NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-4 H 4.7044 8.4449 117.3707 54.3483 28.7173 171.3828 -3 H 4.8709 8.1480 121.1964 53.2779 31.7077 172.0321 -2 H 4.8528 9.6317 121.4299 54.5845 31.9779 172.8814 -1 H 4.8203 8.4108 119.4587 55.7068 32.7545 176.2295 *0 H 3.5795 8.5471 111.9457 57.0124 28.5501 173.6029 -2 D 4.7628 9.5517 123.6299 53.7845 44.0779 175.0814 -1 L 4.4303 8.1508 123.0587 55.8068 46.1545 179.7295 *0 V 2.9695 8.1571 112.9457 64.2124 32.4501 175.8029 5 E 4.1543 8.1754 121.0454 59.8386 29.6821 179.1106 6 K 4.1017 8.0155 121.8614 58.2880 31.7419 179.9016 7 V 4.0482 7.3063 116.8946 65.7375 32.4496 177.3364 8 K 3.9963 8.1287 121.2415 60.0075 31.9137 179.1147 9 E 4.0298 8.3557 118.7971 61.1155 29.7920 181.9680 10 L 4.1319 7.4158 121.1622 57.9116 41.8957 178.9500 11 C 4.0041 7.8264 116.2778 62.7119 28.0157 175.9679 12 L 3.9099 7.4130 118.9563 57.9145 41.0445 179.0364 13 E 3.4935 7.8555 117.7368 59.2347 29.5113 178.1132 14 L 3.9735 7.5178 116.0017 53.9676 42.3155 175.7674 15 E 3.7168 8.9584 119.6618 57.8549 28.5494 173.8794 16 E 4.7540 8.1994 114.3870 54.9886 30.6823 178.0912 17 E 4.0067 8.5355 124.3600 62.3379 30.0890 180.6809 18 N 4.5372 8.2690 119.8868 57.2608 37.5257 178.3519 19 L 4.1076 7.9222 122.3500 58.0899 42.2093 178.8176 20 A 4.0766 8.1841 122.4614 55.8081 18.2571 179.9505 21 K 3.8749 8.3933 122.2178 59.9949 31.6796 180.4879 22 A 4.2939 8.4064 122.6043 55.2873 18.2608 179.5741 23 I 4.1108 8.1583 120.4166 65.5070 37.2020 178.8272 24 E 4.0957 8.5176 121.3456 61.9991 29.3679 181.9303 25 R 4.1132 8.1317 121.6359 61.2126 29.5496 180.1148 26 F 3.8274 8.9151 124.6629 61.8065 38.9687 177.6365 27 I 3.8858 8.8273 122.2570 66.4407 35.0136 180.9049 28 T 4.2391 8.0691 117.6588 66.2501 68.3324 178.5662 29 L 4.3808 7.8746 125.7750 59.5194 41.2043 182.4433 30 T 3.9312 8.2617 115.6398 66.0013 68.1781 184.7381 *31 H 3.5443 8.3119 109.6405 53.6426 29.8375 179.4554 32 G 3.8172 9.0689 109.7132 48.2041 0.0000 174.9407 33 I 4.1036 7.9370 126.4333 65.0653 37.2509 178.1290 34 E 4.9397 7.7269 122.8690 61.4746 29.2191 181.7578 35 K 4.1906 7.8338 123.2748 59.6371 32.1552 180.4942 36 T 4.0980 8.5047 110.8583 64.6169 68.5037 176.1439 37 R 3.9465 8.6239 120.5144 54.6790 31.1891 175.1542 38 G 3.7750 7.2009 102.7246 43.9883 0.0000 174.1416 39 E 4.0542 8.8682 117.9805 58.6382 29.6137 178.0690 40 A 4.0616 7.9459 120.5471 54.8482 18.4288 179.1899 41 F 3.9802 8.2419 118.5026 61.4882 39.6698 176.8963 42 A 4.1473 8.2952 119.8798 55.2344 18.1181 179.6887 43 K 3.3814 8.4755 116.9213 59.4998 32.2021 179.4522 44 A 4.1593 8.6162 121.9124 55.1023 18.0405 179.6571 45 S 3.9833 8.2730 111.9286 61.8174 62.5074 176.5895 46 I 4.0082 7.8256 122.4987 64.6130 36.8076 178.1154 47 Y 4.5396 8.4753 118.2800 60.9443 37.6515 178.7777 48 G 3.6016 8.2980 106.9179 47.5908 0.0000 175.4643 49 F 4.0758 7.8848 123.2538 61.1190 39.2537 177.1367 50 L 3.6661 8.0833 118.6616 57.8045 41.3600 179.2610 51 E 3.9642 8.5849 119.4318 58.8057 29.2825 179.0883 52 G 3.5307 7.8773 106.2150 47.5354 0.0000 175.8023 53 I 3.5889 7.3930 122.0689 63.9796 37.1532 178.1503 54 L 3.9034 7.9626 119.8008 58.5268 41.3613 179.8807 55 T 3.8826 7.8604 114.5217 66.7667 68.3818 176.5127 56 T 4.0298 7.3781 110.6784 64.8503 69.0915 176.3004 57 L 4.2288 7.6580 121.0297 56.9768 42.4173 179.8002 58 K 4.1390 7.9950 123.1486 54.6045 31.1453 177.8707 *60 K 4.1833 8.2819 122.9416 54.0011 33.0768 180.5965 61 Y 4.2503 8.6440 116.0939 60.2032 38.9582 176.6499 62 S 4.8189 8.1911 114.0346 57.3380 63.1444 173.5551 63 N 4.7930 7.8014 120.4849 52.8372 40.0092 176.9196 64 E 4.1516 8.7908 123.5578 59.5622 29.6719 179.7992 65 K 3.8498 8.0618 123.6316 60.0097 31.7261 181.6676 66 I 3.9287 7.2741 123.7015 65.3271 37.2768 179.0300 67 E 4.0515 8.1615 117.8955 61.1241 29.4997 181.4068 68 T 4.0408 7.5677 114.6352 67.1193 68.7088 177.0420 69 L 4.0594 8.5420 120.7697 57.0328 41.5086 179.4146 70 L 3.9092 7.9752 123.4473 58.8600 42.2091 179.1123 71 N 4.5318 8.0087 118.7972 57.6332 37.5161 179.0289 72 E 4.2241 8.1110 119.4693 59.4314 29.4415 179.5743 73 V 3.4168 7.7459 120.8363 66.3761 31.5642 178.9056 74 K 4.0746 8.4734 123.8595 60.1440 31.4473 181.0871 75 T 4.0493 7.9683 116.7098 66.4311 68.3636 176.7911 76 A 3.8985 7.7184 122.3320 54.8946 18.2880 179.7313 77 R 4.0336 8.0866 117.6008 59.4672 30.2451 178.5916 78 E 4.0914 8.5136 118.8311 59.4386 29.3064 178.7950 79 E 3.9297 8.0584 117.8540 59.7204 29.7534 178.4903 80 T 4.1042 7.8194 114.5463 66.7953 68.7014 175.9888 81 E 4.1358 8.1857 117.0564 57.4173 30.3037 177.1985 82 A 4.1308 7.3090 122.7081 52.1322 19.0515 176.6424 83 L 4.7819 8.0449 120.9914 52.8265 44.0586 177.1109 84 L 4.0707 8.7433 124.0294 58.0007 41.9360 178.3033 85 R 4.2599 7.8414 119.8462 56.1572 29.7519 177.5262 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 *-4 H 8.44 4.70 0.00 2.95 2.97 0.00 7.11 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.15 4.87 0.00 3.10 3.07 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 9.63 4.85 0.00 3.05 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.41 4.82 0.00 3.15 3.23 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 H 8.55 3.58 0.00 2.95 3.03 0.00 7.23 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 D 9.55 4.76 0.00 2.48 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 -1 L 8.15 4.43 0.00 1.48 1.69 0.92 1.11 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 *0 V 8.16 2.97 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 0.64 0.00 0.00 0.93 0.00 0.00 5 E 8.18 4.15 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 6 K 8.02 4.10 0.00 1.80 1.80 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.07 7.81 7 V 7.31 4.05 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 0.93 0.00 0.00 1.00 0.00 0.00 8 K 8.13 4.00 0.00 2.00 1.94 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.54 7.81 9 E 8.36 4.03 0.00 2.01 1.94 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 2.24 2.19 0.00 10 L 7.42 4.13 0.00 1.81 1.80 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.83 4.00 0.00 3.28 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 12 L 7.41 3.91 0.00 1.83 1.69 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.86 3.49 0.00 1.92 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 0.00 2.26 2.33 0.00 14 L 7.52 3.97 0.00 1.61 1.03 0.36 0.31 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 15 E 8.96 3.72 0.00 1.99 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 0.00 2.22 2.32 0.00 16 E 8.20 4.75 0.00 2.06 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 2.25 0.00 17 E 8.54 4.01 0.00 1.97 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 2.33 1.98 0.00 18 N 8.27 4.54 0.00 2.72 2.87 0.00 0.00 6.44 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 19 L 7.92 4.11 0.00 1.77 1.85 0.91 0.95 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 20 A 8.18 4.08 1.44 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 21 K 8.39 3.87 0.00 1.74 1.85 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.35 7.81 22 A 8.41 4.29 1.54 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 23 I 8.16 4.11 2.12 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.06 1.07 0.00 0.00 24 E 8.52 4.10 0.00 1.98 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 2.25 2.22 0.00 25 R 8.13 4.11 0.00 1.81 1.97 0.00 3.26 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 26 F 8.92 3.83 0.00 2.63 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.83 3.89 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 1.38 0.56 0.91 0.00 0.00 28 T 8.07 4.24 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 29 L 7.87 4.38 0.00 1.73 1.61 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.26 3.93 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 *31 H 8.31 3.54 0.00 2.94 3.07 0.00 7.18 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.07 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 0.00 0.00 0.00 33 I 7.94 4.10 2.00 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 1.45 0.69 1.03 0.00 0.00 34 E 7.73 4.94 0.00 2.02 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 2.25 2.08 0.00 35 K 7.83 4.19 0.00 1.85 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.07 7.81 36 T 8.50 4.10 4.12 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 1.17 0.00 0.00 37 R 8.62 3.95 0.00 1.22 1.31 0.00 2.24 0.00 0.00 2.82 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 38 G 7.20 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 0.00 0.00 0.00 39 E 8.87 4.05 0.00 2.06 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 0.00 2.36 2.37 0.00 40 A 7.95 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.24 3.98 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.48 3.38 0.00 1.94 1.60 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.06 1.43 7.81 44 A 8.62 4.16 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 45 S 8.27 3.98 0.00 4.05 4.12 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 46 I 7.83 4.01 1.80 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 1.95 0.76 1.06 0.00 0.00 47 Y 8.48 4.54 0.00 3.04 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 48 G 8.30 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.88 4.08 0.00 2.11 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 50 L 8.08 3.67 0.00 1.89 1.66 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.58 3.96 0.00 2.06 2.06 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 2.27 2.28 0.00 52 G 7.88 3.53 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 0.00 53 I 7.39 3.59 1.71 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.05 0.74 0.00 0.00 54 L 7.96 3.90 0.00 1.67 1.68 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.86 3.88 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 1.19 0.00 0.00 56 T 7.38 4.03 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 1.26 0.00 0.00 57 L 7.66 4.23 0.00 1.80 1.89 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.99 4.14 0.00 1.84 2.00 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 *60 K 8.28 4.18 0.00 1.84 1.08 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 61 Y 8.64 4.25 0.00 2.92 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 62 S 8.19 4.82 0.00 3.56 3.62 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 63 N 7.80 4.79 0.00 2.77 2.74 0.00 0.00 6.62 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 64 E 8.79 4.15 0.00 2.07 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 2.36 2.42 0.00 65 K 8.06 3.85 0.00 1.80 1.82 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.12 7.81 66 I 7.27 3.93 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 1.33 0.70 0.90 0.00 0.00 67 E 8.16 4.05 0.00 1.97 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 2.32 1.98 0.00 68 T 7.57 4.04 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 1.23 0.00 0.00 69 L 8.54 4.06 0.00 1.77 1.67 0.92 0.76 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 70 L 7.98 3.91 0.00 1.89 1.79 0.88 0.38 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 71 N 8.01 4.53 0.00 2.81 2.83 0.00 0.00 7.18 6.93 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 72 E 8.11 4.22 0.00 2.14 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 0.00 2.14 2.45 0.00 73 V 7.75 3.42 2.21 0.00 0.00 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 0.86 0.00 0.00 74 K 8.47 4.07 0.00 1.75 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.36 7.81 75 T 7.97 4.05 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 76 A 7.72 3.90 0.76 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 0.00 0.00 77 R 8.09 4.03 0.00 2.07 1.95 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 78 E 8.51 4.09 0.00 2.16 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 2.43 0.00 79 E 8.06 3.93 0.00 1.93 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 2.33 2.43 0.00 80 T 7.82 4.10 4.58 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 1.30 0.00 0.00 81 E 8.19 4.14 0.00 2.15 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 2.59 2.33 0.00 82 A 7.31 4.13 1.33 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 83 L 8.04 4.78 0.00 1.64 1.60 0.93 1.01 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 84 L 8.74 4.07 0.00 1.64 1.73 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.84 4.26 0.00 1.81 1.67 0.00 3.30 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 1.46 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.