NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4109 8.3193 115.2839 58.4227 63.4760 172.7958 4 S 3.5875 7.9072 112.6457 56.7235 64.7008 173.1099 5 D 4.3851 8.3056 123.3467 52.4476 40.2112 176.1669 6 Y 4.3824 6.7798 119.0087 58.0054 38.9879 176.1820 7 I 4.7497 8.1254 122.2208 58.8515 40.1291 174.2265 8 P 4.5328 0.0000 0.0000 61.9904 31.9721 175.7727 9 D 4.6791 8.4610 120.4564 54.7482 41.8092 175.4612 10 S 4.5471 8.1992 118.7651 56.9031 65.8945 174.1336 11 K 4.1088 8.5825 126.2664 58.4589 33.2571 176.3734 12 F 5.4720 7.7912 117.0186 55.8420 43.0735 174.0814 13 Y 5.1412 9.1352 117.6700 56.3348 42.7694 174.0880 14 K 4.6836 9.5586 125.1893 55.5203 33.9876 175.3699 15 V 4.6312 8.7366 128.2331 61.5217 33.1622 173.9065 16 E 4.9528 9.5856 130.3166 54.4404 31.9112 174.2021 17 A 4.9573 8.9301 129.2574 50.1292 22.0085 174.7762 18 I 4.7834 8.6583 124.3328 59.8794 39.0694 175.3188 19 V 4.9765 8.5527 119.8197 58.8651 36.8265 175.6939 20 R 4.2274 8.2765 120.3384 55.8385 30.5795 176.5036 21 P 4.2719 0.0000 0.0000 65.3245 31.4771 177.8183 22 W 4.7230 8.1578 112.0419 57.2180 28.7280 177.1072 23 R 4.1992 7.4038 118.1646 55.8725 29.6832 177.5827 24 I 3.6063 7.1691 114.1741 64.6044 37.3919 178.3081 25 Q 4.0015 7.9771 119.9728 58.1867 28.7387 178.3858 26 Q 3.9698 8.0028 118.6690 58.9675 28.7416 179.1195 27 V 3.5060 7.7030 119.0950 65.9308 31.6224 177.8226 28 S 4.0626 8.0248 112.8785 61.6653 62.1954 176.4004 29 S 4.0912 8.6473 117.6793 61.6111 62.2284 176.5866 30 A 4.0149 7.8468 122.9395 55.1863 18.1178 179.7267 31 L 3.8786 8.1610 117.6082 57.6819 41.5407 179.4783 32 L 4.0008 7.9372 120.5678 57.9626 41.8459 178.9729 33 K 4.0965 8.0928 117.3405 58.0102 31.9759 177.5404 34 I 4.2259 7.2141 110.9721 60.3050 37.8554 176.4759 35 G 3.8514 8.4445 109.3175 45.6341 0.0000 173.5136 36 I 4.1484 7.5515 120.9954 60.0905 37.3691 175.5697 37 R 4.5524 8.5187 124.0073 55.1713 32.8380 175.3539 38 G 3.7282 8.5758 104.1538 46.3475 0.0000 174.0505 39 V 4.1623 7.6611 118.4454 62.4428 32.9012 175.1310 40 T 4.7976 9.0849 118.2731 59.8359 71.1687 173.4946 41 V 5.0870 8.3756 124.1612 59.9500 34.0720 174.8771 42 S 4.7615 8.9122 117.5344 56.6257 66.9218 172.5559 43 D 5.0374 8.6408 121.4462 54.2824 41.7469 175.9533 44 V 4.6972 8.6655 116.0531 59.7460 36.4605 174.3600 45 R 4.9760 8.2890 116.4237 55.3882 32.1544 174.8636 46 G 4.1706 8.8354 109.8597 44.6923 0.0000 171.9447 47 F 5.0158 8.6300 117.4946 56.0237 41.4863 176.1049 *65 D 4.3088 8.1756 121.2789 54.1310 41.4853 175.6771 66 K 4.3122 7.3057 118.0136 55.2229 33.7832 176.8532 67 F 5.0093 8.3678 120.7256 55.6945 43.3402 173.7908 68 V 4.5051 8.7027 121.8482 60.8581 33.7103 174.5737 69 A 4.5370 8.7638 130.3599 52.1290 18.9412 176.3860 70 K 4.7481 8.9841 121.0321 54.6208 37.5942 175.3230 71 V 4.6851 8.7026 120.8648 61.0829 34.6155 174.0504 72 K 4.7845 9.1877 130.2376 55.8612 33.5957 174.9088 73 M 5.1284 9.2216 128.0141 53.6572 34.5586 174.7114 74 E 5.1623 9.4153 123.6089 54.5578 33.1410 175.1161 75 I 4.8105 8.2991 123.4501 59.6479 41.9264 173.3689 76 V 4.8421 8.4766 129.1306 61.6604 32.9760 174.9828 77 V 4.8243 8.9389 119.8137 59.3341 36.7949 175.2032 78 K 4.2603 8.9156 121.2991 56.0057 32.5955 178.3936 79 K 4.0814 8.5394 122.7907 59.9378 32.0853 178.1130 80 D 4.7217 8.0649 114.4473 54.2283 39.8317 176.8663 81 Q 4.4719 7.9783 119.1388 56.5428 29.6418 177.5508 82 V 3.5628 7.4904 120.1443 66.1172 31.4974 177.7738 83 E 3.9900 8.1745 117.6901 59.4957 29.3557 179.3383 84 S 4.1263 8.0033 114.7474 61.4263 62.8914 176.6721 85 V 3.5421 7.7318 120.8335 66.0736 31.3111 177.7515 86 I 3.6348 7.8145 119.5654 64.8621 37.0293 178.0783 87 N 4.3190 8.1847 116.7794 56.7239 38.3188 177.6719 88 T 3.9664 8.1447 117.1794 66.3129 68.5908 177.1510 89 I 3.6350 8.0781 122.2254 64.2960 37.1488 178.2912 90 I 3.5975 7.7498 120.6061 64.4469 36.7665 177.6675 91 E 3.9509 7.9812 118.6411 59.6140 29.4875 178.9613 92 G 3.6787 7.9523 102.7160 46.2220 0.0000 174.5828 93 A 4.3584 7.5395 121.4128 51.8404 20.4057 177.4094 94 R 4.0318 7.9609 118.9242 56.7244 30.4542 176.1188 95 T 4.3853 8.6748 115.0273 61.0747 70.5484 175.3458 96 G 4.0396 8.5574 109.6139 45.1640 0.0000 173.5329 97 E 4.5410 7.6900 118.7683 54.6095 31.0568 175.6926 98 I 3.8602 8.0287 122.1379 62.8409 36.5590 176.5503 99 G 4.1776 9.0647 111.7390 45.4730 0.0000 175.1347 100 D 4.2996 7.5044 119.7930 55.6539 41.0016 176.0594 101 G 4.2731 7.6555 100.3286 45.1080 0.0000 171.9891 102 K 4.6021 8.0506 115.7122 54.5445 36.9599 175.5663 103 I 4.6760 7.7261 121.0467 59.5197 40.2764 175.0474 104 F 5.0692 9.2469 125.9497 55.6369 42.0025 174.6322 105 V 4.7743 8.5482 122.7303 61.3287 32.9085 174.5331 106 L 5.0795 8.9664 128.7737 51.9464 44.8233 174.5147 107 P 4.2552 0.0000 0.0000 62.7525 32.0632 175.6706 108 V 4.2926 8.3256 122.6001 61.3404 33.5037 176.6450 109 S 3.9825 8.9281 124.4011 61.3342 63.2413 173.9320 110 D 4.4632 7.3788 115.7421 52.9551 43.8445 174.1178 111 V 4.2925 7.6753 124.0790 60.9956 34.5779 174.0775 112 I 4.9869 8.0735 127.1574 59.4762 40.6701 174.6139 113 R 4.1668 8.7648 127.9970 55.4870 30.6661 177.2595 114 V 3.5227 8.6165 126.7515 66.1240 32.0196 176.7269 115 R 4.0568 8.2260 118.4709 59.1542 29.7626 176.8865 116 T 4.2836 7.9320 104.4853 60.8506 70.3307 175.4023 117 G 3.8916 8.5110 109.7240 45.2561 0.0000 173.2241 118 E 4.0318 7.9145 120.3197 56.2719 29.8896 176.5972 119 R 5.4787 7.8414 121.9321 54.5972 33.5966 178.8004 120 G 4.0119 7.8280 107.1983 47.2124 0.0000 177.4844 121 E 4.2281 9.0947 122.4698 58.9817 29.4776 177.7931 122 K 4.1533 8.1793 115.3833 57.4322 32.3564 176.6852 123 A 4.3017 7.6167 127.7620 52.1651 18.9955 176.8329 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 S 8.32 4.41 0.00 3.80 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 4 S 7.91 3.59 0.00 3.73 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 5 D 8.31 4.39 0.00 2.52 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 6 Y 6.78 4.38 0.00 2.92 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 7 I 8.13 4.75 1.94 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 1.47 0.82 0.96 0.00 0.00 8 P 0.00 4.53 0.00 2.09 2.02 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 9 D 8.46 4.68 0.00 2.68 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 10 S 8.20 4.55 0.00 3.47 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 11 K 8.58 4.11 0.00 1.84 1.67 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.05 1.32 7.81 12 F 7.79 5.47 0.00 3.08 2.84 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 13 Y 9.14 5.14 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.56 4.68 0.00 1.87 1.84 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 15 V 8.74 4.63 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 0.83 0.00 0.00 0.91 0.00 0.00 16 E 9.59 4.95 0.00 2.14 2.01 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 2.29 2.29 0.00 17 A 8.93 4.96 1.15 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 0.00 0.00 18 I 8.66 4.78 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.21 0.93 0.00 0.00 19 V 8.55 4.98 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 0.67 0.00 0.00 0.84 0.00 0.00 20 R 8.28 4.23 0.00 1.41 1.69 0.00 2.88 0.00 0.00 3.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.57 0.00 21 P 0.00 4.27 0.00 2.29 2.16 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 22 W 8.16 4.72 0.00 3.54 3.16 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 23 R 7.40 4.20 0.00 1.53 1.79 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 24 I 7.17 3.61 1.86 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 1.83 0.79 0.93 0.00 0.00 25 Q 7.98 4.00 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 26 Q 8.00 3.97 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 27 V 7.70 3.51 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 0.94 0.00 0.00 0.89 0.00 0.00 28 S 8.02 4.06 0.00 4.00 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 29 S 8.65 4.09 0.00 3.93 3.89 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 30 A 7.85 4.01 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 3.88 0.00 1.87 1.87 0.90 0.33 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 32 L 7.94 4.00 0.00 1.86 1.88 0.92 0.84 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 33 K 8.09 4.10 0.00 1.97 1.86 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 34 I 7.21 4.23 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 1.40 0.76 0.91 0.00 0.00 35 G 8.44 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 36 I 7.55 4.15 1.88 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 1.32 0.63 0.93 0.00 0.00 37 R 8.52 4.55 0.00 1.77 1.84 0.00 3.23 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 38 G 8.58 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 4.16 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 0.86 0.00 0.00 0.92 0.00 0.00 40 T 9.08 4.80 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 41 V 8.38 5.09 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 0.78 0.00 0.00 0.92 0.00 0.00 42 S 8.91 4.76 0.00 3.84 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 43 D 8.64 5.04 0.00 2.55 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 44 V 8.67 4.70 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 0.75 0.00 0.00 0.95 0.00 0.00 45 R 8.29 4.98 0.00 1.60 1.67 0.00 2.21 0.00 0.00 2.77 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.03 0.00 46 G 8.84 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 47 F 8.63 5.02 0.00 3.02 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 *65 D 8.18 4.31 0.00 2.77 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 66 K 7.31 4.31 0.00 1.64 1.65 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 67 F 8.37 5.01 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 68 V 8.70 4.51 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 1.01 0.00 0.00 1.04 0.00 0.00 69 A 8.76 4.54 1.26 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 70 K 8.98 4.75 0.00 1.68 1.66 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.37 7.81 71 V 8.70 4.69 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 0.99 0.00 0.00 0.97 0.00 0.00 72 K 9.19 4.78 0.00 1.85 1.67 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.46 7.81 73 M 9.22 5.13 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 74 E 9.42 5.16 0.00 1.83 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 2.23 2.22 0.00 75 I 8.30 4.81 1.88 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 1.27 1.83 0.93 0.00 0.00 76 V 8.48 4.84 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 0.92 0.00 0.00 0.93 0.00 0.00 77 V 8.94 4.82 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 0.75 0.00 0.00 1.01 0.00 0.00 78 K 8.92 4.26 0.00 1.96 1.62 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.04 1.36 7.81 79 K 8.54 4.08 0.00 2.06 1.91 0.00 2.09 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.57 1.72 7.81 80 D 8.06 4.72 0.00 2.81 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 81 Q 7.98 4.47 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 82 V 7.49 3.56 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 0.68 0.00 0.00 0.89 0.00 0.00 83 E 8.17 3.99 0.00 2.04 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 2.50 2.37 0.00 84 S 8.00 4.13 0.00 4.00 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 85 V 7.73 3.54 2.20 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 1.10 0.00 0.00 0.98 0.00 0.00 86 I 7.81 3.63 1.99 0.00 0.00 0.79 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 0.55 0.87 0.00 0.00 87 N 8.18 4.32 0.00 2.95 2.86 0.00 0.00 7.15 6.39 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 88 T 8.14 3.97 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 1.24 0.00 0.00 89 I 8.08 3.63 1.93 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 1.48 0.93 0.83 0.00 0.00 90 I 7.75 3.60 1.98 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 1.35 0.59 0.87 0.00 0.00 91 E 7.98 3.95 0.00 2.04 2.18 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 2.31 2.34 0.00 92 G 7.95 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 0.00 0.00 0.00 93 A 7.54 4.36 1.26 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 94 R 7.96 4.03 0.00 1.73 1.88 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 95 T 8.67 4.39 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 1.18 0.00 0.00 96 G 8.56 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 0.00 0.00 0.00 97 E 7.69 4.54 0.00 2.08 1.91 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 2.32 2.48 0.00 98 I 8.03 3.86 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 1.36 0.48 0.93 0.00 0.00 99 G 9.06 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 0.00 0.00 0.00 0.00 100 D 7.50 4.30 0.00 2.65 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 0.00 101 G 7.66 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 0.00 0.00 0.00 0.00 102 K 8.05 4.60 0.00 1.15 1.13 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.39 7.81 103 I 7.73 4.68 1.71 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 1.21 0.43 0.81 0.00 0.00 104 F 9.25 5.07 0.00 2.94 2.84 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 0.00 105 V 8.55 4.77 1.90 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 0.32 0.00 0.00 0.74 0.00 0.00 106 L 8.97 5.08 0.00 1.67 1.54 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.26 0.00 1.96 1.97 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 108 V 8.33 4.29 2.01 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 0.92 0.00 0.00 0.92 0.00 0.00 109 S 8.93 3.98 0.00 3.88 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 0.00 110 D 7.38 4.46 0.00 2.55 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.68 4.29 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 0.76 0.00 0.00 0.07 0.00 0.00 112 I 8.07 4.99 1.82 0.00 0.00 0.79 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 0.60 0.88 0.00 0.00 113 R 8.76 4.17 0.00 1.86 1.78 0.00 3.09 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 114 V 8.62 3.52 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 0.80 0.00 0.00 0.91 0.00 0.00 115 R 8.23 4.06 0.00 1.80 1.95 0.00 3.25 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 116 T 7.93 4.28 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 0.00 117 G 8.51 3.89 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 0.00 0.00 0.00 118 E 7.91 4.03 0.00 2.04 1.90 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 2.40 2.33 0.00 119 R 7.84 5.48 0.00 1.78 1.83 0.00 3.36 0.00 0.00 3.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 120 G 7.83 4.01 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 0.00 0.00 0.00 121 E 9.09 4.23 0.00 2.04 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 2.36 2.38 0.00 122 K 8.18 4.15 0.00 1.77 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.46 7.81 123 A 7.62 4.30 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 * Residues marked with a * may have inaccurate shift predictions.