NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2151 8.1685 121.7887 55.9912 33.7963 176.2304 2 A 3.8052 8.6731 128.3042 54.6397 18.3223 178.3692 3 I 3.7119 8.5063 118.0291 64.2195 38.5725 175.9570 4 N 4.3366 8.1667 116.9849 56.4603 38.3009 176.9572 5 N 4.3851 8.1108 117.4250 56.0588 38.5091 177.5725 6 I 3.5890 7.8813 121.3195 64.3448 37.2324 178.3846 7 V 3.7176 8.0744 118.9604 66.2800 31.2870 177.9381 8 A 4.0266 8.1835 120.2695 55.0870 18.0929 179.8027 9 S 3.9640 8.2808 113.8497 61.9185 62.8880 176.7523 10 F 4.2515 8.1313 120.5087 60.9752 38.6176 178.0583 11 S 4.1954 8.4555 114.7442 61.5664 62.7105 176.6900 12 S 4.0980 8.3423 116.0762 61.2364 62.0933 176.3635 13 V 3.5842 8.0475 121.1838 66.0811 31.3255 177.4865 14 N 4.3256 8.6148 117.1257 56.7659 38.6217 176.4910 15 D 4.3756 8.2006 120.1817 57.3438 40.9471 178.6340 16 A 3.9828 7.8586 120.9614 55.1684 18.3161 179.8122 17 I 3.6459 7.9107 118.4503 64.7105 37.1767 178.7047 18 T 3.7542 8.1004 116.7443 66.9041 68.2614 176.7309 19 Q 4.0643 8.3858 120.0328 59.0525 28.5701 179.0283 20 T 3.7959 7.9058 116.7781 66.3833 68.4942 176.5651 21 A 3.6883 7.7924 122.7290 55.1380 18.2325 179.5354 22 E 4.0387 8.0074 116.7706 59.4867 29.4916 179.5154 23 A 4.0072 8.1196 120.9170 55.2802 18.3920 179.7478 24 I 3.6309 8.0738 118.7585 64.6377 37.1352 178.0315 25 H 4.1774 8.3935 119.1120 59.6966 29.6779 177.4445 26 T 3.7542 8.0108 117.3582 66.5772 68.2038 176.6813 27 V 3.5920 7.9556 120.4900 66.2539 31.4934 178.0813 28 T 3.8467 8.1615 109.6087 64.9426 68.5177 176.4028 29 I 3.6524 7.6859 122.4523 63.8994 37.1063 178.3153 30 A 3.9751 8.1048 121.4972 55.2441 18.1917 179.6198 31 L 3.9316 8.1556 117.8200 58.0437 41.6547 179.3987 32 N 4.3222 8.3570 116.9861 56.4177 38.9307 177.1810 33 K 3.9744 8.1686 120.0394 59.4401 32.0647 179.3903 34 I 3.6781 7.9025 120.0654 64.3023 36.9926 177.9665 35 Q 3.9753 8.2529 120.6327 59.4862 28.8344 178.3438 36 D 4.3634 7.9953 119.4740 57.6028 40.8528 179.2026 37 V 3.6171 7.7171 118.4217 65.9351 31.5152 178.2233 38 V 3.5882 8.1528 118.4258 66.1123 31.3908 177.7539 39 N 4.4849 8.5226 116.2315 55.7881 38.4333 177.2791 40 Q 3.9681 8.0860 121.4039 59.3613 29.0757 178.4088 41 Q 4.1299 8.4922 119.4655 58.7964 28.7339 178.8450 42 G 3.6109 8.3175 106.9476 47.6600 0.0000 175.6621 43 S 4.0792 8.1796 115.2882 61.1058 62.4134 176.0557 44 A 3.9775 7.8762 123.2657 55.1721 18.0823 179.1991 45 L 3.9111 8.1517 118.9816 58.3777 42.0399 178.8681 46 N 4.2979 8.2878 116.2367 56.7058 38.5894 176.7038 47 H 4.0782 8.4869 119.7354 59.3200 29.7030 176.9997 48 L 3.9609 8.1419 121.2386 58.4392 42.1038 178.7034 49 T 4.0145 8.1661 115.9231 66.8464 68.1596 176.8908 50 S 4.1311 8.0854 116.1792 61.4383 62.9421 176.1586 51 Q 4.0210 7.9775 121.4168 58.2404 28.6789 177.4554 52 L 4.3465 7.2324 118.5062 55.7337 43.1827 176.4758 *70 T 4.2087 7.3856 105.4127 61.6026 69.7523 171.3110 71 Y 4.8445 7.8703 118.1933 55.1514 41.1799 173.8914 72 L 4.1199 9.1500 122.7192 53.5273 42.6214 175.2701 73 N 4.9423 8.2648 124.5595 52.0298 39.7841 173.4254 74 L 4.9419 10.1498 127.1456 54.0551 42.0692 178.5247 75 S 4.1594 8.5139 119.0923 61.8528 62.6434 176.9247 76 S 4.1339 7.9572 117.2415 61.6948 62.5941 176.4220 77 E 3.9685 8.1043 120.7762 59.3186 29.1803 179.1666 78 L 4.0151 8.2920 119.4343 57.8657 41.7060 179.8285 79 K 4.0107 8.1830 118.3601 59.4396 31.9890 179.5129 80 Q 4.0211 8.3148 118.5157 58.9917 28.5642 178.8476 81 L 4.0416 8.2514 120.2764 57.7811 41.6197 179.3679 82 E 4.0027 8.5567 118.6254 59.3183 29.2998 179.2814 83 A 4.0214 8.1070 120.8250 55.1472 18.3800 179.8912 84 K 4.0370 8.0938 118.3442 59.1814 32.1064 179.5994 85 T 3.7762 8.3094 116.2549 66.6909 68.3824 176.4333 86 A 4.1916 8.0730 122.6990 55.2824 18.2877 179.8884 87 S 4.1377 8.3805 113.0560 61.4301 63.1184 176.6451 88 L 3.9533 8.1565 122.7960 57.6425 41.2737 179.4404 89 F 4.3702 8.1472 117.6276 60.6290 38.8423 177.3429 90 Q 4.0219 8.6275 119.5623 59.7466 28.8384 178.7169 91 T 3.9143 8.1930 116.9147 66.7658 68.3645 176.6015 92 T 4.7549 8.0207 113.1317 64.3994 68.6188 176.7121 93 V 3.5593 7.7247 120.7723 65.5403 31.5725 177.5548 94 E 3.8575 8.2662 119.0669 59.3027 29.4485 178.5468 95 L 3.8542 8.4369 120.5982 58.0786 42.1009 178.4268 96 Q 4.0538 8.3876 119.8747 59.3779 28.9533 178.8145 97 G 3.6464 8.0407 106.4649 47.8534 0.0000 175.6767 98 L 3.9775 7.9073 121.3539 57.4462 41.5592 179.5569 99 I 3.6303 7.9906 120.1449 64.4730 37.1061 177.9539 100 D 4.3815 8.4441 120.0519 57.7471 40.4549 179.1087 101 Q 4.0184 7.8847 117.0542 58.9933 28.5637 178.6696 102 I 3.8634 7.9297 120.8815 64.5102 36.9473 178.2774 103 N 4.4004 8.1784 116.1677 56.3108 38.3458 177.3540 104 S 4.2953 7.6631 115.9112 61.3327 62.9506 174.3237 105 T 4.0668 7.4407 115.2355 61.8408 68.5622 174.0131 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 K 8.17 4.22 0.00 1.81 1.75 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 2 A 8.67 3.81 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.71 1.89 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 1.68 1.59 0.93 0.00 0.00 4 N 8.17 4.34 0.00 2.78 2.86 0.00 0.00 7.16 6.92 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 5 N 8.11 4.39 0.00 2.92 2.84 0.00 0.00 7.00 7.31 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 6 I 7.88 3.59 2.09 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 1.37 0.84 1.07 0.00 0.00 7 V 8.07 3.72 2.25 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 1.09 0.00 0.00 1.03 0.00 0.00 8 A 8.18 4.03 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 9 S 8.28 3.96 0.00 3.83 3.68 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 0.00 0.00 0.00 0.00 10 F 8.13 4.25 0.00 3.21 3.05 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 11 S 8.46 4.20 0.00 4.07 3.95 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 12 S 8.34 4.10 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 13 V 8.05 3.58 2.33 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 1.00 0.00 0.00 0.96 0.00 0.00 14 N 8.61 4.33 0.00 3.07 2.85 0.00 0.00 7.27 8.37 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 15 D 8.20 4.38 0.00 2.98 2.72 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 16 A 7.86 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.65 1.99 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 1.51 0.75 0.86 0.00 0.00 18 T 8.10 3.75 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 1.40 0.00 0.00 19 Q 8.39 4.06 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 20 T 7.91 3.80 4.32 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 1.15 0.00 0.00 21 A 7.79 3.69 0.16 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 0.00 0.00 0.00 22 E 8.01 4.04 0.00 2.24 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 2.61 2.68 0.00 23 A 8.12 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 3.63 1.96 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 1.58 0.86 0.91 0.00 0.00 25 H 8.39 4.18 0.00 3.30 3.60 0.00 5.59 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 26 T 8.01 3.75 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 1.20 0.00 0.00 27 V 7.96 3.59 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 1.13 0.00 0.00 0.99 0.00 0.00 28 T 8.16 3.85 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 1.27 0.00 0.00 29 I 7.69 3.65 1.96 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.89 0.00 0.00 30 A 8.10 3.98 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 31 L 8.16 3.93 0.00 1.82 1.74 0.92 0.85 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 32 N 8.36 4.32 0.00 2.85 2.94 0.00 0.00 7.21 5.61 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 33 K 8.17 3.97 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.64 7.81 34 I 7.90 3.68 2.00 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 1.41 0.83 0.91 0.00 0.00 35 Q 8.25 3.98 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 36 D 8.00 4.36 0.00 2.93 2.72 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 37 V 7.72 3.62 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 38 V 8.15 3.59 2.17 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 0.99 0.00 0.00 0.99 0.00 0.00 39 N 8.52 4.48 0.00 2.91 2.90 0.00 0.00 6.65 7.24 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 40 Q 8.09 3.97 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 41 Q 8.49 4.13 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 42 G 8.32 3.61 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 0.00 0.00 0.00 43 S 8.18 4.08 0.00 4.01 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 44 A 7.88 3.98 1.42 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 0.00 0.00 0.00 45 L 8.15 3.91 0.00 1.87 1.91 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.29 4.30 0.00 3.02 2.87 0.00 0.00 6.67 7.78 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 47 H 8.49 4.08 0.00 3.23 3.46 0.00 5.59 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 48 L 8.14 3.96 0.00 1.75 1.93 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.17 4.01 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 1.21 0.00 0.00 50 S 8.09 4.13 0.00 3.79 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 51 Q 7.98 4.02 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 52 L 7.23 4.35 0.00 1.72 1.67 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *70 T 7.39 4.21 4.18 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 1.17 0.00 0.00 71 Y 7.87 4.84 0.00 3.25 2.91 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 72 L 9.15 4.12 0.00 1.55 1.76 0.86 0.78 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 73 N 8.26 4.94 0.00 2.53 2.43 0.00 0.00 7.16 7.78 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 74 L 10.15 4.94 0.00 1.80 1.64 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.51 4.16 0.00 3.99 3.94 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 76 S 7.96 4.13 0.00 3.86 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 77 E 8.10 3.97 0.00 2.17 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 2.39 2.45 0.00 78 L 8.29 4.02 0.00 1.82 1.73 0.94 1.00 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 79 K 8.18 4.01 0.00 2.05 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 80 Q 8.31 4.02 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 81 L 8.25 4.04 0.00 1.68 1.72 0.92 1.22 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 82 E 8.56 4.00 0.00 2.23 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 2.38 2.44 0.00 83 A 8.11 4.02 1.42 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 0.00 0.00 0.00 84 K 8.09 4.04 0.00 1.94 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.48 7.81 85 T 8.31 3.78 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 86 A 8.07 4.19 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 87 S 8.38 4.14 0.00 4.06 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 88 L 8.16 3.95 0.00 1.73 1.53 0.86 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.15 4.37 0.00 3.35 2.96 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 90 Q 8.63 4.02 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 91 T 8.19 3.91 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 1.21 0.00 0.00 92 T 8.02 4.75 4.36 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 1.33 0.00 0.00 93 V 7.72 3.56 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 0.99 0.00 0.00 0.96 0.00 0.00 94 E 8.27 3.86 0.00 2.08 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 2.28 2.30 0.00 95 L 8.44 3.85 0.00 1.80 1.65 0.74 0.78 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 96 Q 8.39 4.05 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 97 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 98 L 7.91 3.98 0.00 1.71 1.55 0.82 0.82 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 99 I 7.99 3.63 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 0.95 0.00 0.00 100 D 8.44 4.38 0.00 2.86 2.72 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 0.00 101 Q 7.88 4.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 102 I 7.93 3.86 2.02 0.00 0.00 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 1.50 1.02 0.96 0.00 0.00 103 N 8.18 4.40 0.00 2.86 2.89 0.00 0.00 7.11 7.09 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 0.00 104 S 7.66 4.30 0.00 4.10 3.92 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 0.00 105 T 7.44 4.07 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.