NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4232 8.1844 120.6451 54.8134 42.0615 173.5178 8 H 4.7129 8.1920 119.5144 53.3086 32.5855 171.1395 9 K 4.5142 9.3959 126.8284 56.7463 33.4390 175.9292 10 E 4.9245 8.9253 122.0824 53.9274 34.0710 173.3209 11 P 4.9852 0.0000 0.0000 63.3160 32.1884 175.1813 12 A 5.0837 8.5662 122.3634 51.1367 22.8336 175.4691 13 T 4.7044 8.5068 108.4973 59.5015 72.4510 172.9980 14 L 4.2551 8.5030 125.7873 55.6323 42.2692 176.0243 15 I 4.2778 8.7565 128.8479 62.1908 37.4721 175.9026 16 K 4.5335 7.4687 118.0258 55.9573 35.4226 173.8586 17 A 4.4751 8.7017 125.6835 52.2616 19.4162 176.7212 18 I 4.3002 8.1986 122.7283 62.4340 38.8731 175.4068 19 D 4.5637 7.2114 115.9086 52.6056 41.4914 174.2769 20 G 3.9040 9.0286 107.0437 48.9262 0.0000 173.7226 21 D 5.1017 8.2805 116.3786 52.6796 41.2582 175.5287 22 T 5.3376 8.6792 110.3139 60.3101 72.1888 173.2938 23 V 4.7476 8.8243 121.8408 60.2809 35.6152 173.1709 24 K 4.9949 9.3734 124.4133 54.9509 34.0911 174.9702 25 L 5.3057 9.4496 126.6983 53.0981 46.8623 175.5887 26 M 4.8183 9.3530 122.1053 55.1539 33.2476 174.5625 27 Y 4.6774 9.1381 129.1701 55.9177 41.5912 175.4740 28 K 3.3791 8.9710 127.6261 57.7890 28.9618 177.1032 29 G 3.9788 8.7365 103.7551 45.7883 0.0000 173.7945 30 Q 4.6672 7.6492 115.4356 53.3979 32.1119 172.8394 31 P 4.9208 0.0000 0.0000 63.2533 32.5440 175.5056 32 M 4.5612 9.1804 122.1462 54.7616 36.4817 173.3719 33 T 4.7607 8.2908 122.6794 62.6930 70.2577 173.6409 34 F 5.0128 9.6396 126.1441 55.6906 42.0750 174.6730 35 R 5.0093 8.9308 122.3601 54.3261 32.7756 174.8727 36 L 4.6082 8.6804 126.9540 54.2822 41.9192 177.2582 37 L 3.8390 8.5528 124.9441 55.9012 42.1808 177.7444 38 L 3.7556 8.7123 120.0510 55.3000 39.6762 173.8988 39 V 4.9201 7.4214 111.0651 59.5318 34.2978 174.8912 40 D 4.9839 9.0075 124.4909 52.8532 43.5323 175.5681 41 T 4.4712 8.1125 113.3807 59.3109 71.0688 172.9290 42 P 4.6552 0.0000 0.0000 62.7699 32.3612 176.1205 43 E 4.5041 9.1016 121.3463 56.5501 30.7567 177.3222 44 T 4.2910 8.4778 109.0549 63.1600 71.3438 175.4680 45 K 4.4525 7.9341 118.6084 55.6022 32.7231 175.1932 46 H 4.4615 8.0403 120.2569 54.8839 30.0466 174.3598 47 P 4.2979 0.0000 0.0000 64.6710 31.4614 177.2976 48 K 4.2814 7.1134 116.1932 57.4298 32.9648 177.3432 49 K 4.5897 7.5507 113.9264 55.1679 34.6808 178.1886 50 G 3.7118 7.7719 107.1011 46.4680 0.0000 173.8152 51 V 4.4000 8.2990 122.5273 60.5703 33.0754 176.0308 52 E 4.7448 8.9376 123.7315 53.8936 32.8832 175.2038 53 K 3.9019 8.3366 122.9799 58.4217 32.4494 176.5912 54 Y 4.1584 8.2175 123.6115 59.3615 35.8853 171.1333 55 G 3.6304 8.3694 107.6561 47.4866 0.0000 173.9272 56 P 4.2843 0.0000 0.0000 65.3343 31.0437 178.5886 57 E 4.0461 8.2358 116.4524 59.1392 29.4290 179.1273 58 A 4.0642 8.3591 121.2143 55.3473 18.5537 179.7171 59 S 4.1580 8.4299 113.7808 61.9315 62.9483 176.9270 60 A 4.1561 8.2571 123.2961 54.9655 17.9727 179.4924 61 F 3.8320 8.1951 118.6979 61.7732 39.5986 177.5222 62 T 3.8804 8.1367 115.2950 66.4420 68.4167 176.2035 63 K 3.8101 8.4980 121.8593 59.9900 32.0895 178.9120 64 K 4.0135 8.1763 118.2628 59.1299 30.4125 179.1467 65 M 3.8289 8.0076 118.8964 58.7793 31.9873 178.5466 66 V 3.8129 7.6248 110.1052 63.3862 31.9049 177.9646 67 E 4.1850 7.7028 117.6988 58.8679 29.6133 177.8978 68 N 4.5819 8.2440 113.9314 52.9472 39.1636 175.1457 69 A 4.4290 6.8292 124.5021 51.4479 19.3439 177.6290 70 K 4.0790 9.3308 125.4455 58.5031 32.6805 177.0754 71 K 4.6795 8.8125 120.2500 54.4867 35.2464 174.8344 72 I 5.1211 8.3965 126.9587 59.7386 40.5553 174.2911 73 E 5.2438 9.0673 124.0093 54.9857 34.6907 174.7494 74 V 4.8484 8.9983 113.7142 60.0827 36.5478 174.9966 75 E 4.7989 9.5635 124.9954 54.5573 29.6394 172.8271 76 F 5.4406 8.4343 124.4511 55.6907 41.6511 174.3853 77 D 4.4748 8.7164 125.9022 53.1571 39.6044 177.4398 78 K 4.0946 8.5858 121.6281 58.7548 32.2566 177.6694 79 G 3.6722 7.8667 105.4145 45.5688 0.0000 173.3731 80 Q 2.5200 7.7011 118.8883 56.1100 27.0196 174.8321 81 R 4.0101 7.8614 116.5501 56.7935 31.0468 176.8609 82 T 5.1663 8.1692 111.0340 59.7098 72.4164 173.0877 83 D 4.7990 8.3631 121.5892 51.9486 41.7015 176.9702 84 K 3.9053 8.3808 116.9143 59.7240 32.6187 176.9667 85 Y 4.4776 7.9589 115.8955 57.5938 37.8870 176.2145 86 G 3.8952 8.0388 106.9855 45.7515 0.0000 173.8922 87 R 4.2990 8.4163 120.2578 54.9781 31.5419 176.2762 88 G 3.8770 8.2563 112.4122 46.1292 0.0000 172.4386 89 L 5.1211 8.8545 125.4120 54.2827 42.8880 175.9925 90 A 4.5096 8.5821 123.2644 51.6250 23.7480 174.3918 91 Y 4.8648 8.2998 116.8451 56.9826 39.5516 175.2005 92 I 4.8465 8.1655 125.6835 59.7158 40.0113 174.2848 93 Y 4.9753 8.9940 123.8246 56.2031 41.1733 174.7050 94 A 4.4764 9.2864 127.2734 50.1828 20.0283 176.5279 95 D 4.5875 9.6924 125.0884 56.3878 38.7550 175.9760 96 G 4.0092 8.4416 106.3167 45.4211 0.0000 173.7352 97 K 4.4226 7.6575 120.0437 55.3211 33.2871 175.7452 98 M 4.0241 8.5939 123.6741 54.9714 33.4113 176.9531 99 V 3.5839 8.8449 127.0964 66.2553 31.9486 177.7791 100 N 4.3147 8.0712 115.7549 56.4200 38.4002 176.8708 101 E 3.9241 8.1007 119.8671 59.1882 29.7753 178.4016 102 A 4.1599 8.0101 120.7773 55.0992 18.4202 179.7288 103 L 3.5838 7.9360 117.4052 57.8169 41.7709 179.7131 104 V 3.7733 7.4268 118.9513 65.5100 31.2697 178.1079 105 R 3.8957 8.2609 117.4538 58.7505 30.0334 176.8095 106 Q 4.2134 7.2979 113.5451 55.0907 28.7787 175.6910 107 G 3.7275 7.7305 105.8246 46.7373 0.0000 174.5479 108 L 4.5947 7.6581 117.4882 54.1993 42.8768 176.3496 109 A 4.8248 7.5308 119.8262 50.4999 23.1233 175.0288 110 K 4.6465 8.5299 118.8951 54.1313 35.2986 176.1896 111 V 4.2646 8.4213 124.3946 62.8651 32.0230 175.5612 112 A 4.4474 8.9612 130.2721 51.3170 19.3822 176.5122 113 Y 3.9155 8.5553 122.4646 57.3911 39.2521 175.2461 *120 T 4.3788 8.0420 115.9691 62.2746 70.0202 173.4006 121 H 4.6924 8.0569 115.1982 55.7753 28.8206 176.9323 122 E 3.8943 7.6987 124.8223 59.4949 29.3141 178.5544 123 Q 3.9300 8.0340 119.0773 59.5571 28.5742 177.8213 124 H 4.2494 8.1218 118.6323 59.2397 30.1034 177.0788 125 L 3.9265 8.2098 121.2469 57.9456 41.4900 179.7945 126 R 4.0167 8.3682 118.1185 58.5259 29.6836 178.8801 127 K 3.8563 7.7617 119.9378 59.8093 32.2065 178.9708 128 S 4.1089 7.6772 114.5663 61.4771 62.7244 176.2834 129 E 4.0067 8.1192 121.7608 59.2011 29.2882 178.7119 130 A 3.7499 7.9755 120.8131 55.1599 18.4214 179.4291 131 Q 3.8101 7.7977 117.7146 59.2191 29.1235 178.2696 132 A 4.1113 8.0891 121.7816 54.5302 18.2991 179.6419 133 K 3.2317 7.5934 118.5669 59.1208 31.9251 178.5922 134 K 3.7184 7.8040 119.3926 59.8359 32.0621 177.5249 135 E 4.0499 8.1366 115.2657 56.7143 29.6860 176.9733 136 K 3.9805 8.0597 119.2608 57.2818 30.4584 174.8225 137 L 4.2490 8.7017 118.9969 55.9120 43.2097 180.7184 138 N 3.7693 8.6748 117.0935 54.8893 39.9521 176.3955 139 I 3.4889 8.0146 124.5364 64.5494 37.9911 177.2950 140 W 4.7659 8.2818 117.6582 56.6905 29.2004 176.5628 141 S 4.7737 7.7598 118.7550 58.1335 62.3225 174.0161 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 7 L 8.18 4.42 0.00 1.68 1.76 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.19 4.71 0.00 3.21 3.17 0.00 5.73 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 9 K 9.40 4.51 0.00 1.53 1.75 0.00 1.45 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.30 7.81 10 E 8.93 4.92 0.00 2.19 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 2.40 2.63 0.00 11 P 0.00 4.99 0.00 2.09 2.07 0.00 3.81 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 2.01 1.99 0.00 12 A 8.57 5.08 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 13 T 8.51 4.70 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 1.23 0.00 0.00 14 L 8.50 4.26 0.00 1.69 1.63 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.76 4.28 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.93 0.00 0.00 16 K 7.47 4.53 0.00 1.78 1.85 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.41 7.81 17 A 8.70 4.48 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 18 I 8.20 4.30 2.01 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 1.35 0.67 0.89 0.00 0.00 19 D 7.21 4.56 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.03 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 21 D 8.28 5.10 0.00 2.77 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 22 T 8.68 5.34 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 23 V 8.82 4.75 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 1.00 0.00 0.00 24 K 9.37 4.99 0.00 1.80 1.80 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.39 7.81 25 L 9.45 5.31 0.00 1.79 1.67 0.64 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.35 4.82 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 27 Y 9.14 4.68 0.00 3.28 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 28 K 8.97 3.38 0.00 1.67 1.77 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.97 0.32 7.81 29 G 8.74 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 0.00 0.00 0.00 30 Q 7.65 4.67 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.93 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 31 P 0.00 4.92 0.00 1.97 2.04 0.00 3.72 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 2.04 2.11 0.00 32 M 9.18 4.56 0.00 1.70 1.80 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 2.16 1.47 0.00 33 T 8.29 4.76 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 1.21 0.00 0.00 34 F 9.64 5.01 0.00 2.78 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 35 R 8.93 5.01 0.00 1.82 1.75 0.00 3.36 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 36 L 8.68 4.61 0.00 1.55 1.59 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.55 3.84 0.00 1.14 0.99 0.35 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.71 3.76 0.00 1.96 1.80 1.10 0.92 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 39 V 7.42 4.92 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 0.99 0.00 0.00 40 D 9.01 4.98 0.00 2.57 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 41 T 8.11 4.47 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 1.26 0.00 0.00 42 P 0.00 4.66 0.00 2.10 2.17 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 43 E 9.10 4.50 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 2.52 2.36 0.00 44 T 8.48 4.29 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 1.22 0.00 0.00 45 K 7.93 4.45 0.00 1.71 1.80 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.38 7.81 46 H 8.04 4.46 0.00 3.38 3.18 0.00 5.87 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.30 0.00 1.97 2.03 0.00 3.49 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 1.91 2.02 0.00 48 K 7.11 4.28 0.00 1.81 1.88 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.38 7.81 49 K 7.55 4.59 0.00 1.76 1.77 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.49 7.81 50 G 7.77 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 51 V 8.30 4.40 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 0.74 0.00 0.00 0.92 0.00 0.00 52 E 8.94 4.74 0.00 1.91 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 2.24 2.29 0.00 53 K 8.34 3.90 0.00 1.63 1.66 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.41 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.84 7.81 54 Y 8.22 4.16 0.00 3.20 3.20 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 55 G 8.37 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 0.00 0.00 0.00 56 P 0.00 4.28 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 57 E 8.24 4.05 0.00 2.34 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 0.00 2.51 2.51 0.00 58 A 8.36 4.06 1.43 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 0.00 0.00 0.00 0.00 0.00 59 S 8.43 4.16 0.00 4.04 3.96 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 60 A 8.26 4.16 1.43 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 0.00 0.00 0.00 0.00 0.00 61 F 8.20 3.83 0.00 3.39 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 62 T 8.14 3.88 4.30 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 1.24 0.00 0.00 63 K 8.50 3.81 0.00 1.88 2.06 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 64 K 8.18 4.01 0.00 1.68 1.75 0.00 1.82 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.54 7.81 65 M 8.01 3.83 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 66 V 7.62 3.81 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 0.78 0.00 0.00 1.00 0.00 0.00 67 E 7.70 4.18 0.00 2.03 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 2.33 2.41 0.00 68 N 8.24 4.58 0.00 2.69 2.83 0.00 0.00 7.03 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 6.83 4.43 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 70 K 9.33 4.08 0.00 1.72 2.01 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.37 7.81 71 K 8.81 4.68 0.00 1.81 1.80 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.38 7.81 72 I 8.40 5.12 2.08 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 1.35 0.64 0.89 0.00 0.00 73 E 9.07 5.24 0.00 1.94 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 2.22 2.29 0.00 74 V 9.00 4.85 1.66 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 0.30 0.00 0.00 0.84 0.00 0.00 75 E 9.56 4.80 0.00 2.45 2.25 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 2.37 2.49 0.00 76 F 8.43 5.44 0.00 2.72 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 77 D 8.72 4.47 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 78 K 8.59 4.09 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.44 7.81 79 G 7.87 3.67 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 0.00 0.00 0.00 80 Q 7.70 2.52 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 1.90 2.30 0.00 81 R 7.86 4.01 0.00 2.00 1.87 0.00 3.10 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 82 T 8.17 5.17 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 1.35 0.00 0.00 83 D 8.36 4.80 0.00 2.87 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 84 K 8.38 3.91 0.00 1.56 1.77 0.00 1.23 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.95 0.21 7.81 85 Y 7.96 4.48 0.00 3.11 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 86 G 8.04 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 87 R 8.42 4.30 0.00 1.91 1.83 0.00 3.12 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 88 G 8.26 3.88 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 0.00 0.00 0.00 89 L 8.85 5.12 0.00 1.60 1.59 1.02 0.62 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 90 A 8.58 4.51 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 91 Y 8.30 4.86 0.00 3.15 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 92 I 8.17 4.85 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.78 0.84 0.00 0.00 93 Y 8.99 4.98 0.00 2.93 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 94 A 9.29 4.48 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 95 D 9.69 4.59 0.00 2.83 2.76 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 0.00 0.00 0.00 96 G 8.44 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 97 K 7.66 4.42 0.00 1.94 1.79 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.72 1.53 7.81 98 M 8.59 4.02 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.55 0.00 99 V 8.84 3.58 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 0.90 0.00 0.00 100 N 8.07 4.31 0.00 2.91 2.90 0.00 0.00 6.73 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 0.00 101 E 8.10 3.92 0.00 1.98 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 2.37 2.32 0.00 102 A 8.01 4.16 1.65 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 0.00 0.00 103 L 7.94 3.58 0.00 1.87 1.66 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.43 3.77 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 1.10 0.00 0.00 0.94 0.00 0.00 105 R 8.26 3.90 0.00 2.02 1.91 0.00 3.32 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 106 Q 7.30 4.21 0.00 1.60 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.31 0.00 0.00 0.00 0.00 0.00 2.30 2.03 0.00 107 G 7.73 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 0.00 108 L 7.66 4.59 0.00 1.40 1.57 0.54 0.43 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 0.00 109 A 7.53 4.82 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 0.00 110 K 8.53 4.65 0.00 1.71 1.69 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.32 7.81 111 V 8.42 4.26 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 0.77 0.00 0.00 0.94 0.00 0.00 112 A 8.96 4.45 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 0.00 113 Y 8.56 3.92 0.00 3.04 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 *120 T 8.04 4.38 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 1.24 0.00 0.00 121 H 8.06 4.69 0.00 3.18 3.32 0.00 5.64 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 0.00 122 E 7.70 3.89 0.00 1.97 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 2.31 2.33 0.00 123 Q 8.03 3.93 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 124 H 8.12 4.25 0.00 3.29 3.50 0.00 5.92 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 0.00 125 L 8.21 3.93 0.00 1.85 1.70 0.94 0.78 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 0.00 126 R 8.37 4.02 0.00 1.83 1.97 0.00 3.27 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 127 K 7.76 3.86 0.00 1.97 1.80 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.50 7.81 128 S 7.68 4.11 0.00 4.06 3.88 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 0.00 129 E 8.12 4.01 0.00 2.13 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 0.00 2.32 2.71 0.00 130 A 7.98 3.75 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 0.00 131 Q 7.80 3.81 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 132 A 8.09 4.11 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.59 3.23 0.00 0.79 1.44 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.01 0.51 7.81 134 K 7.80 3.72 0.00 1.77 1.98 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.38 7.81 135 E 8.14 4.05 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 136 K 8.06 3.98 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.74 7.81 137 L 8.70 4.25 0.00 2.05 1.70 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.67 3.77 0.00 2.81 2.75 0.00 0.00 7.14 7.32 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 0.00 139 I 8.01 3.49 1.42 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.28 -0.22 0.00 0.00 140 W 8.28 4.77 0.00 3.23 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 0.00 141 S 7.76 4.77 0.00 4.04 3.95 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 * Residues marked with a * may have inaccurate shift predictions.