NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6965 8.4201 119.2042 53.2642 41.7617 175.9418 0 A 4.0684 8.1329 127.7736 52.0886 17.6444 177.8019 2 K 4.0489 9.0847 116.2141 57.6110 31.9584 173.1531 3 K 4.0661 8.3232 129.6222 57.6307 32.8969 176.6160 4 G 3.8584 8.7883 107.1706 44.4610 0.0000 172.7863 5 T 4.4152 8.2035 106.3759 61.1019 70.0475 174.5628 6 V 3.9723 7.5656 122.3730 61.9927 30.1587 174.5879 7 L 4.2996 8.0495 125.9846 55.8862 42.7870 177.9719 8 N 4.4649 7.9580 117.7284 53.2438 40.4419 175.5901 9 S 4.1400 8.6155 122.9516 61.6857 63.2370 176.6137 10 E 3.9662 8.2029 121.8155 59.0091 29.3625 179.1001 11 I 3.6814 8.1116 119.8307 64.4942 37.2265 178.5991 12 S 4.1131 8.0935 115.9012 61.5714 62.4390 176.7048 13 S 4.0590 7.9404 114.7005 61.3977 62.5020 176.2990 14 V 3.7628 7.9921 122.0005 64.9663 31.2783 178.2642 15 I 3.7279 7.9033 120.9197 63.9408 36.7647 178.1430 16 S 4.3704 7.9319 112.8113 59.9937 63.1484 175.4381 17 R 4.3900 7.5315 120.3666 55.2159 30.8647 176.4102 18 L 4.2477 7.2710 119.7400 54.5951 42.3844 176.4022 19 G 4.1725 9.0713 111.0930 43.0270 0.0000 171.6855 20 H 4.4586 8.6071 118.7091 58.0838 29.8019 175.3868 21 T 3.4662 8.8002 116.1562 61.5751 68.7690 171.9494 22 D 4.6601 7.8951 122.8996 54.9196 42.1491 175.4906 23 T 5.1286 8.4164 110.7126 59.8966 72.5572 172.4201 24 L 4.9848 8.7441 124.0086 53.3978 45.7501 175.0187 25 V 4.8452 8.7070 125.8313 61.1825 34.1673 174.2108 26 V 4.9358 8.7214 127.6372 61.3341 33.7053 174.1496 27 C 5.6757 9.1348 122.0256 56.4792 33.6215 172.8625 28 D 5.1882 9.6401 119.7074 52.0222 41.0355 177.2354 29 A 4.0928 8.9906 121.3380 54.1162 18.2758 178.4731 30 G 3.9731 8.0265 102.9456 44.8314 0.0000 173.6412 31 L 4.1510 7.5892 122.9577 53.8298 42.5988 174.9457 32 P 4.4205 0.0000 0.0000 62.7049 32.0023 175.7173 33 I 4.4353 8.0062 121.0762 58.6068 39.0244 173.9900 34 P 4.4453 0.0000 0.0000 62.5572 31.7147 176.9351 35 N 4.5783 8.5784 116.8741 54.4354 37.6579 175.7291 36 S 4.4492 7.9110 112.7062 59.0747 63.5157 173.5506 37 T 4.6031 7.4259 114.6935 60.0037 70.4864 173.0034 38 A 4.2023 8.0865 127.6489 51.9596 19.8056 176.4459 39 R 4.6419 8.5527 122.0570 54.8803 31.7818 175.6218 40 I 4.3414 8.7096 128.9159 59.8652 38.6401 174.5241 41 D 4.9383 8.5140 126.3626 52.7108 43.1294 175.4101 *43 A 4.0283 8.2931 123.7719 52.3147 19.0878 175.8473 44 L 4.2207 8.9026 124.9666 56.8306 43.0596 175.9508 45 T 4.4319 7.3584 109.9603 60.6104 70.1927 171.7696 46 Q 4.0037 8.6169 121.9648 57.7938 28.6369 178.1114 47 G 3.8843 9.2104 111.4687 45.3900 0.0000 173.0121 48 V 4.4370 7.9362 120.2974 60.2486 34.1812 173.3155 49 P 5.0497 0.0000 0.0000 62.1199 33.4477 175.8598 50 S 4.7234 9.2706 116.0487 57.4035 64.6980 175.2482 51 F 4.0816 9.0067 119.3293 59.7149 39.1357 176.7960 *53 Q 4.1922 8.1608 119.6738 55.6891 30.6316 177.8148 54 V 3.4772 7.6294 116.5056 65.9038 31.5505 178.1285 55 V 3.3747 7.5060 118.1025 65.9185 31.0516 177.3185 56 D 4.3244 7.8338 115.8196 57.4610 41.3389 177.9972 57 V 3.6905 7.7021 118.5928 65.9347 31.6788 177.9604 58 V 3.5848 8.0086 118.5717 66.2437 31.1795 177.6200 59 T 4.2027 7.7539 106.5380 63.3459 68.9829 176.4276 60 R 4.0746 7.6640 120.6728 57.9415 30.4503 176.3484 61 E 4.4536 7.7680 119.3261 55.5270 30.1868 175.9101 *63 Q 4.0979 7.9114 116.3988 55.7163 30.6296 174.9447 64 V 4.8958 8.5808 124.5849 61.2541 32.5216 174.9597 65 E 4.6753 9.3532 125.2378 56.8659 31.8778 175.2397 66 A 4.7817 7.6259 120.0234 50.9982 23.0708 174.7708 67 A 5.1471 9.3451 120.6161 50.3485 22.9328 175.3432 68 I 4.9668 9.0402 122.5552 59.5347 40.5589 174.8639 69 L 5.3276 8.6068 124.3226 52.6050 46.6438 175.8614 70 A 4.6241 8.0886 123.4901 52.1236 19.3498 179.0835 71 T 3.9235 8.9733 119.8032 66.8308 68.4388 176.8231 72 E 3.6504 7.9194 119.9073 59.2447 29.1671 179.0233 73 I 3.6612 7.4421 118.5312 63.6661 37.6957 178.0011 74 K 3.7251 7.4763 118.6717 59.6564 31.9979 178.8833 75 Q 4.1325 7.8220 115.9610 58.0879 29.0510 177.4022 76 Q 4.5036 7.8102 116.2607 55.7331 30.8955 175.6941 77 N 5.0337 8.2077 119.2418 50.8084 39.8623 173.2939 78 P 4.3118 0.0000 0.0000 66.0626 31.9598 178.3953 79 Q 4.0754 8.0171 117.0923 58.9003 28.6282 178.1086 80 L 3.9564 7.8336 121.8615 57.9582 42.2624 177.9022 81 H 4.1667 8.4358 118.5227 59.6279 29.7349 176.5306 82 E 3.8826 8.5999 120.3029 60.1309 29.3844 179.5092 83 T 3.9077 8.0495 115.2809 66.7236 68.4373 176.4743 84 L 4.1047 8.2496 122.2086 58.1006 42.1164 178.9610 85 L 4.0075 8.0485 118.9463 58.1207 41.5863 179.5354 86 T 3.8647 8.0491 115.6298 66.9758 68.3346 176.0633 87 H 4.2514 8.3056 119.9544 59.4332 29.9404 177.3628 88 L 3.9274 8.2635 120.8743 57.5606 41.2788 179.4220 89 E 3.9746 8.3370 118.9654 59.6056 29.4168 179.4149 90 Q 4.0333 8.1855 118.1038 58.5713 28.7141 178.4418 91 L 3.9727 8.2415 122.0958 58.2317 42.2066 179.0781 92 Q 4.3125 8.0095 118.9166 58.7807 28.1823 178.5750 93 Q 3.9521 7.6610 118.8141 59.2447 28.8802 178.2002 94 H 4.3185 8.0690 115.7790 58.9336 28.7960 177.6162 95 Q 4.2167 8.5107 119.2810 56.4408 28.6196 176.7356 96 G 3.8738 8.2040 107.6558 46.1835 0.0000 172.6234 97 N 4.9415 7.7593 116.8280 51.1647 40.3147 171.8858 98 T 4.5216 8.2837 111.7591 60.5309 69.3852 173.4568 99 I 4.3428 8.6844 130.8588 60.3500 38.0222 175.7861 100 K 4.2102 8.7032 129.6499 56.2652 33.2869 175.4563 101 I 5.0345 8.3771 127.9982 59.6293 39.3987 174.9189 102 S 4.7998 8.6428 120.0321 57.0327 67.0587 172.2424 103 Y 5.3035 8.6030 117.2613 56.5391 41.2287 174.8505 104 T 4.9768 8.9248 112.4761 59.6858 73.2522 173.3395 105 T 4.2811 8.4206 111.1049 61.6002 69.5674 174.7920 106 H 4.2163 8.5634 121.2465 59.5398 29.6252 177.5315 107 E 3.9484 8.2432 120.0015 59.6121 29.3736 179.0205 108 Q 4.0100 8.0032 119.6209 58.7237 29.0735 177.6062 109 F 4.0392 8.5209 122.2424 61.4426 39.2023 177.1010 110 K 3.9873 8.2018 116.5668 59.6068 32.1627 179.0750 111 K 4.1022 7.8715 118.4212 59.5722 31.9798 179.4232 112 L 3.9739 8.0113 119.3701 57.8163 41.4259 179.5674 113 T 3.7018 7.7880 109.6597 64.6983 68.2307 176.2039 114 A 4.0642 7.7133 122.5668 54.2499 18.4034 177.6339 115 D 4.6475 7.7186 115.2711 54.1023 41.4696 176.8965 116 S 4.9950 7.3910 114.0189 56.9803 64.4370 174.5417 117 Q 4.0697 8.9435 120.4487 58.9194 28.8811 176.1951 118 A 4.8937 7.4136 117.1278 50.9512 23.4421 175.4658 119 V 4.6357 8.7702 120.3194 61.2490 34.1257 174.6146 120 I 4.6760 9.1857 130.2413 60.0126 38.5263 174.7809 121 R 4.6824 8.9312 129.7869 55.4389 30.6982 176.3373 122 S 4.6459 8.9310 122.2573 56.9848 65.4853 174.1181 123 G 3.9860 8.9392 105.3542 46.3612 0.0000 173.3842 124 E 4.4655 8.7354 123.7393 56.9239 30.2197 176.9226 125 C 4.7863 8.7383 122.7082 59.5790 29.8503 174.3803 126 S 4.3156 7.9748 113.5762 56.9744 63.4581 171.9387 127 P 4.1068 0.0000 0.0000 63.7679 31.7937 175.4680 128 Y 3.3591 7.6425 116.6503 59.2441 35.7467 171.2446 129 A 3.9620 7.3807 120.8882 50.5320 16.3512 177.3922 130 N 5.5869 7.4953 116.7527 50.8648 43.1956 175.4572 131 V 5.0672 9.6059 122.6473 60.2166 35.6269 174.3238 132 I 4.6053 8.8974 124.3124 60.0758 38.8605 174.4883 133 L 5.0221 8.9513 128.1365 53.4811 43.8472 175.2830 134 C 5.1420 8.9424 121.3984 57.8161 30.7019 173.0761 135 A 4.6654 9.0184 126.4681 51.9641 19.1103 176.6389 136 G 4.3687 8.1483 106.8872 46.6136 0.0000 173.0696 137 V 4.4049 8.1885 113.6188 60.0619 35.8764 175.8467 138 T 3.9513 7.7896 114.2869 62.0964 68.0196 172.2614 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 -1 N 8.42 4.70 0.00 2.70 2.91 0.00 0.00 6.99 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.13 4.07 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 2 K 9.08 4.05 0.00 1.80 2.10 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 K 8.32 4.07 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.79 3.86 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 0.00 0.00 0.00 5 T 8.20 4.42 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 1.20 0.00 0.00 6 V 7.57 3.97 2.23 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 0.82 0.00 0.00 0.99 0.00 0.00 7 L 8.05 4.30 0.00 1.66 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.96 4.46 0.00 2.74 2.68 0.00 0.00 6.99 7.63 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 9 S 8.62 4.14 0.00 4.08 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 10 E 8.20 3.97 0.00 2.16 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 0.00 2.39 2.34 0.00 11 I 8.11 3.68 1.86 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 1.51 0.93 0.90 0.00 0.00 12 S 8.09 4.11 0.00 4.06 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 13 S 7.94 4.06 0.00 3.93 4.03 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 14 V 7.99 3.76 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 0.84 0.00 0.00 0.92 0.00 0.00 15 I 7.90 3.73 1.86 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 1.57 1.24 0.90 0.00 0.00 16 S 7.93 4.37 0.00 4.05 4.06 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 17 R 7.53 4.39 0.00 1.93 2.00 0.00 3.16 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 18 L 7.27 4.25 0.00 1.76 1.60 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.07 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 20 H 8.61 4.46 0.00 3.09 3.25 0.00 5.81 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 21 T 8.80 3.47 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 0.91 0.00 0.00 22 D 7.90 4.66 0.00 2.78 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 23 T 8.42 5.13 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 1.21 0.00 0.00 24 L 8.74 4.98 0.00 1.72 1.47 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.71 4.85 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 1.02 0.00 0.00 0.85 0.00 0.00 26 V 8.72 4.94 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 0.85 0.00 0.00 0.85 0.00 0.00 27 C 9.13 5.68 0.00 3.27 3.14 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 28 D 9.64 5.19 0.00 3.01 2.99 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 29 A 8.99 4.09 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 30 G 8.03 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 31 L 7.59 4.15 0.00 1.68 1.67 1.12 1.09 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 32 P 0.00 4.42 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 33 I 8.01 4.44 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.92 0.00 0.00 34 P 0.00 4.45 0.00 2.29 2.18 0.00 3.44 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 35 N 8.58 4.58 0.00 2.83 2.98 0.00 0.00 6.12 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 36 S 7.91 4.45 0.00 3.99 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 37 T 7.43 4.60 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 38 A 8.09 4.20 1.32 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 39 R 8.55 4.64 0.00 1.82 1.84 0.00 3.21 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 40 I 8.71 4.34 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 1.11 0.58 0.91 0.00 0.00 41 D 8.51 4.94 0.00 2.67 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 *43 A 8.29 4.03 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 44 L 8.90 4.22 0.00 1.58 1.84 0.92 1.23 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 45 T 7.36 4.43 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 46 Q 8.62 4.00 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 47 G 9.21 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 48 V 7.94 4.44 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 1.08 0.00 0.00 0.94 0.00 0.00 49 P 0.00 5.05 0.00 2.15 2.15 0.00 3.76 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 2.07 1.96 0.00 50 S 9.27 4.72 0.00 4.07 4.07 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 0.00 0.00 0.00 51 F 9.01 4.08 0.00 3.15 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 *53 Q 8.16 4.19 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 54 V 7.63 3.48 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 1.01 0.00 0.00 0.90 0.00 0.00 55 V 7.51 3.37 1.80 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 0.91 0.00 0.00 -0.03 0.00 0.00 56 D 7.83 4.32 0.00 2.52 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 57 V 7.70 3.69 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 0.92 0.00 0.00 1.01 0.00 0.00 58 V 8.01 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 0.97 0.00 0.00 0.92 0.00 0.00 59 T 7.75 4.20 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 1.22 0.00 0.00 60 R 7.66 4.07 0.00 1.93 2.02 0.00 3.11 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 61 E 7.77 4.45 0.00 1.93 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 2.21 2.23 0.00 *63 Q 7.91 4.10 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 64 V 8.58 4.90 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 0.87 0.00 0.00 0.92 0.00 0.00 65 E 9.35 4.68 0.00 2.05 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 0.00 2.35 2.25 0.00 66 A 7.63 4.78 1.21 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 0.00 0.00 0.00 67 A 9.35 5.15 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 68 I 9.04 4.97 1.87 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 1.20 0.66 1.01 0.00 0.00 69 L 8.61 5.33 0.00 1.25 1.50 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.09 4.62 1.05 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 71 T 8.97 3.92 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 1.08 0.00 0.00 72 E 7.92 3.65 0.00 1.16 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 1.60 2.02 0.00 73 I 7.44 3.66 1.80 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 1.50 1.32 0.89 0.00 0.00 74 K 7.48 3.73 0.00 1.69 1.70 0.00 1.43 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.23 7.81 75 Q 7.82 4.13 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 76 Q 7.81 4.50 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.29 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 77 N 8.21 5.03 0.00 2.83 2.62 0.00 0.00 6.81 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 78 P 0.00 4.31 0.00 2.31 2.45 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 79 Q 8.02 4.08 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 80 L 7.83 3.96 0.00 1.80 1.64 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.44 4.17 0.00 3.30 3.53 0.00 5.68 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 82 E 8.60 3.88 0.00 2.19 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 2.50 0.00 83 T 8.05 3.91 4.31 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 1.25 0.00 0.00 84 L 8.25 4.10 0.00 2.04 1.95 1.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.05 4.01 0.00 1.91 1.71 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.05 3.86 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 1.24 0.00 0.00 87 H 8.31 4.25 0.00 3.34 3.53 0.00 5.78 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 88 L 8.26 3.93 0.00 1.87 1.70 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.34 3.97 0.00 2.25 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 2.56 0.00 90 Q 8.19 4.03 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 91 L 8.24 3.97 0.00 1.71 1.75 0.90 0.72 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 92 Q 8.01 4.31 0.00 2.47 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.35 0.00 93 Q 7.66 3.95 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 94 H 8.07 4.32 0.00 3.23 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.51 4.22 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.42 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 96 G 8.20 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 97 N 7.76 4.94 0.00 2.81 2.91 0.00 0.00 5.51 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 98 T 8.28 4.52 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 99 I 8.68 4.34 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.91 0.00 0.00 100 K 8.70 4.21 0.00 1.89 1.67 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 101 I 8.38 5.03 1.91 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 1.42 0.61 0.80 0.00 0.00 102 S 8.64 4.80 0.00 3.86 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 0.00 103 Y 8.60 5.30 0.00 2.86 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 0.00 104 T 8.92 4.98 4.31 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 1.27 0.00 0.00 105 T 8.42 4.28 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 1.22 0.00 0.00 106 H 8.56 4.22 0.00 3.26 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.24 3.95 0.00 2.05 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 2.44 2.35 0.00 108 Q 8.00 4.01 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 109 F 8.52 4.04 0.00 3.31 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 0.00 110 K 8.20 3.99 0.00 1.92 1.90 0.00 1.79 0.00 0.00 1.38 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.60 7.81 111 K 7.87 4.10 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.01 3.97 0.00 1.62 1.55 0.87 0.43 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 0.00 113 T 7.79 3.70 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 1.08 0.00 0.00 114 A 7.71 4.06 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.72 4.65 0.00 2.72 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 0.00 116 S 7.39 5.00 0.00 4.11 3.80 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 0.00 117 Q 8.94 4.07 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 118 A 7.41 4.89 1.25 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 0.00 119 V 8.77 4.64 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 1.09 0.00 0.00 0.94 0.00 0.00 120 I 9.19 4.68 1.87 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 1.11 0.57 0.90 0.00 0.00 121 R 8.93 4.68 0.00 1.81 1.85 0.00 3.27 0.00 0.00 3.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 122 S 8.93 4.65 0.00 4.09 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 0.00 123 G 8.94 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 0.00 124 E 8.74 4.47 0.00 2.31 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 2.30 2.40 0.00 125 C 8.74 4.79 0.00 2.86 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 0.00 126 S 7.97 4.32 0.00 4.00 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 0.00 127 P 0.00 4.11 0.00 2.23 1.88 0.00 3.76 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 2.16 2.05 0.00 128 Y 7.64 3.36 0.00 3.04 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 0.00 129 A 7.38 3.96 0.84 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 0.00 130 N 7.50 5.59 0.00 2.17 2.93 0.00 0.00 6.99 7.68 0.00 0.00 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 V 9.61 5.07 2.43 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 0.98 0.00 0.00 1.15 0.00 0.00 132 I 8.90 4.61 1.78 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.01 0.83 0.00 0.00 133 L 8.95 5.02 0.00 1.65 1.57 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 134 C 8.94 5.14 0.00 2.82 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 0.00 135 A 9.02 4.67 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 0.00 136 G 8.15 4.37 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 0.00 137 V 8.19 4.40 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 0.73 0.00 0.00 0.88 0.00 0.00 138 T 7.79 3.95 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.