NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 3.9942 8.0549 117.8893 60.3475 32.8423 177.0434 4 I 4.1294 8.6761 126.8653 59.0462 37.4319 173.7210 5 N 5.0894 8.2058 124.7797 51.7419 38.9084 173.9702 6 T 4.7112 7.7092 108.6182 60.5858 72.5229 174.2089 7 F 4.2496 8.5027 120.3024 61.1607 38.9705 177.8121 8 D 4.5061 8.2927 117.7581 57.3873 40.7897 178.8440 9 G 3.6940 8.0183 105.9808 47.9689 0.0000 175.8880 10 V 3.6518 8.2003 120.6800 65.3473 31.4105 177.9189 11 A 4.0780 8.3410 120.8414 55.4805 18.1469 179.4428 12 D 4.3126 8.3994 117.4466 57.4960 40.8131 178.3216 13 Y 4.0496 8.2998 120.1759 60.8125 38.9186 178.2309 14 L 3.8855 8.1198 119.8461 57.8750 41.4486 179.5563 15 Q 3.6955 7.6177 117.1579 58.6576 28.6499 178.0199 16 T 3.7740 6.9981 116.2193 65.9147 67.6382 176.3025 17 Y 3.8870 7.9490 117.7477 58.0721 37.9448 175.8988 18 H 3.4178 7.6361 114.8733 54.4945 26.3530 174.0058 19 K 4.6722 7.1418 114.2803 56.0210 35.4637 174.8548 20 L 4.1919 8.2513 119.2826 53.2957 42.0557 175.5128 21 P 3.5682 0.0000 0.0000 62.9538 31.6826 177.9675 22 D 4.5383 8.3377 118.3757 55.3691 40.0602 177.4088 23 N 4.7984 7.8195 114.7373 53.9608 38.3287 174.0617 24 Y 5.1845 7.9067 116.2600 56.6324 40.9164 174.8363 25 I 4.9863 8.4522 115.2037 59.5145 42.0454 174.8984 26 T 4.7087 8.2593 112.5958 60.4121 70.5387 175.9428 27 K 3.9730 9.6880 121.1208 59.8513 31.9128 179.7031 28 S 4.2230 8.1628 114.6735 61.7826 62.7442 176.4274 29 E 4.0001 8.1065 120.3613 59.4216 29.1642 179.3558 30 A 4.0367 8.0568 120.6729 55.2144 18.4541 179.5711 31 Q 4.2280 8.5088 116.3258 59.3585 28.6619 178.9279 32 A 4.1077 7.8995 120.0890 55.3807 18.4919 179.2711 33 L 4.2399 7.6739 115.1379 55.6349 41.7853 178.0447 34 G 4.1706 8.1669 107.8468 44.8887 0.0000 173.4976 35 W 4.4451 8.5559 130.5720 56.7822 31.3010 175.8004 36 V 3.7142 9.0129 125.6266 60.5666 32.1309 175.4125 37 A 3.6720 7.4764 131.2569 55.4312 18.0339 179.6099 38 S 4.5020 7.9400 108.9859 60.5445 62.9710 175.0289 39 K 4.3828 7.8901 117.9497 55.0043 33.3010 176.0263 40 G 3.3244 7.2361 106.8049 46.3259 0.0000 174.1426 41 N 4.8257 7.9889 113.1453 52.3967 37.8788 174.8604 42 L 3.9240 8.2947 124.4801 59.0457 41.7963 178.8503 43 A 4.0123 8.1771 119.7350 55.2705 18.0372 179.1713 44 D 4.3258 7.9596 116.3359 56.9130 41.2232 178.2863 45 V 4.2126 7.7597 110.1570 61.3147 33.7923 176.7299 46 A 4.6975 8.2495 121.9429 49.7347 20.0964 173.6326 47 P 4.5220 0.0000 0.0000 63.0607 31.9085 178.0455 48 G 3.8508 8.9034 109.5505 45.3733 0.0000 172.8532 49 K 4.7563 7.6178 118.2396 54.7266 34.7764 175.8531 50 S 4.5132 7.9895 116.8636 56.4911 67.2708 173.6170 51 I 4.2306 7.8389 123.3779 61.1561 38.0365 175.3301 52 G 4.2587 9.3170 112.5266 47.1390 0.0000 173.6707 53 G 4.3340 9.3920 109.8109 44.5853 0.0000 174.0974 54 D 4.7691 8.0147 119.3914 53.8400 42.5570 175.6122 55 I 4.3939 8.2706 121.3611 61.2875 38.1231 175.1866 56 F 4.9111 8.8227 129.4568 56.4119 40.4566 175.2298 57 S 3.9522 8.2796 121.4156 61.5227 63.1013 175.7093 58 N 3.9551 6.4866 118.0887 53.3194 36.4723 176.2666 59 R 3.7244 7.6161 117.6301 59.2881 30.4073 176.8490 60 E 4.2171 8.1986 114.9152 55.8993 29.1780 178.5205 61 G 3.9779 7.8564 105.5708 46.0394 0.0000 175.2285 62 K 3.8820 7.6022 118.4665 58.9856 32.3138 177.1943 63 L 3.7974 7.2102 117.1308 51.9945 42.7231 174.7270 64 P 4.3534 0.0000 0.0000 62.6290 31.8598 176.4010 65 G 4.1702 8.4059 111.9426 44.5237 0.0000 172.7524 66 K 4.4129 7.9124 120.0917 54.9709 34.9674 174.5679 67 S 4.2372 8.5264 120.0505 59.2555 63.6283 174.4527 68 G 3.9055 9.0185 113.2309 44.9232 0.0000 173.0165 69 R 4.1218 7.1972 120.7299 55.1631 31.0432 175.2838 70 T 4.6507 8.8240 115.8314 59.6665 71.9185 172.9447 71 W 4.9595 8.6102 123.0641 55.5182 31.6788 175.3208 72 R 5.1932 8.7654 121.7296 54.2624 33.8967 174.1696 73 E 5.5019 9.1035 118.4802 55.0311 33.4000 174.4775 74 A 4.9466 8.6490 120.7878 50.8656 23.0783 175.4214 75 D 5.0107 8.9588 121.1941 54.2109 41.7603 176.1666 76 I 4.3193 8.0773 122.5675 60.1917 40.1771 175.3572 77 N 4.2043 8.8161 121.3331 53.9285 36.5802 174.1338 78 F 4.4624 8.0202 120.5201 57.9099 40.3630 174.7494 79 T 4.1249 7.2389 115.2911 62.7676 70.6925 173.4878 80 S 3.9443 6.8819 112.8870 57.5245 65.9176 174.6908 81 G 3.8404 8.4492 106.3148 44.8403 0.0000 173.2261 82 F 4.5102 8.6296 119.1588 57.0778 39.8371 175.5946 83 R 4.3263 8.7820 122.3469 56.4340 30.6865 176.5289 84 N 5.0876 8.4950 118.2347 51.9325 40.1648 174.7371 85 S 4.2503 8.4640 112.6875 58.6153 64.4899 172.8507 86 D 5.4158 8.1934 122.0736 53.6941 42.2020 175.8033 87 R 4.9796 9.0370 121.4746 54.6251 35.3914 173.6501 88 I 5.0522 8.9393 122.8223 59.4501 40.6376 174.0804 89 L 5.5324 9.3327 129.6344 53.1976 44.3292 174.9999 90 Y 5.7110 9.0801 122.3241 55.3357 41.5149 175.5546 91 S 4.1346 8.6242 117.8317 55.8616 64.8665 175.3253 92 S 3.4896 7.8554 114.3051 60.1786 62.8703 174.6628 93 D 4.5323 7.2086 118.7252 52.2284 39.2495 175.8721 94 W 3.8042 6.5469 116.9194 58.3123 27.2350 174.2450 95 L 4.5381 8.4152 118.6439 54.5246 42.7882 176.2310 96 I 5.4648 8.5647 123.1814 59.9639 40.4489 174.2806 97 Y 5.3817 9.8094 123.9512 56.0516 42.4767 174.4810 98 K 5.3426 9.6604 120.4688 55.6002 36.5090 174.8170 99 T 5.0018 8.6193 114.7811 60.5238 70.9392 174.0806 100 T 4.9364 8.6216 115.0021 60.1271 69.8902 173.3692 101 D 4.6922 7.5869 119.2729 53.5709 40.8552 175.2418 102 H 3.5325 8.3154 112.8163 58.5988 25.9239 174.9014 103 Y 3.1420 7.2791 109.8006 58.9387 36.2420 172.6135 104 Q 4.1020 7.6751 118.3438 58.5950 28.9027 176.6653 105 T 4.6338 8.0541 105.7810 59.6851 71.8879 172.8688 106 F 5.4772 8.4866 119.9782 56.1768 43.2670 174.3117 107 T 4.8692 8.9723 110.8375 59.6795 72.2184 173.0703 108 K 3.7992 8.9046 126.7923 56.4808 32.2204 176.1583 109 I 4.4876 8.5710 119.7457 60.9093 40.2190 175.8618 110 R 4.1700 7.5402 126.3950 56.5336 31.1089 174.5188 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 *3 V 8.05 3.99 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 8.68 4.13 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 0.88 0.00 0.00 5 N 8.21 5.09 0.00 2.74 2.81 0.00 0.00 5.79 7.22 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 6 T 7.71 4.71 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 1.21 0.00 0.00 7 F 8.50 4.25 0.00 3.14 3.13 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 8 D 8.29 4.51 0.00 2.76 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 9 G 8.02 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.20 3.65 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 0.82 0.00 0.00 1.04 0.00 0.00 11 A 8.34 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.40 4.31 0.00 2.94 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 13 Y 8.30 4.05 0.00 3.20 3.09 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 14 L 8.12 3.89 0.00 1.93 1.76 0.60 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.62 3.70 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 16 T 7.00 3.77 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 0.49 0.00 0.00 17 Y 7.95 3.89 0.00 2.43 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 18 H 7.64 3.42 0.00 3.17 3.29 0.00 5.99 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 19 K 7.14 4.67 0.00 1.95 1.89 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.60 7.81 20 L 8.25 4.19 0.00 1.65 1.51 0.72 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.57 0.00 2.23 1.21 0.00 3.43 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.11 0.00 22 D 8.34 4.54 0.00 2.69 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 23 N 7.82 4.80 0.00 2.72 2.89 0.00 0.00 6.65 7.45 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 24 Y 7.91 5.18 0.00 2.83 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 25 I 8.45 4.99 1.96 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 1.18 1.10 0.93 0.00 0.00 26 T 8.26 4.71 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 K 9.69 3.97 0.00 1.91 2.16 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.90 1.61 7.81 28 S 8.16 4.22 0.00 3.92 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 29 E 8.11 4.00 0.00 2.30 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 2.36 2.37 0.00 30 A 8.06 4.04 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 31 Q 8.51 4.23 0.00 2.47 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 32 A 7.90 4.11 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 33 L 7.67 4.24 0.00 1.85 1.78 0.93 1.49 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 34 G 8.17 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 0.00 0.00 0.00 0.00 35 W 8.56 4.45 0.00 3.17 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 9.01 3.71 1.96 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 0.79 0.00 0.00 0.90 0.00 0.00 37 A 7.48 3.67 0.91 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 0.00 0.00 38 S 7.94 4.50 0.00 3.84 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 39 K 7.89 4.38 0.00 1.80 1.77 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.32 7.81 40 G 7.24 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.99 4.83 0.00 2.95 3.03 0.00 0.00 5.71 6.67 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 42 L 8.29 3.92 0.00 1.42 1.81 0.36 0.31 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 43 A 8.18 4.01 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 44 D 7.96 4.33 0.00 2.82 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 45 V 7.76 4.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.11 0.00 0.00 46 A 8.25 4.70 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.52 0.00 2.16 2.17 0.00 3.42 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 48 G 8.90 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 49 K 7.62 4.76 0.00 1.60 1.58 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.55 7.81 50 S 7.99 4.51 0.00 2.74 3.45 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 51 I 7.84 4.23 1.62 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.25 0.83 0.00 0.00 52 G 9.32 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 0.00 0.00 0.00 0.00 53 G 9.39 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 54 D 8.01 4.77 0.00 2.71 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 55 I 8.27 4.39 1.88 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 1.22 0.33 0.95 0.00 0.00 56 F 8.82 4.91 0.00 3.00 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 57 S 8.28 3.95 0.00 3.82 3.78 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 58 N 6.49 3.96 0.00 2.76 2.92 0.00 0.00 6.73 7.65 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 59 R 7.62 3.72 0.00 1.55 1.81 0.00 3.23 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 60 E 8.20 4.22 0.00 2.10 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 0.00 2.42 2.31 0.00 61 G 7.86 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 62 K 7.60 3.88 0.00 1.80 2.06 0.00 2.03 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.65 7.81 63 L 7.21 3.80 0.00 0.72 0.13 -0.40 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.35 0.00 2.28 2.10 0.00 3.47 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 65 G 8.41 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 0.00 0.00 0.00 0.00 66 K 7.91 4.41 0.00 1.75 1.56 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.38 7.81 67 S 8.53 4.24 0.00 4.00 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 68 G 9.02 3.91 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 0.00 0.00 0.00 69 R 7.20 4.12 0.00 1.54 1.91 0.00 3.22 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.92 0.00 70 T 8.82 4.65 4.16 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 1.11 0.00 0.00 71 W 8.61 4.96 0.00 3.47 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.77 5.19 0.00 0.67 1.31 0.00 3.03 0.00 0.00 3.47 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.28 0.00 73 E 9.10 5.50 0.00 2.16 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 0.00 2.47 2.38 0.00 74 A 8.65 4.95 0.98 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 75 D 8.96 5.01 0.00 2.72 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 0.00 0.00 0.00 76 I 8.08 4.32 1.05 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.06 -0.15 0.00 0.00 77 N 8.82 4.20 0.00 2.82 2.92 0.00 0.00 6.91 7.81 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 78 F 8.02 4.46 0.00 2.87 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 79 T 7.24 4.12 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 80 S 6.88 3.94 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.45 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 0.00 0.00 0.00 82 F 8.63 4.51 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.78 4.33 0.00 1.96 1.90 0.00 3.10 0.00 0.00 3.50 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.65 0.00 84 N 8.50 5.09 0.00 2.86 2.98 0.00 0.00 5.98 7.64 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 85 S 8.46 4.25 0.00 3.85 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 86 D 8.19 5.42 0.00 2.94 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.04 4.98 0.00 1.50 1.79 0.00 3.55 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 0.00 88 I 8.94 5.05 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.89 1.06 0.00 0.00 89 L 9.33 5.53 0.00 1.85 1.66 0.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.08 5.71 0.00 3.14 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 91 S 8.62 4.13 0.00 2.93 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 92 S 7.86 3.49 0.00 3.68 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.21 4.53 0.00 2.71 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 94 W 6.55 3.80 0.00 3.58 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 95 L 8.42 4.54 0.00 1.76 1.87 1.22 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.56 5.46 1.98 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.27 1.12 0.00 0.00 97 Y 9.81 5.38 0.00 2.84 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 98 K 9.66 5.34 0.00 1.23 1.69 0.00 0.74 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.02 1.13 7.81 99 T 8.62 5.00 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 1.03 0.00 0.00 100 T 8.62 4.94 4.39 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 1.27 0.00 0.00 101 D 7.59 4.69 0.00 2.71 2.65 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 0.00 102 H 8.32 3.53 0.00 3.49 3.44 0.00 5.96 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.28 3.14 0.00 3.13 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 0.00 104 Q 7.68 4.10 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 105 T 8.05 4.63 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 1.17 0.00 0.00 106 F 8.49 5.48 0.00 2.78 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 0.00 107 T 8.97 4.87 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 108 K 8.90 3.80 0.00 1.49 1.63 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.18 0.90 7.81 109 I 8.57 4.49 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.79 0.00 0.00 110 R 7.54 4.17 0.00 1.86 1.82 0.00 3.45 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.