NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.2585 8.1844 120.6329 54.1137 43.2894 176.7135 13 D 4.2336 8.6547 122.7123 54.4303 42.2288 176.3210 14 R 4.0587 8.9669 130.1587 62.3357 29.9037 176.1316 15 I 3.9474 8.3729 121.2163 64.8688 35.3143 180.1249 16 D 4.5183 8.1734 122.1522 58.2192 40.9972 179.4075 17 R 3.8593 8.6689 123.7741 62.2898 29.1620 181.0745 18 N 4.7676 8.5036 120.9481 57.8331 37.6805 181.8386 19 I 3.9287 7.9460 122.0275 65.2759 35.5498 180.8594 20 L 4.1610 8.5926 121.8050 57.8215 41.4375 178.8478 21 N 4.4625 8.0690 115.9717 57.1706 38.9046 176.4101 22 E 3.9632 8.3971 119.5749 59.5743 29.4311 179.3325 23 L 4.1378 8.3098 119.0232 58.2540 42.2366 178.3954 24 Q 4.1844 8.8290 122.0770 59.7593 29.0434 178.7005 25 K 4.3140 8.2605 124.2241 58.5835 31.7983 178.7466 26 D 4.4898 7.5112 114.9524 53.6991 44.0756 175.4337 27 G 3.9674 8.9033 116.5062 47.3447 0.0000 174.3637 28 R 3.9593 8.1113 119.1578 58.2202 30.3193 176.6852 29 I 3.8132 7.1821 110.8036 61.1556 38.0654 176.5199 30 S 4.4055 8.2974 116.9403 58.0254 65.2895 174.8706 31 N 4.3580 8.5783 121.0070 56.7347 38.5482 177.3889 32 V 3.8178 7.7133 120.7696 63.7928 31.5459 177.5751 33 E 4.1887 7.7006 122.0631 59.5567 29.3488 178.9827 34 L 4.1065 8.4827 122.6682 59.2747 40.2898 181.2740 35 S 4.4693 8.6984 115.8540 62.3315 62.8995 177.4018 36 K 4.0960 8.0715 127.3061 59.3525 31.1592 181.7710 37 R 4.1272 7.7948 117.3326 59.4657 30.1032 177.9947 38 V 3.7228 7.4295 113.6224 62.7493 32.0883 175.0971 39 G 3.8133 7.6900 106.7322 45.1793 0.0000 172.8125 40 L 4.3504 8.0494 117.4605 54.8161 43.4099 175.7732 41 S 4.1437 8.3531 114.9572 57.8057 62.5511 172.2887 42 P 3.9289 0.0000 0.0000 66.7675 32.0511 178.2468 43 T 3.8324 8.2680 113.7286 68.0558 68.9789 174.8077 44 P 3.8712 0.0000 0.0000 65.0922 31.7608 177.2096 45 C 4.1468 8.0837 115.8913 60.8980 28.8917 175.8120 46 L 4.2623 7.9256 125.0337 58.2835 41.7585 178.7164 47 E 4.3552 8.2777 119.7669 60.3202 29.7582 183.8024 48 R 4.2030 7.2301 118.4922 62.0816 29.4537 184.5151 49 V 4.0255 8.3555 114.6115 64.1217 31.7236 179.4519 50 R 4.7123 7.7139 121.7009 60.9183 29.4767 184.1404 51 R 4.2406 7.8766 116.6854 58.5533 29.0975 178.4704 52 L 3.9004 8.2577 121.4947 57.7978 41.9996 177.9035 53 E 4.2644 8.3164 121.7118 58.9458 29.4371 179.1212 54 R 3.9765 7.9586 120.8938 62.0809 29.5908 180.0925 55 Q 4.4263 8.0367 119.1689 59.1885 29.1508 176.3373 56 G 3.7910 8.0029 105.7832 45.2587 0.0000 174.7626 57 F 3.9410 8.6762 119.5780 59.3737 39.0690 175.1775 58 I 4.2182 7.5209 124.5161 60.0296 37.3825 177.0795 59 Q 3.8136 8.4652 124.7266 56.1542 28.2922 173.0556 60 G 4.2481 5.4649 101.9300 44.6017 0.0000 171.6515 61 Y 4.7612 7.8491 116.7675 56.6474 41.0784 175.0370 62 T 4.5452 8.2338 114.6117 61.2737 70.3654 172.4610 63 A 4.7433 8.3171 127.5812 50.4670 21.0325 176.3508 64 L 4.6454 8.2869 120.3299 53.1030 43.1905 176.3219 65 L 4.6950 8.3789 125.3719 53.1651 44.4692 177.2102 66 N 4.6536 8.7030 123.1564 53.5318 38.3886 172.7155 67 P 4.5323 0.0000 0.0000 65.7102 31.2439 178.9024 *68 H 4.1533 8.0766 116.1933 60.0814 27.8830 178.7868 69 Y 4.4983 7.6695 117.8545 60.6742 38.2984 177.2147 70 L 4.8971 7.9963 126.5415 54.5777 40.4801 180.2364 71 D 4.7010 8.2364 119.7473 52.3280 41.5219 175.0090 72 A 4.6785 7.8870 126.0331 51.0826 21.1197 177.9568 73 S 4.0984 8.3030 118.9404 60.7431 64.2656 174.9939 74 L 4.4610 7.6108 124.3482 53.3675 42.2168 180.2764 75 L 4.9049 8.2390 128.2507 52.5374 44.0307 175.4569 76 V 4.7478 8.7094 125.9512 59.9452 34.6322 174.4451 77 F 5.2663 8.8705 123.6275 56.3961 41.0235 175.1777 78 V 4.9327 9.0022 116.0453 59.6634 35.3086 174.3915 79 E 4.5587 9.7785 126.1431 55.0764 31.0387 175.0981 80 I 4.9786 8.6322 125.6530 59.7558 40.5806 174.9357 81 T 5.1217 8.7409 122.2667 61.8419 71.9184 173.1994 82 L 5.0200 8.8439 126.3368 53.0790 45.0322 176.6929 83 N 4.5043 8.2548 121.4175 53.6254 38.3486 177.0000 84 R 4.5920 8.7715 120.7827 55.7885 31.2025 174.5643 85 G 3.8747 8.0505 111.5284 46.7548 0.0000 177.2268 86 A 4.1234 9.2543 126.8826 51.5425 19.1258 178.2608 87 P 4.5325 0.0000 0.0000 65.5711 31.4488 178.7276 88 D 4.4910 8.2763 117.4474 56.8457 40.6036 178.6510 89 V 3.6179 7.4738 112.3246 64.7152 31.5323 178.1268 90 F 4.3191 7.9797 117.0105 61.0375 38.7783 177.5133 91 E 4.1401 8.5611 117.9213 59.3416 29.1147 178.8477 92 Q 4.0086 7.9286 117.4633 58.8523 28.9892 177.5511 93 F 4.1583 8.6953 121.3144 62.2858 39.5997 176.3218 94 N 4.2250 8.8602 115.8343 56.7057 39.4408 175.4218 95 T 4.6503 7.7837 113.6168 59.1703 65.9662 173.2034 96 A 4.3910 7.0114 130.3195 52.7720 20.9631 177.6178 97 V 3.9601 6.9806 114.6449 61.6402 32.6174 178.2326 98 Q 4.1732 8.0192 121.9951 59.3024 29.0050 177.9065 99 K 3.9095 8.0711 118.2852 57.3738 31.9093 178.4458 100 L 4.0121 7.3794 122.9179 55.3759 40.8310 178.1620 101 E 4.0117 8.7719 121.1212 58.7041 29.4744 176.2067 102 E 4.0398 8.1554 116.6055 58.4709 29.7546 176.0624 103 I 4.1728 7.4757 123.1871 60.7981 36.0938 176.3734 104 Q 4.2591 8.8256 128.5292 58.1003 28.7370 174.8113 105 E 4.8216 8.0411 117.7416 54.6360 34.4045 174.5536 106 C 5.2001 8.6386 122.6554 58.4749 34.4281 172.5264 107 H 5.1229 9.4419 123.5616 53.9190 31.9926 172.9346 108 L 4.8283 8.7351 124.1226 53.9440 42.9716 175.7064 109 V 4.5109 8.4189 120.0423 59.5070 35.0138 175.1200 110 S 4.4913 9.2603 115.8894 55.6340 64.3586 174.4461 111 G 3.7291 8.2684 112.4881 44.9728 0.0000 171.4884 112 D 4.3997 8.3226 118.7771 55.6413 38.9969 176.1249 113 F 5.1287 7.1734 112.8438 55.2198 41.3807 174.1352 114 D 4.6210 9.0087 118.9415 56.1067 42.4247 176.2841 115 Y 5.5838 8.9079 114.5522 56.0658 42.7369 174.6457 116 L 5.1443 9.3344 121.5953 53.9647 45.2898 174.6878 117 L 5.4297 9.3228 129.6248 53.6772 44.5495 176.5274 118 K 4.5240 9.4271 127.6417 53.9389 33.6012 172.9905 119 T 5.1383 8.5392 120.2405 58.2270 71.0630 172.7975 120 R 5.1529 8.4383 123.7054 54.7609 33.6420 175.0544 121 V 4.5245 8.5821 114.4101 59.7321 36.4300 174.1480 122 P 4.2148 0.0000 0.0000 65.4182 31.8469 176.9613 123 D 4.8851 7.5865 119.2971 52.0491 44.1929 177.2271 124 M 4.1232 8.3987 120.1073 58.5269 32.2421 178.8507 125 S 4.0781 8.0812 115.0745 61.4575 63.0488 175.7643 126 A 3.9893 8.0820 123.0726 55.6030 17.9329 178.8516 127 Y 4.0176 7.9495 120.0460 61.7148 38.7531 178.8833 128 R 3.9546 7.9676 122.5851 62.0798 29.4131 181.2857 129 K 4.2728 8.3086 123.6632 59.6964 31.7646 181.7047 130 L 4.1944 7.9392 122.3369 56.6723 41.8569 176.6949 131 L 3.9521 7.2647 120.9556 56.4982 42.2196 174.8035 132 G 4.1398 9.1254 114.3579 45.8237 0.0000 173.8268 133 E 4.1890 7.3630 117.6233 57.8783 29.9489 176.6228 134 T 4.4589 7.6193 109.4359 63.3144 71.2815 175.1739 135 L 3.9393 8.4532 123.4943 58.2151 42.0884 178.8030 136 L 4.0940 7.9580 117.9083 57.3009 41.8069 178.4097 137 R 4.3466 7.3304 115.3764 56.0253 29.5068 182.2799 138 L 4.1335 7.3252 117.8363 54.7292 42.0916 174.5623 139 P 4.0715 0.0000 0.0000 63.3982 30.8290 176.3531 140 G 3.9336 8.4415 109.3684 46.2103 0.0000 170.0938 141 V 4.2805 7.5135 113.5847 59.9299 33.5675 174.2699 142 N 4.5797 8.3634 123.0860 53.4709 38.9985 174.2870 143 D 4.8973 7.6518 116.2867 53.6009 44.8732 175.8233 144 T 5.0159 8.3063 120.3815 63.8397 70.9363 172.9622 145 R 4.4049 8.9274 127.6093 55.4353 31.3495 173.4244 146 T 4.5431 8.1659 118.6972 59.9899 69.6555 173.9922 147 Y 4.6930 8.9426 125.0044 56.2673 40.8632 175.0514 148 V 4.1114 8.3867 117.5501 61.0104 32.7609 175.9887 149 V 4.3880 8.0184 122.9937 60.8289 32.4162 175.8964 150 M 4.2220 8.8350 124.7630 57.2662 32.9851 177.0636 151 E 4.5058 7.8318 113.4330 55.2073 32.3825 179.5466 152 E 4.4858 8.5184 125.2389 53.9007 28.4312 177.0665 153 V 3.8586 8.0973 125.2945 63.4787 31.9118 177.7507 154 K 4.1719 7.7194 120.2607 55.0980 35.8913 180.9463 155 Q 4.4851 8.6612 124.5848 54.3625 29.4634 171.1850 156 S 4.6030 8.3285 122.9891 56.6003 65.7513 173.3272 157 N 4.8090 9.0140 124.3416 52.4331 37.6788 172.6733 158 R 4.0416 7.5227 118.7362 57.9678 29.9411 182.6326 159 L 4.4769 8.4393 125.3032 52.9911 43.0980 174.7753 160 V 4.2809 8.2350 115.2763 61.4623 32.1198 170.7047 161 I 4.2810 8.1770 126.1022 58.1621 36.7106 174.9287 162 K 4.4043 8.5348 130.0116 53.2199 30.9490 174.8031 163 T 4.3803 8.1930 121.8021 59.6943 66.6969 173.6765 164 R 4.3229 7.7493 125.0485 56.0014 30.5340 176.0177 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 12 L 8.18 4.26 0.00 1.70 1.71 0.76 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.65 4.23 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.97 4.06 0.00 1.86 1.93 0.00 3.31 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 15 I 8.37 3.95 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 1.52 0.54 0.91 0.00 0.00 16 D 8.17 4.52 0.00 2.92 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 17 R 8.67 3.86 0.00 1.76 1.96 0.00 3.26 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 18 N 8.50 4.77 0.00 2.72 2.84 0.00 0.00 7.04 7.56 0.00 0.00 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 7.95 3.93 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 1.52 0.54 0.91 0.00 0.00 20 L 8.59 4.16 0.00 1.84 1.81 1.05 0.68 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 21 N 8.07 4.46 0.00 2.95 2.99 0.00 0.00 7.33 6.94 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 22 E 8.40 3.96 0.00 2.23 2.02 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 2.56 2.49 0.00 23 L 8.31 4.14 0.00 1.91 1.91 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.83 4.18 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 25 K 8.26 4.31 0.00 1.87 1.72 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.39 1.32 7.81 26 D 7.51 4.49 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.90 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.11 3.96 0.00 1.80 1.98 0.00 3.41 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 29 I 7.18 3.81 1.87 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 1.36 0.99 1.06 0.00 0.00 30 S 8.30 4.41 0.00 4.05 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 31 N 8.58 4.36 0.00 2.79 2.83 0.00 0.00 6.65 7.71 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 32 V 7.71 3.82 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 0.94 0.00 0.00 0.93 0.00 0.00 33 E 7.70 4.19 0.00 2.00 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 0.00 2.28 2.36 0.00 34 L 8.48 4.11 0.00 1.64 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.70 4.47 0.00 4.28 4.15 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 0.00 0.00 0.00 0.00 36 K 8.07 4.10 0.00 1.80 1.86 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.35 7.81 37 R 7.79 4.13 0.00 1.95 2.02 0.00 3.45 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 38 V 7.43 3.72 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 1.02 0.00 0.00 39 G 7.69 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 0.00 0.00 0.00 40 L 8.05 4.35 0.00 1.70 1.59 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.35 4.14 0.00 3.87 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 42 P 0.00 3.93 0.00 2.20 2.09 0.00 3.68 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 2.12 2.15 0.00 43 T 8.27 3.83 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 44 P 0.00 3.87 0.00 2.32 1.97 0.00 3.80 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 2.12 2.23 0.00 45 C 8.08 4.15 0.00 3.15 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 46 L 7.93 4.26 0.00 1.99 1.85 0.91 0.96 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 47 E 8.28 4.36 0.00 2.06 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 2.22 2.19 0.00 48 R 7.23 4.20 0.00 1.85 1.95 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 49 V 8.36 4.03 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 0.89 0.00 0.00 0.98 0.00 0.00 50 R 7.71 4.71 0.00 1.93 1.93 0.00 3.25 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.00 51 R 7.88 4.24 0.00 2.05 2.21 0.00 2.72 0.00 0.00 3.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 52 L 8.26 3.90 0.00 2.00 1.83 0.59 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.32 4.26 0.00 2.35 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 2.49 2.76 0.00 54 R 7.96 3.98 0.00 1.90 1.89 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.30 0.00 55 Q 8.04 4.43 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.57 2.81 0.00 56 G 8.00 3.79 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 0.00 0.00 0.00 57 F 8.68 3.94 0.00 3.23 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.52 4.22 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.19 0.44 0.00 0.00 59 Q 8.47 3.81 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 60 G 5.46 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 61 Y 7.85 4.76 0.00 2.91 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 62 T 8.23 4.55 4.28 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 1.23 0.00 0.00 63 A 8.32 4.74 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 64 L 8.29 4.65 0.00 1.67 1.64 0.95 0.94 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 65 L 8.38 4.70 0.00 1.60 1.58 0.96 1.06 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 66 N 8.70 4.65 0.00 2.73 2.73 0.00 0.00 6.87 7.76 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 67 P 0.00 4.53 0.00 2.13 2.19 0.00 3.59 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 *68 H 8.08 4.15 0.00 3.01 3.00 0.00 7.21 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.67 4.50 0.00 3.15 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 70 L 8.00 4.90 0.00 1.64 1.11 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.24 4.70 0.00 2.61 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 72 A 7.89 4.68 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 73 S 8.30 4.10 0.00 3.95 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 74 L 7.61 4.46 0.00 1.30 1.62 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.24 4.90 0.00 1.66 1.47 0.63 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.71 4.75 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 0.39 0.00 0.00 0.53 0.00 0.00 77 F 8.87 5.27 0.00 3.12 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 78 V 9.00 4.93 2.18 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 0.94 0.00 0.00 1.11 0.00 0.00 79 E 9.78 4.56 0.00 1.64 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.24 0.00 80 I 8.63 4.98 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.81 0.00 0.00 81 T 8.74 5.12 4.28 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 1.35 0.00 0.00 82 L 8.84 5.02 0.00 0.77 1.09 0.48 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.25 4.50 0.00 2.45 2.71 0.00 0.00 7.57 7.54 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 84 R 8.77 4.59 0.00 1.83 1.84 0.00 3.24 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 85 G 8.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.25 4.12 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 87 P 0.00 4.53 0.00 2.21 2.14 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 88 D 8.28 4.49 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.47 3.62 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 0.93 0.00 0.00 0.90 0.00 0.00 90 F 7.98 4.32 0.00 3.14 3.34 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 E 8.56 4.14 0.00 2.11 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 0.00 2.45 2.42 0.00 92 Q 7.93 4.01 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.61 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 93 F 8.70 4.16 0.00 2.77 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 94 N 8.86 4.23 0.00 3.04 2.88 0.00 0.00 6.88 6.59 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 95 T 7.78 4.65 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 96 A 7.01 4.39 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 6.98 3.96 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 0.50 0.00 0.00 0.53 0.00 0.00 98 Q 8.02 4.17 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 99 K 8.07 3.91 0.00 1.77 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.05 7.81 100 L 7.38 4.01 0.00 1.80 1.63 0.80 0.87 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 0.00 101 E 8.77 4.01 0.00 1.98 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 2.23 1.88 0.00 102 E 8.16 4.04 0.00 2.10 2.24 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 2.33 2.26 0.00 103 I 7.48 4.17 1.96 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 1.08 0.54 0.90 0.00 0.00 104 Q 8.83 4.26 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 105 E 8.04 4.82 0.00 1.99 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 2.36 2.35 0.00 106 C 8.64 5.20 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 9.44 5.12 0.00 3.32 3.27 0.00 5.84 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 0.00 108 L 8.74 4.83 0.00 1.72 1.63 0.25 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.42 4.51 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 0.79 0.00 0.00 0.54 0.00 0.00 110 S 9.26 4.49 0.00 3.84 3.74 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 0.00 111 G 8.27 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 0.00 112 D 8.32 4.40 0.00 2.90 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 0.00 113 F 7.17 5.13 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 114 D 9.01 4.62 0.00 2.84 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.91 5.58 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.33 5.14 0.00 2.15 1.77 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 117 L 9.32 5.43 0.00 1.80 1.63 1.18 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 118 K 9.43 4.52 0.00 1.39 1.70 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.23 7.81 119 T 8.54 5.14 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 1.39 0.00 0.00 120 R 8.44 5.15 0.00 1.66 1.73 0.00 3.21 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 121 V 8.58 4.52 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 0.89 0.00 0.00 1.08 0.00 0.00 122 P 0.00 4.21 0.00 2.18 2.16 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 123 D 7.59 4.89 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 0.00 124 M 8.40 4.12 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.70 0.00 125 S 8.08 4.08 0.00 3.92 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 0.00 126 A 8.08 3.99 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 0.00 127 Y 7.95 4.02 0.00 3.03 3.19 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 0.00 128 R 7.97 3.95 0.00 1.97 1.86 0.00 3.32 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 129 K 8.31 4.27 0.00 1.72 1.84 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.31 7.81 130 L 7.94 4.19 0.00 1.75 1.62 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.26 3.95 0.00 0.76 1.09 0.83 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 132 G 9.13 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 0.00 133 E 7.36 4.19 0.00 1.99 2.02 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 2.25 2.20 0.00 134 T 7.62 4.46 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 0.00 135 L 8.45 3.94 0.00 1.69 1.55 0.92 0.49 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 0.00 136 L 7.96 4.09 0.00 1.64 1.68 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.33 4.35 0.00 1.85 1.81 0.00 3.27 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 138 L 7.33 4.13 0.00 1.86 1.86 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.07 0.00 2.25 2.13 0.00 3.87 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 2.02 2.13 0.00 140 G 8.44 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 0.00 141 V 7.51 4.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.00 0.00 0.00 142 N 8.36 4.58 0.00 2.63 2.79 0.00 0.00 7.04 8.33 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 0.00 143 D 7.65 4.90 0.00 2.81 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 0.00 144 T 8.31 5.02 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 145 R 8.93 4.40 0.00 1.49 1.80 0.00 3.25 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 146 T 8.17 4.54 4.40 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 1.18 0.00 0.00 147 Y 8.94 4.69 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.39 4.11 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 0.50 0.00 0.00 0.92 0.00 0.00 149 V 8.02 4.39 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 0.72 0.00 0.00 1.05 0.00 0.00 150 M 8.83 4.22 0.00 2.03 2.16 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 2.56 2.52 0.00 151 E 7.83 4.51 0.00 1.94 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.85 0.00 152 E 8.52 4.49 0.00 2.18 2.18 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 2.32 2.30 0.00 153 V 8.10 3.86 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 0.70 0.00 0.00 0.94 0.00 0.00 154 K 7.72 4.17 0.00 1.74 1.56 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.20 1.15 7.81 155 Q 8.66 4.49 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.68 0.00 0.00 0.00 0.00 0.00 2.19 1.91 0.00 156 S 8.33 4.60 0.00 3.58 3.70 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 0.00 157 N 9.01 4.81 0.00 2.74 2.74 0.00 0.00 6.81 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 0.00 158 R 7.52 4.04 0.00 1.87 1.76 0.00 3.22 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 159 L 8.44 4.48 0.00 1.65 1.52 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.24 4.28 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 0.91 0.00 0.00 0.93 0.00 0.00 161 I 8.18 4.28 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 1.27 1.16 0.91 0.00 0.00 162 K 8.53 4.40 0.00 1.76 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 0.99 7.81 163 T 8.19 4.38 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 0.00 164 R 7.75 4.32 0.00 1.76 1.65 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 * Residues marked with a * may have inaccurate shift predictions.