3.55 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.08 4.30 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 0.00 103 V 7.91 3.68 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 1.03 0.00 0.00 1.00 0.00 0.00 104 K 8.97 4.03 0.00 1.96 1.82 0.00 1.00 0.00 0.00 1.37 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 0.76 7.81 105 G 7.71 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 0.00 106 M 9.18 4.70 0.00 1.98 2.27 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 2.63 2.47 0.00 107 L 7.76 4.66 0.00 1.69 1.63 1.15 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.34 0.00 2.20 2.04 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 109 K 8.53 4.07 0.00 1.74 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 110 G 7.67 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 0.00 0.00 0.00 111 P 0.00 4.39 0.00 2.16 2.10 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 112 L 7.80 4.12 0.00 1.74 1.64 0.91 1.14 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 0.00 113 G 8.11 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 0.00 0.00 0.00 0.00 114 R 7.57 3.96 0.00 1.74 2.01 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 115 R 7.63 4.03 0.00 2.02 2.07 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 116 L 8.48 3.81 0.00 1.83 1.66 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.04 3.32 0.00 3.12 3.31 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 0.00 118 K 7.93 4.20 0.00 1.92 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.84 7.81 119 R 8.49 3.92 0.00 1.27 0.82 0.00 2.21 0.00 0.00 2.59 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.19 0.00 120 L 7.37 4.73 0.00 1.25 1.17 0.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.77 4.25 0.00 2.11 2.09 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.50 7.81 122 V 7.73 4.78 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 0.82 0.00 0.00 0.85 0.00 0.00 123 Y 8.99 4.91 0.00 2.95 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 0.00 124 A 8.78 4.65 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 0.00 125 G 9.04 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 0.00 126 P 0.00 4.57 0.00 2.20 2.03 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 127 D 9.14 4.49 0.00 2.72 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 0.00 128 H 8.15 3.90 0.00 2.85 3.15 0.00 5.49 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.04 0.00 2.14 2.14 0.00 2.34 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 130 H 7.68 4.56 0.00 3.04 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.23 4.27 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.59 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 132 A 8.40 4.93 1.03 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 0.00 0.00 133 Q 8.26 3.83 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.61 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 134 R 8.17 4.84 0.00 1.92 1.97 0.00 3.20 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 135 P 0.00 4.25 0.00 2.28 2.15 0.00 3.97 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 136 E 8.80 4.37 0.00 1.99 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 2.32 2.34 0.00 137 K 8.89 4.52 0.00 1.73 1.66 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.63 7.81 138 L 8.42 4.16 0.00 1.64 1.64 0.93 0.92 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 *139 E 7.90 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.