NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 N 4.8487 8.2827 119.2042 53.2934 39.7064 174.7363 -6 L 3.9077 10.8200 128.5229 57.4015 42.1733 176.6049 -5 Y 4.3075 8.1302 120.8026 59.8730 39.2954 176.9483 -4 F 3.9797 8.7219 121.7919 60.9392 39.3899 177.1286 -3 Q 4.2885 8.5623 118.4175 57.2533 28.9888 175.3492 -2 S 4.9378 6.9448 111.0378 55.4883 65.5770 173.0242 -1 N 4.5094 8.7041 118.1511 53.9325 38.9851 175.4686 0 A 4.9484 7.2852 118.7945 51.2653 19.3559 176.8026 -5 K 4.0775 8.3002 120.9026 58.1730 34.5954 177.6483 -4 T 3.7097 8.5719 115.0919 65.0392 69.5899 176.0286 -3 L 4.2885 8.4023 120.4175 56.6533 41.9888 176.9492 -2 K 4.7878 6.9248 115.7378 53.3883 34.8770 175.0242 -1 E 4.1194 8.7241 119.6511 57.4325 29.9851 176.8686 0 L 4.9684 7.2052 116.7945 53.8653 42.6559 176.6026 8 R 4.0616 7.8025 118.3256 59.3514 30.3524 178.0745 9 T 4.1795 7.7015 108.2239 63.6933 69.0279 176.0552 10 D 4.3810 8.1220 120.8392 56.4805 40.7153 176.2961 11 Y 4.6099 7.5054 115.0097 56.4743 39.4111 175.5283 12 G 4.0682 7.6919 106.8088 46.3869 0.0000 174.0761 13 L 4.5476 7.7792 117.2205 53.6037 43.2927 178.1405 14 T 4.2755 9.0079 114.3962 61.3537 71.1251 175.8483 15 Q 4.1005 8.4704 119.3276 58.3662 28.6556 178.7775 16 K 4.0644 7.8253 122.0897 58.8346 32.3528 178.5579 17 E 4.0035 8.1044 118.8518 59.2065 29.2491 179.0900 18 L 3.7405 7.8414 120.1641 57.5416 42.1380 179.0745 19 G 3.6526 8.0438 105.7975 47.9163 0.0000 175.2551 20 D 4.3638 8.4282 122.1206 57.0893 40.6674 178.7835 21 L 3.9865 7.7759 119.4051 57.4378 42.0419 178.0128 22 F 5.0071 8.0910 115.1305 55.9722 39.7183 175.6290 23 K 3.9475 8.0158 116.8107 56.8485 29.8608 175.6056 24 V 4.5817 8.2402 115.9426 59.8250 34.8003 174.9380 25 S 4.3809 8.4834 115.9536 58.1141 63.7240 175.1345 26 S 4.1580 8.9187 117.9380 62.2383 62.4507 176.9906 27 R 3.9291 8.1235 120.3705 59.9689 29.4421 178.4361 28 T 3.9220 7.5719 114.1005 66.6077 68.5258 176.3920 29 I 4.0015 7.3873 120.7576 64.4743 37.3696 177.9448 30 Q 4.2728 8.1698 118.8044 59.2389 28.5268 180.5452 31 N 4.5402 8.2924 115.2025 54.0021 38.5534 176.8221 *33 E 4.2956 8.1315 121.7696 56.5532 31.9526 177.7260 34 K 4.0594 8.4436 118.3329 58.8660 32.1872 176.7564 35 D 4.8004 8.3218 121.2500 53.5273 42.8905 174.5496 36 S 4.6617 9.0179 121.4710 58.0384 63.6553 175.9813 37 T 3.8555 7.9140 119.2055 66.7146 68.2545 174.4164 38 N 4.9610 7.8627 115.4061 52.5475 39.3972 174.1064 39 I 3.6917 7.7720 119.0749 61.6022 38.6106 176.2372 40 K 4.2853 8.4999 126.4929 55.8259 34.1089 177.6520 41 D 4.4147 8.8613 122.3962 57.7236 40.7784 179.0419 42 S 4.1611 7.9679 113.3862 60.8044 63.4936 175.7720 43 L 4.0352 7.7936 123.7343 57.7563 41.7634 178.0535 44 L 4.1130 8.0786 120.5872 58.3059 41.7549 178.8371 45 S 4.1113 7.9694 112.3212 60.2483 63.4522 176.3330 46 K 3.8598 7.5838 122.6528 59.2568 31.7378 179.6486 47 Y 4.6291 7.1187 115.5769 58.4121 38.0317 178.6000 *49 S 4.2707 8.0895 115.0861 58.3517 64.1156 175.6909 50 A 3.7198 8.0845 121.7008 54.3817 18.0453 178.1170 51 F 4.8110 7.7217 111.2177 56.4866 39.6519 175.4088 52 N 4.2491 7.6462 117.0888 54.8980 36.4668 174.4091 53 V 4.6075 7.5632 108.1981 59.3036 35.3438 176.5018 54 K 4.3449 8.7001 121.9789 55.9224 33.1706 177.5867 55 Y 4.1177 8.9583 122.6771 61.2063 38.5133 178.7962 56 D 4.3673 8.1270 116.6803 56.8584 41.0678 177.3267 57 D 4.4765 8.0544 118.3208 56.0194 41.1180 176.1542 58 I 4.7932 7.1000 120.2571 59.6815 38.5885 175.1665 59 F 4.0166 8.4123 129.2125 57.2064 39.9660 174.5213 60 L 4.4828 8.0105 125.4464 52.0043 44.6063 176.9339 61 G 3.7422 7.2605 108.4978 45.2079 0.0000 171.0724 62 N 5.2211 8.9603 119.3298 51.8643 40.4218 175.1640 63 E 4.4187 8.6463 120.7011 58.9700 29.4776 177.9924 64 Y 4.3237 8.2097 119.2071 60.5600 39.2566 176.6710 65 E 3.9931 8.7003 119.5899 59.9221 29.5554 179.3796 66 N 4.3096 8.6046 116.1925 56.2905 38.5708 177.2608 67 F 4.2212 8.0254 121.5395 61.4001 39.4417 177.3929 68 V 3.0983 7.7450 118.1243 65.4643 31.1983 177.9179 69 F 3.8361 7.7872 120.2736 61.3617 39.1523 177.0869 70 T 3.5476 7.9316 115.6256 66.8781 68.3219 176.2209 71 N 4.0675 7.8288 118.1804 56.4198 38.4085 177.3063 72 D 4.2421 8.0117 120.3411 56.7689 40.7718 178.5725 73 K 2.7202 7.3907 120.3440 59.1043 31.9527 178.6823 74 K 3.6875 7.3953 119.2524 59.4389 31.9896 178.9201 75 K 3.9578 7.7622 118.7387 59.1091 31.9010 179.2968 76 S 4.1402 8.1014 115.7314 61.8091 62.8521 176.5342 77 I 3.6683 7.6358 122.0826 64.8566 37.0596 178.6240 78 I 3.8109 7.4961 120.1713 64.1395 36.9768 178.5020 79 L 3.9517 8.3881 120.0765 57.7641 41.3192 179.0994 80 A 4.3022 8.1285 121.0438 54.5333 18.4812 178.9461 81 F 4.1994 8.2734 118.8069 61.7264 39.2687 177.6355 82 K 3.9422 7.7711 115.6664 59.1100 31.7085 178.9351 83 E 4.0632 7.9532 118.8091 59.2230 29.2056 177.2273 84 K 4.0555 7.4610 121.2407 56.5705 32.1405 176.7535 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 N 8.28 4.85 0.00 2.71 2.81 0.00 0.00 6.72 5.78 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 -6 L 10.82 3.91 0.00 1.74 1.80 1.10 0.79 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 -5 Y 8.13 4.31 0.00 2.73 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 -4 F 8.72 3.98 0.00 3.31 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 -3 Q 8.56 4.29 0.00 2.48 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.46 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 -2 S 6.94 4.94 0.00 4.08 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 0.00 -1 N 8.70 4.51 0.00 2.83 2.95 0.00 0.00 7.49 7.57 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 A 7.29 4.95 1.20 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 0.00 0.00 -5 K 8.30 4.08 0.00 1.54 1.70 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.41 7.81 -4 T 8.57 3.71 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 -3 L 8.40 4.29 0.00 1.98 1.86 0.92 1.18 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 -2 K 6.92 4.79 0.00 2.03 2.10 0.00 0.61 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.32 7.81 -1 E 8.72 4.12 0.00 2.06 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 2.35 2.31 0.00 0 L 7.21 4.97 0.00 1.17 1.47 0.92 0.61 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 8 R 7.80 4.06 0.00 1.97 2.12 0.00 3.22 0.00 0.00 3.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 9 T 7.70 4.18 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 10 D 8.12 4.38 0.00 2.70 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 0.00 0.00 0.00 0.00 11 Y 7.51 4.61 0.00 3.08 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 12 G 7.69 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 0.00 0.00 0.00 13 L 7.78 4.55 0.00 1.71 1.61 1.01 0.92 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 14 T 9.01 4.28 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 1.25 0.00 0.00 15 Q 8.47 4.10 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 16 K 7.83 4.06 0.00 1.82 1.79 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.26 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.37 7.81 17 E 8.10 4.00 0.00 2.05 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 2.31 2.30 0.00 18 L 7.84 3.74 0.00 1.72 1.53 0.21 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.04 3.65 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 0.00 0.00 0.00 20 D 8.43 4.36 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 21 L 7.78 3.99 0.00 1.51 1.40 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.09 5.01 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 23 K 8.02 3.95 0.00 1.95 1.90 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.34 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 24 V 8.24 4.58 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 0.80 0.00 0.00 0.99 0.00 0.00 25 S 8.48 4.38 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 26 S 8.92 4.16 0.00 3.90 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 27 R 8.12 3.93 0.00 1.94 1.97 0.00 3.37 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 28 T 7.57 3.92 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 29 I 7.39 4.00 2.08 0.00 0.00 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 1.76 0.94 1.03 0.00 0.00 30 Q 8.17 4.27 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.06 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 31 N 8.29 4.54 0.00 2.89 2.87 0.00 0.00 7.10 7.93 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 *33 E 8.13 4.30 0.00 2.29 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 2.35 2.43 0.00 34 K 8.44 4.06 0.00 1.99 1.89 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.80 1.41 7.81 35 D 8.32 4.80 0.00 2.59 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 36 S 9.02 4.66 0.00 3.93 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 7.91 3.86 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 1.21 0.00 0.00 38 N 7.86 4.96 0.00 2.66 2.78 0.00 0.00 6.81 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 39 I 7.77 3.69 1.87 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 1.34 0.79 0.95 0.00 0.00 40 K 8.50 4.29 0.00 1.86 1.71 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.50 7.81 41 D 8.86 4.41 0.00 2.77 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 42 S 7.97 4.16 0.00 4.03 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 43 L 7.79 4.04 0.00 1.82 1.88 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.08 4.11 0.00 1.96 1.74 1.15 0.78 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 45 S 7.97 4.11 0.00 4.08 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 K 7.58 3.86 0.00 1.05 0.74 0.00 1.24 0.00 0.00 1.17 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.11 1.35 7.81 47 Y 7.12 4.63 0.00 3.41 3.25 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 *49 S 8.09 4.27 0.00 3.93 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 50 A 8.08 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.72 4.81 0.00 3.37 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 52 N 7.65 4.25 0.00 2.86 2.90 0.00 0.00 6.69 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 53 V 7.56 4.61 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 0.93 0.00 0.00 1.10 0.00 0.00 54 K 8.70 4.34 0.00 1.89 1.78 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.67 7.81 55 Y 8.96 4.12 0.00 3.04 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 56 D 8.13 4.37 0.00 2.73 2.71 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 0.00 0.00 0.00 0.00 57 D 8.05 4.48 0.00 2.86 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 58 I 7.10 4.79 1.59 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 1.10 0.66 0.73 0.00 0.00 59 F 8.41 4.02 0.00 2.10 2.53 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 60 L 8.01 4.48 0.00 1.09 1.23 0.72 0.58 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 61 G 7.26 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 0.00 0.00 0.00 62 N 8.96 5.22 0.00 3.04 3.05 0.00 0.00 7.06 6.23 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 63 E 8.65 4.42 0.00 2.16 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 2.44 2.29 0.00 64 Y 8.21 4.32 0.00 3.14 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 65 E 8.70 3.99 0.00 2.60 2.42 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 2.54 2.57 0.00 66 N 8.60 4.31 0.00 3.01 2.96 0.00 0.00 6.68 8.12 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 67 F 8.03 4.22 0.00 3.17 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 68 V 7.74 3.10 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 0.88 0.00 0.00 0.30 0.00 0.00 69 F 7.79 3.84 0.00 2.41 2.54 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 70 T 7.93 3.55 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 1.11 0.00 0.00 71 N 7.83 4.07 0.00 2.25 2.52 0.00 0.00 7.14 8.92 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 72 D 8.01 4.24 0.00 2.71 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 73 K 7.39 2.72 0.00 1.34 1.29 0.00 1.27 0.00 0.00 1.20 0.00 0.00 2.62 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.21 7.81 74 K 7.40 3.69 0.00 1.66 1.71 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.36 7.81 75 K 7.76 3.96 0.00 1.77 1.77 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.59 7.81 76 S 8.10 4.14 0.00 3.95 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 0.00 77 I 7.64 3.67 1.88 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 1.32 1.01 0.84 0.00 0.00 78 I 7.50 3.81 1.98 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 1.47 1.08 0.92 0.00 0.00 79 L 8.39 3.95 0.00 2.04 1.73 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.13 4.30 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 81 F 8.27 4.20 0.00 3.24 3.25 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 82 K 7.77 3.94 0.00 1.89 1.86 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.77 1.67 7.81 83 E 7.95 4.06 0.00 2.20 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 2.31 2.33 0.00 84 K 7.46 4.06 0.00 1.41 1.58 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.