NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-7 H 4.7145 8.5445 117.3739 54.6295 29.3113 173.3960 -6 E 4.3857 8.6688 120.4214 54.6217 30.9785 171.2623 -5 N 4.7174 8.6820 115.3415 53.5069 40.2488 174.4980 -4 L 4.2422 8.4158 120.8346 55.0214 42.5509 176.0123 -3 Y 4.8808 9.3378 123.5596 55.6779 39.9586 175.8748 -2 F 5.0289 7.9177 125.4374 57.2728 40.6529 174.9149 -1 Q 3.2506 6.0100 115.3880 56.2738 26.6908 173.5251 0 G 3.9157 7.5769 103.6062 46.8908 0.0000 174.9493 -5 K 4.2974 8.5720 117.0415 56.6069 34.4488 175.8980 -4 I 4.0722 8.2558 118.9346 61.0214 38.9509 174.8123 -3 P 4.7508 0.0000 0.0000 61.0779 34.2586 177.2748 -2 K 4.7289 7.9077 125.5374 55.7728 34.1529 175.7149 -1 I 3.0806 5.6900 115.4880 61.6738 36.0908 173.9251 0 Y 4.5057 7.3669 115.1062 59.6908 33.8200 175.9493 8 V 4.6752 8.7484 123.8674 60.4450 34.5619 174.2829 9 E 4.2761 9.0199 128.9768 57.4770 30.4967 177.1702 10 G 4.5432 8.4912 113.5017 46.7726 0.0000 174.6307 11 E 4.3284 7.6589 120.9804 54.4951 28.3115 177.5357 12 L 2.4400 7.0163 117.5698 54.5693 41.6079 178.2122 13 N 4.6845 7.3461 119.5682 51.8184 39.4925 173.8345 14 D 4.7738 8.6418 116.9378 53.3534 39.5213 176.5608 15 G 4.0164 8.4127 110.2681 44.7226 0.0000 173.5320 16 D 4.7237 8.4520 118.2104 54.6401 42.0773 176.2152 17 R 5.1151 8.5611 118.7986 54.4102 34.6131 174.3582 18 V 4.2279 8.1542 120.7683 60.7856 34.6701 173.9222 19 A 4.7113 8.3967 129.1125 50.0510 21.4721 175.3595 20 I 4.4463 8.3312 123.4460 59.5731 39.8788 174.8851 21 E 4.7797 8.7572 126.1548 53.5477 34.1280 175.5869 22 K 3.9016 8.9833 116.2696 58.4554 29.4117 175.0973 23 D 4.1228 9.2829 109.1683 55.3224 39.9202 173.9710 24 G 3.9344 8.0954 105.3746 44.8926 0.0000 174.7982 25 N 4.5207 7.7551 115.2992 53.5873 39.1293 174.6450 26 A 4.5890 7.5614 120.6803 50.0788 22.1197 174.8081 27 I 4.4334 8.3396 123.3769 59.6169 39.6618 175.4327 28 I 4.3432 8.1490 127.6985 59.1832 40.2718 174.9037 29 F 4.2469 8.8285 126.9928 57.0811 39.2275 175.3624 30 L 4.4972 8.3525 124.8468 53.4540 42.9021 177.1523 31 E 4.1259 10.1002 125.1706 56.8860 29.6040 178.4184 32 K 4.0279 7.6619 122.0296 57.8358 32.5680 178.3781 33 D 5.0107 7.6956 117.6620 52.7013 40.7260 177.9762 34 E 4.2983 8.1549 124.3944 56.5458 30.3097 176.3684 35 E 4.1920 8.7636 122.8198 55.7108 30.2046 172.2859 36 Y 4.7751 8.5643 125.8769 55.4759 39.8901 175.0974 37 S 4.4375 8.2091 121.3314 58.1358 63.9776 174.9124 38 G 3.4383 5.6611 110.6053 45.6383 0.0000 175.0558 39 N 4.4682 8.0676 115.0960 52.3980 35.4722 174.3851 40 G 4.0481 8.2690 108.9289 46.6102 0.0000 173.5953 41 K 4.6681 8.8594 123.2801 53.9916 33.4999 171.9703 42 L 4.6131 8.4124 124.2370 52.6601 43.6118 175.2739 43 L 4.8847 8.4543 124.5805 53.2349 44.2045 175.0578 44 Y 5.1498 8.5954 120.8363 55.8205 40.8073 175.1264 45 Q 4.6857 9.0165 125.7616 56.6105 29.6070 175.7404 46 V 4.6491 7.9200 117.7136 59.2356 36.0934 175.2579 47 I 3.9096 8.2558 123.3428 61.1712 37.5667 175.6009 48 Y 4.2140 8.5580 126.8891 57.6325 39.4555 175.2303 49 D 4.4707 7.3551 127.8164 53.0217 41.6930 172.8481 50 D 4.5386 6.6071 121.6418 53.9815 42.0344 174.4973 51 L 3.7670 8.2307 127.6327 57.5629 42.3578 178.3406 52 A 3.9243 8.0402 120.5995 54.9062 18.3230 178.5585 53 K 3.6921 7.5215 114.6966 58.9534 32.7717 177.3817 54 Y 4.4551 7.4654 117.3174 56.5918 37.2997 176.3294 *56 S 4.3533 7.5315 113.9170 58.6282 64.3002 173.7002 57 L 3.5033 8.0501 130.4449 56.4425 40.5900 175.2631 58 D 4.8187 8.7964 127.9557 54.4061 39.4188 174.8162 59 T 5.0567 7.7814 116.9723 61.6764 70.7592 174.3280 60 L 4.2663 8.9679 127.1750 55.3060 42.1091 178.1637 61 K 4.3361 9.3848 123.2756 57.6365 32.8525 176.8368 62 K 4.8878 7.7964 117.2277 54.1646 36.5883 175.8221 63 D 4.6476 9.0627 122.0459 54.6153 42.1260 175.9217 64 V 5.3413 8.6175 121.8788 61.2035 35.2429 173.4820 65 L 5.2778 8.7725 128.9612 53.3424 44.5987 175.0954 66 I 5.0690 8.8704 127.1194 59.6265 39.7735 174.1066 67 Q 4.6389 8.5264 128.2918 54.3468 30.8274 174.6150 68 Y 4.5721 8.4855 124.7310 56.7115 39.1953 175.0723 69 P 4.4932 0.0000 0.0000 64.5148 31.4228 176.8505 70 D 4.3984 8.2061 120.4281 54.5989 39.8124 177.3455 71 K 3.9719 8.0463 120.0502 55.8115 29.6545 181.7804 72 H 4.7739 8.9757 116.4590 57.3737 32.0283 174.0563 73 T 5.0041 8.1186 114.7772 61.9077 71.1411 173.7546 74 L 5.1846 8.4763 123.1578 54.9920 43.9369 174.8569 75 T 4.7629 8.9825 116.6028 62.0539 72.0034 172.1628 76 Y 5.0588 8.8094 127.5002 55.8398 40.8472 174.5972 77 L 4.3325 8.1499 126.6855 52.2603 44.7332 176.0442 78 K 4.2769 7.9993 125.5529 55.6337 33.5375 176.0454 79 A 4.1969 9.0054 129.2378 54.3064 18.6566 178.4036 80 G 3.9877 9.2026 110.5299 45.1695 0.0000 174.0236 81 T 4.0941 7.7843 117.9369 63.4629 69.5074 173.6393 82 K 4.9743 8.6323 125.7221 55.2644 33.4611 175.9557 83 L 4.9475 8.8579 124.3572 53.0458 44.8020 175.7200 84 I 4.5018 8.2894 121.0425 59.9436 39.4882 174.7256 85 S 5.0187 8.7856 123.4468 57.1011 64.3985 173.8617 86 V 4.4044 8.8566 126.2605 60.3983 32.9454 172.9366 87 P 4.9841 0.0000 0.0000 62.5121 32.8705 176.1478 88 A 4.7322 9.3417 123.1776 50.4221 21.3312 174.3981 89 E 5.2968 7.9011 119.5635 54.4057 32.7238 176.0583 90 G 3.9596 8.6249 111.4144 45.1235 0.0000 172.3259 91 Y 4.4228 9.0806 120.2340 60.2401 38.9951 176.7146 92 K 4.4704 8.4867 117.6571 54.3139 36.2303 175.3657 93 V 4.6620 8.2508 123.6815 61.4022 34.2444 174.7441 94 Y 4.6392 9.2880 126.5660 55.7141 38.7085 173.2314 95 P 5.2615 0.0000 0.0000 61.4791 33.6072 177.4789 96 I 3.9253 8.1629 121.0913 61.1902 38.1999 174.8743 *98 D 4.1058 8.4978 121.7027 55.0138 41.9286 175.3271 99 F 4.8747 8.0725 118.9632 56.8699 43.2704 174.5220 100 G 2.9371 8.5376 110.1354 46.4388 0.0000 173.7724 101 F 4.9279 6.8832 112.3279 54.6932 41.7332 175.5104 102 R 4.6277 8.5819 121.6360 56.1455 31.2150 175.5018 103 V 4.2322 8.4876 116.9442 59.6071 36.7156 174.1849 104 L 4.8299 8.1971 123.1572 52.6432 43.9451 175.6177 105 K 4.0933 8.1607 124.9878 58.5938 32.2559 177.1268 106 G 4.0039 9.2059 115.3676 44.8763 0.0000 172.9741 107 Y 4.0865 7.9883 121.9994 57.8872 39.9736 175.1543 108 R 4.8684 7.8706 126.7279 55.7940 30.3301 175.6616 109 L 4.5479 9.2691 126.3326 55.8194 43.7197 176.1878 110 A 5.1171 7.6960 117.7604 51.3640 22.7491 175.0509 111 T 4.9893 8.8538 116.8051 61.8058 71.5543 173.4463 112 L 5.1981 9.0198 126.0102 52.9261 44.5663 174.8981 113 E 5.1903 9.2659 125.3344 54.3609 32.3520 175.9944 114 S 4.7707 8.7941 121.7828 57.0174 64.4132 175.1030 115 K 3.0990 8.0701 121.3943 58.6828 31.7629 177.4054 116 K 4.1349 7.8351 115.6520 56.4030 32.3471 177.2429 117 G 3.9933 8.1843 107.9326 45.1112 0.0000 173.4838 118 D 4.5185 8.1670 120.6802 53.9012 41.4832 175.1468 119 L 5.1179 8.2323 123.3348 53.5006 43.5084 176.0252 120 R 4.5155 8.4919 120.5806 54.6259 34.8211 173.6904 121 Y 5.2506 8.3880 117.1511 56.2505 42.1250 175.2285 122 V 4.4037 8.8257 121.7719 61.5114 33.8627 174.3617 123 N 5.4478 8.6052 124.7962 51.2075 42.2102 174.0668 124 S 4.4834 9.1469 117.0068 57.9090 62.9627 173.3934 125 P 4.6669 0.0000 0.0000 64.4416 31.7956 175.9273 126 V 4.5575 7.1359 109.9926 59.5971 35.9920 174.6778 127 S 4.6317 8.5572 116.9729 57.0080 64.2294 175.2827 128 G 4.1041 7.0190 109.8969 46.1523 0.0000 170.4164 129 T 4.7204 7.9129 118.8744 61.5025 71.1885 174.5107 130 V 3.7317 8.2036 127.7745 62.7264 31.5488 176.1671 131 I 4.2541 8.7674 122.8147 61.9934 39.2453 174.8676 132 F 4.8496 8.0209 123.1370 57.5547 42.8264 172.3940 *134 N 4.9507 8.5845 115.7347 52.2169 38.1812 173.5680 135 E 3.5510 8.1430 116.8285 55.9477 30.4645 176.5273 136 I 3.9960 8.0477 122.4823 60.0936 37.6844 175.3529 137 P 4.2046 0.0000 0.0000 65.5825 31.3172 178.0733 138 S 4.2415 7.8885 111.0807 60.6181 63.4256 174.3721 139 E 4.5858 7.8383 121.8535 54.7479 30.3689 175.1723 140 R 3.7459 8.1494 121.9286 57.7258 30.6281 178.0792 141 A 3.9602 7.7935 120.1760 54.4299 18.9138 177.2469 142 N 5.0803 8.0796 113.1040 52.5514 40.9582 174.1956 143 Y 5.1893 8.8769 117.8188 56.2162 42.6366 174.8819 144 V 4.8402 8.4981 119.8995 60.1028 34.6139 174.7320 145 F 4.9580 9.1145 122.2769 56.1289 41.4721 174.5723 146 Y 5.3533 9.2891 120.3091 55.4103 41.5201 174.7132 *148 L 4.3058 8.1727 121.7178 54.7895 43.3553 175.4896 149 E 4.5835 8.9344 128.1015 56.0070 30.3344 176.3852 150 E 4.2804 8.7498 123.0084 56.4314 29.8134 175.6590 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 H 8.54 4.71 0.00 2.95 2.95 0.00 7.15 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.67 4.39 0.00 2.05 1.87 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 2.15 1.96 0.00 -5 N 8.68 4.72 0.00 2.81 2.92 0.00 0.00 6.98 7.85 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 -4 L 8.42 4.24 0.00 1.84 1.40 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 9.34 4.88 0.00 2.92 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 -2 F 7.92 5.03 0.00 3.10 3.04 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 -1 Q 6.01 3.25 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.41 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 0 G 7.58 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 -5 K 8.57 4.30 0.00 1.82 1.92 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.40 7.81 -4 I 8.26 4.07 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.46 0.91 0.00 0.00 -3 P 0.00 4.75 0.00 2.18 1.76 0.00 2.20 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 1.94 1.97 0.00 -2 K 7.91 4.73 0.00 1.80 1.75 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 -1 I 5.69 3.08 1.87 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 1.30 1.92 0.91 0.00 0.00 0 Y 7.37 4.51 0.00 2.96 2.92 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 8 V 8.75 4.68 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 0.37 0.00 0.00 0.36 0.00 0.00 9 E 9.02 4.28 0.00 2.19 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 2.36 2.33 0.00 10 G 8.49 4.54 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 0.00 0.00 0.00 11 E 7.66 4.33 0.00 1.84 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 2.55 2.38 0.00 12 L 7.02 2.44 0.00 1.66 1.52 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.35 4.68 0.00 2.72 2.72 0.00 0.00 6.18 8.06 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 14 D 8.64 4.77 0.00 2.83 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 G 8.41 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 16 D 8.45 4.72 0.00 2.94 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 17 R 8.56 5.12 0.00 1.52 1.39 0.00 2.85 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.71 0.00 18 V 8.15 4.23 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 0.10 0.00 0.00 -0.66 0.00 0.00 19 A 8.40 4.71 0.35 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 20 I 8.33 4.45 1.66 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.70 0.35 0.00 0.00 21 E 8.76 4.78 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 22 K 8.98 3.90 0.00 1.89 1.80 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.38 7.81 23 D 9.28 4.12 0.00 2.76 2.70 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 0.00 0.00 0.00 0.00 24 G 8.10 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 0.00 0.00 0.00 25 N 7.76 4.52 0.00 2.82 2.85 0.00 0.00 6.65 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 26 A 7.56 4.59 1.13 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 0.00 0.00 27 I 8.34 4.43 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.44 0.47 0.00 0.00 28 I 8.15 4.34 1.61 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 1.15 0.52 0.84 0.00 0.00 29 F 8.83 4.25 0.00 2.85 2.94 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 30 L 8.35 4.50 0.00 1.50 1.52 0.46 0.88 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 31 E 10.10 4.13 0.00 2.27 1.88 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 2.33 2.12 0.00 32 K 7.66 4.03 0.00 1.78 1.63 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.07 7.81 33 D 7.70 5.01 0.00 2.68 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 34 E 8.15 4.30 0.00 1.96 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 0.00 2.34 2.28 0.00 35 E 8.76 4.19 0.00 2.03 1.74 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 2.23 1.86 0.00 36 Y 8.56 4.78 0.00 2.79 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 37 S 8.21 4.44 0.00 3.69 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 38 G 5.66 3.44 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 0.00 0.00 0.00 0.00 39 N 8.07 4.47 0.00 2.96 3.12 0.00 0.00 6.01 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.27 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 41 K 8.86 4.67 0.00 1.43 1.69 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 1.28 7.81 42 L 8.41 4.61 0.00 1.51 1.02 1.00 0.18 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 43 L 8.45 4.88 0.00 1.46 1.48 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.60 5.15 0.00 3.05 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 45 Q 9.02 4.69 0.00 1.72 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.71 0.00 0.00 0.00 0.00 0.00 2.14 1.83 0.00 46 V 7.92 4.65 2.13 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 0.83 0.00 0.00 0.96 0.00 0.00 47 I 8.26 3.91 1.90 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 1.33 0.48 0.98 0.00 0.00 48 Y 8.56 4.21 0.00 2.85 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 49 D 7.36 4.47 0.00 2.51 2.35 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 50 D 6.61 4.54 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 3.77 0.00 1.50 0.42 0.94 0.84 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 52 A 8.04 3.92 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 53 K 7.52 3.69 0.00 1.26 0.74 0.00 1.34 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.08 1.13 7.81 54 Y 7.47 4.46 0.00 2.94 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 *56 S 7.53 4.35 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.05 3.50 0.00 1.83 0.88 0.93 1.12 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 58 D 8.80 4.82 0.00 3.11 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 59 T 7.78 5.06 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 1.26 0.00 0.00 60 L 8.97 4.27 0.00 1.53 1.72 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.38 4.34 0.00 1.65 1.89 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.59 7.81 62 K 7.80 4.89 0.00 1.53 1.61 0.00 1.97 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.50 7.81 63 D 9.06 4.65 0.00 2.68 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 64 V 8.62 5.34 1.99 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 0.99 0.00 0.00 0.71 0.00 0.00 65 L 8.77 5.28 0.00 1.77 1.51 0.65 1.09 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 66 I 8.87 5.07 1.77 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.53 0.00 0.00 67 Q 8.53 4.64 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.01 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 68 Y 8.49 4.57 0.00 3.11 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 69 P 0.00 4.49 0.00 2.18 2.13 0.00 3.92 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 70 D 8.21 4.40 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 71 K 8.05 3.97 0.00 2.01 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.27 7.81 72 H 8.98 4.77 0.00 3.27 3.31 0.00 5.59 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 73 T 8.12 5.00 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 1.32 0.00 0.00 74 L 8.48 5.18 0.00 1.80 1.68 1.03 0.79 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 75 T 8.98 4.76 4.38 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 1.30 0.00 0.00 76 Y 8.81 5.06 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 77 L 8.15 4.33 0.00 1.36 1.38 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.00 4.28 0.00 1.86 1.58 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.50 1.02 7.81 79 A 9.01 4.20 1.28 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 0.00 0.00 0.00 0.00 0.00 80 G 9.20 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 81 T 7.78 4.09 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 1.19 0.00 0.00 82 K 8.63 4.97 0.00 1.65 1.76 0.00 1.71 0.00 0.00 1.93 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.47 7.81 83 L 8.86 4.95 0.00 1.60 1.71 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.29 4.50 1.92 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 1.39 1.24 0.95 0.00 0.00 85 S 8.79 5.02 0.00 3.79 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 86 V 8.86 4.40 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 1.12 0.00 0.00 0.97 0.00 0.00 87 P 0.00 4.98 0.00 2.15 2.05 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 88 A 9.34 4.73 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 5.30 0.00 1.84 1.85 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 2.20 2.14 0.00 90 G 8.62 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 0.00 0.00 0.00 91 Y 9.08 4.42 0.00 2.91 3.28 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 0.00 0.00 0.00 92 K 8.49 4.47 0.00 1.71 1.24 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.01 0.88 7.81 93 V 8.25 4.66 2.41 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 0.99 0.00 0.00 1.09 0.00 0.00 94 Y 9.29 4.64 0.00 2.89 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 95 P 0.00 5.26 0.00 1.92 1.80 0.00 3.49 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 96 I 8.16 3.93 2.11 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 1.41 0.92 0.55 0.00 0.00 *98 D 8.50 4.11 0.00 2.38 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 99 F 8.07 4.87 0.00 2.96 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 0.00 100 G 8.54 2.94 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 0.00 101 F 6.88 4.93 0.00 2.90 2.94 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 0.00 102 R 8.58 4.63 0.00 1.78 1.80 0.00 3.14 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 103 V 8.49 4.23 1.63 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 -0.18 0.00 0.00 0.79 0.00 0.00 104 L 8.20 4.83 0.00 1.73 1.57 0.93 0.41 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 0.00 105 K 8.16 4.09 0.00 1.78 1.75 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.56 7.81 106 G 9.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.99 4.09 0.00 3.18 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 0.00 108 R 7.87 4.87 0.00 1.68 1.55 0.00 2.98 0.00 0.00 2.83 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 109 L 9.27 4.55 0.00 1.36 0.53 0.45 0.42 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 0.00 110 A 7.70 5.12 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 0.00 111 T 8.85 4.99 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 112 L 9.02 5.20 0.00 1.49 1.58 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.27 5.19 0.00 2.27 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 2.32 2.32 0.00 114 S 8.79 4.77 0.00 4.02 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 0.00 115 K 8.07 3.10 0.00 0.79 1.43 0.00 1.40 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.07 0.65 7.81 116 K 7.84 4.13 0.00 1.99 1.79 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 0.99 7.81 117 G 8.18 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 0.00 118 D 8.17 4.52 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 5.12 0.00 1.43 1.24 0.96 0.91 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 0.00 120 R 8.49 4.52 0.00 1.59 1.67 0.00 3.05 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 121 Y 8.39 5.25 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 0.00 122 V 8.83 4.40 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 1.09 0.00 0.00 1.01 0.00 0.00 123 N 8.61 5.45 0.00 2.69 2.72 0.00 0.00 6.74 7.33 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 0.00 124 S 9.15 4.48 0.00 3.83 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 0.00 125 P 0.00 4.67 0.00 2.23 2.17 0.00 3.76 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 1.99 2.00 0.00 126 V 7.14 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 127 S 8.56 4.63 0.00 3.87 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 0.00 128 G 7.02 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 0.00 0.00 0.00 129 T 7.91 4.72 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 1.16 0.00 0.00 130 V 8.20 3.73 0.67 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 0.95 0.00 0.00 0.40 0.00 0.00 131 I 8.77 4.25 2.14 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 1.50 1.49 1.09 0.00 0.00 132 F 8.02 4.85 0.00 3.37 3.30 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 *134 N 8.58 4.95 0.00 3.15 3.71 0.00 0.00 5.72 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 0.00 135 E 8.14 3.55 0.00 1.67 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 2.02 2.12 0.00 136 I 8.05 4.00 1.90 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 1.25 0.55 0.86 0.00 0.00 137 P 0.00 4.20 0.00 1.98 2.06 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 138 S 7.89 4.24 0.00 3.94 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 0.00 139 E 7.84 4.59 0.00 1.95 1.75 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 2.13 2.22 0.00 140 R 8.15 3.75 0.00 1.72 1.97 0.00 3.19 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 141 A 7.79 3.96 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 0.00 142 N 8.08 5.08 0.00 2.68 2.78 0.00 0.00 6.66 8.06 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 0.00 143 Y 8.88 5.19 0.00 2.81 2.51 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 0.00 144 V 8.50 4.84 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 0.67 0.00 0.00 0.41 0.00 0.00 145 F 9.11 4.96 0.00 3.05 3.02 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 0.00 146 Y 9.29 5.35 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 *148 L 8.17 4.31 0.00 1.85 1.64 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.93 4.58 0.00 2.03 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 2.30 2.47 0.00 150 E 8.75 4.28 0.00 2.18 1.99 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 2.28 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.