NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9027 8.3544 109.7381 44.8964 0.0000 172.8095 2 L 4.5398 7.7331 121.9640 52.9605 44.3030 172.3186 3 E 4.8893 9.2679 123.4576 54.7307 33.4535 175.6061 4 C 4.3136 8.1415 121.3171 56.0388 41.6961 174.6386 *6 G 3.4999 8.5355 110.3631 46.4347 0.0000 173.3306 *8 V 4.1147 7.8399 121.6943 60.7916 34.7269 175.5652 9 N 4.8476 7.7939 116.7402 53.6106 37.3328 175.0782 10 I 4.4351 7.5734 118.8645 60.2419 39.2306 177.4599 11 C 4.1035 8.2427 126.2521 55.9683 40.0899 170.6370 12 C 4.9476 9.3096 120.5145 54.0331 43.7952 172.9038 13 K 4.5489 8.4561 122.1232 56.1308 32.9635 175.5650 14 K 4.5814 8.6081 127.6828 54.4673 34.3376 176.0618 15 Q 4.7370 8.5821 123.7533 56.2354 29.6775 175.7793 16 F 5.0414 9.5447 126.0634 57.0155 43.1208 172.6032 17 F 4.4794 8.4391 129.1358 57.2324 40.1952 174.8172 18 V 3.7320 7.5599 119.8180 59.2495 34.1839 174.5171 19 S 4.4509 7.8338 119.2522 56.6414 63.6955 175.0449 20 F 4.5738 8.9413 126.5847 59.9809 38.2923 177.8520 21 K 4.2411 7.7280 121.0150 59.0778 31.8235 178.4306 22 D 4.3341 7.9073 117.0422 57.6256 40.9284 178.5164 23 I 3.6096 7.0606 118.7615 62.4834 36.9026 177.2740 24 G 4.0151 7.6069 106.5897 45.4623 0.0000 173.6969 25 W 4.6983 8.5234 117.5604 56.0324 29.1734 177.4261 26 N 4.7597 8.1384 117.3636 54.6444 37.2761 176.7909 27 D 4.5754 8.1141 118.6469 55.8462 40.2213 177.4709 28 W 4.7764 8.2768 119.1924 58.2685 29.7003 175.7112 29 I 4.6226 7.5457 119.2121 59.8866 36.8002 175.7592 30 I 3.9165 8.8390 127.8826 63.8387 37.3251 176.8165 31 A 4.6981 7.5040 121.1512 50.2199 21.8081 174.0063 32 P 5.0993 0.0000 0.0000 61.6008 32.9707 176.5186 33 S 4.4025 8.8309 112.1230 60.0762 63.2442 173.8314 34 G 3.1658 7.5690 108.1745 45.7871 0.0000 170.7123 35 Y 4.5941 6.3307 116.2436 56.3578 41.7643 174.0791 36 H 4.7541 8.9296 117.5116 55.0791 27.8251 175.0919 37 A 4.0470 7.7997 126.3575 52.4113 19.7474 177.6872 38 N 4.7825 8.3757 114.6641 53.3861 38.7533 172.1140 39 Y 4.9391 8.2366 115.3536 56.6700 41.9732 172.6873 40 C 5.2348 8.7824 117.2826 55.5388 40.1150 173.1457 41 E 4.7458 9.2164 123.5409 55.0642 33.3624 173.7122 42 G 4.4430 8.5937 109.4694 43.0017 0.0000 172.9257 43 E 4.2864 9.1573 120.3838 55.8093 30.2045 175.9602 44 C 5.2066 8.2675 119.2683 54.0593 43.3095 171.9769 45 P 4.5687 0.0000 0.0000 62.7705 32.0049 176.7877 46 S 4.9017 8.1756 118.0841 58.0264 64.1838 174.0939 47 H 4.4044 8.7489 112.6876 57.6610 29.0248 175.7106 48 I 3.7301 7.0421 122.0016 60.4502 36.9312 175.6917 49 A 3.9655 8.6377 129.3857 52.3753 18.7427 176.9579 50 G 4.0048 8.3991 112.2036 44.3915 0.0000 173.2411 51 T 4.0264 8.7509 118.1913 63.6263 69.1689 175.7787 52 S 4.6692 7.5467 117.3184 57.7034 63.5606 179.7250 53 G 3.9823 7.9089 110.3222 45.2910 0.0000 174.0922 54 S 4.0661 8.3735 115.1286 58.9324 63.1209 175.2388 55 S 4.4732 8.2897 118.0996 56.6059 61.2829 173.7257 56 L 4.1492 8.1476 127.8920 54.1275 42.2611 178.1891 57 S 4.4468 8.4521 117.5704 57.7601 65.0794 175.0876 58 F 3.9360 8.8624 123.0449 62.0814 38.9261 176.5261 59 H 4.2976 8.4922 117.0331 59.3883 29.6795 177.1102 60 S 4.2685 8.0429 116.6168 61.2537 62.6691 176.8360 61 T 3.8020 7.9738 118.9065 66.3908 68.3538 176.6371 62 V 3.4708 7.6964 120.1627 66.2812 31.4981 177.9951 63 I 3.5015 7.7132 119.2415 64.4831 36.9640 178.0225 64 N 4.3310 8.4164 117.8106 56.6698 38.3825 176.3432 65 H 3.9668 8.1319 119.9469 59.5203 29.8307 176.8943 66 Y 4.0606 7.5857 117.2691 60.6063 37.3308 177.9562 67 R 4.0657 8.2654 119.9518 59.8463 30.0446 178.1506 68 M 4.3284 7.9594 115.8506 56.5782 32.0680 177.0970 69 R 4.4798 7.0777 118.2802 55.5568 30.7110 176.1268 70 G 3.9960 8.2559 103.5240 46.6745 0.0000 173.4095 71 H 4.6164 8.0717 119.4816 55.0760 30.6392 174.7047 72 S 4.7950 8.3958 122.9185 57.0898 64.1546 172.4214 73 P 4.4184 0.0000 0.0000 63.0805 32.2728 177.7293 74 F 4.2072 7.0382 118.6707 60.8681 39.0671 176.9678 75 A 4.3704 8.2714 122.1862 54.0435 18.1154 177.8912 76 N 4.9199 8.3294 109.7904 52.8679 39.3484 174.7566 77 L 4.5101 7.4926 119.6795 52.3707 41.4074 176.1272 78 K 4.0441 8.3398 124.5449 55.9996 32.8462 176.5046 79 S 4.5133 8.5262 119.9681 58.3970 63.0941 172.8892 80 C 4.9515 8.7278 123.7212 57.9152 31.7221 172.5252 81 C 5.0130 8.7875 122.7878 56.3984 44.8195 172.7944 82 V 4.7509 8.6620 118.9617 58.6012 36.3594 173.3637 83 P 4.8721 0.0000 0.0000 63.5777 31.1215 176.6378 84 T 4.4993 8.9318 113.9678 61.9073 70.5615 174.7322 85 K 4.5727 7.8606 124.0282 55.1734 35.4731 174.8290 86 L 5.4667 8.6759 126.9026 53.2945 44.8477 175.5347 87 R 4.8662 8.6302 116.0323 54.1981 33.3306 172.8902 88 P 5.1544 0.0000 0.0000 62.6959 33.2517 174.5383 89 M 4.8711 8.5704 118.2462 53.6782 36.0339 173.8453 90 S 4.9064 8.6924 119.3788 58.6483 63.5381 173.1054 91 M 4.9542 9.3651 125.9992 53.4871 36.5903 173.8021 92 L 5.1629 8.9484 125.1314 53.5915 44.2774 174.8027 93 Y 5.1532 8.3222 123.6810 55.7510 42.1744 173.4048 94 Y 4.9095 8.6304 118.2630 57.4441 38.8571 176.6450 95 D 4.7749 8.2562 125.3754 53.1195 41.1584 175.8887 96 D 4.3361 8.6220 116.2165 55.4877 40.1124 176.9955 97 G 3.9317 8.1896 107.7347 44.9024 0.0000 173.1696 98 Q 3.4343 7.8545 115.7168 56.5625 26.6619 173.3123 99 N 4.9012 8.5089 113.9768 52.0181 40.8396 175.2370 100 I 3.9538 8.2944 123.7846 61.3508 37.9131 175.4352 101 I 4.2479 8.4121 128.7154 59.0815 40.2427 174.4126 102 K 4.8863 8.3681 128.5134 54.7702 33.5920 175.2917 103 K 4.6445 8.7880 127.0115 55.2169 36.2778 174.2298 104 D 4.9952 8.8078 126.9608 54.4146 41.7824 175.5215 105 I 4.4229 8.8182 124.9095 59.5489 39.5809 175.9712 106 Q 4.4155 8.7391 126.2629 54.7881 30.3120 174.9024 107 N 4.2423 8.4852 114.1307 55.0813 36.3060 175.6702 108 M 4.5444 8.1271 117.5647 56.7229 33.8166 177.6886 109 I 4.9362 7.5726 118.4186 59.0900 41.0593 175.2637 110 V 4.0866 8.4820 127.4523 63.4247 31.2441 175.0797 111 E 4.4352 9.6285 130.1246 57.9140 30.6697 176.0180 112 E 4.8840 8.0252 116.7549 54.6983 34.2161 175.2607 113 C 5.4754 8.7703 119.0908 55.5467 44.3345 173.2676 114 G 4.2208 8.8602 108.2925 45.5818 0.0000 170.9261 115 C 5.4041 8.6382 117.7897 55.9150 39.9664 174.4381 116 S 4.4681 8.7956 116.9418 58.6237 63.0746 173.9892 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 G 8.35 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 0.00 0.00 0.00 2 L 7.73 4.54 0.00 1.85 1.51 0.92 0.62 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 3 E 9.27 4.89 0.00 1.75 1.66 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 0.00 2.10 1.86 0.00 4 C 8.14 4.31 0.00 2.89 3.04 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 *6 G 8.54 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *8 V 7.84 4.11 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 0.79 0.00 0.00 0.93 0.00 0.00 9 N 7.79 4.85 0.00 2.64 2.82 0.00 0.00 7.13 7.32 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 10 I 7.57 4.44 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 1.22 0.77 0.90 0.00 0.00 11 C 8.24 4.10 0.00 3.13 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 12 C 9.31 4.95 0.00 2.98 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 13 K 8.46 4.55 0.00 1.80 1.69 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.39 7.81 14 K 8.61 4.58 0.00 0.79 1.37 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.09 7.81 15 Q 8.58 4.74 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 16 F 9.54 5.04 0.00 3.38 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 17 F 8.44 4.48 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 3.73 1.64 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 0.23 0.00 0.00 0.14 0.00 0.00 19 S 7.83 4.45 0.00 3.87 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 20 F 8.94 4.57 0.00 3.32 3.09 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 0.00 0.00 0.00 21 K 7.73 4.24 0.00 1.91 1.82 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 22 D 7.91 4.33 0.00 2.72 2.64 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 0.00 0.00 0.00 0.00 23 I 7.06 3.61 1.35 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.19 -0.61 0.00 0.00 24 G 7.61 4.02 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 0.00 0.00 0.00 25 W 8.52 4.70 0.00 3.25 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.14 4.76 0.00 3.00 3.23 0.00 0.00 5.95 8.07 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 27 D 8.11 4.58 0.00 2.96 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 28 W 8.28 4.78 0.00 3.32 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 29 I 7.55 4.62 1.83 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.40 0.90 0.00 0.00 30 I 8.84 3.92 1.80 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.12 0.85 0.00 0.00 31 A 7.50 4.70 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 32 P 0.00 5.10 0.00 2.50 2.21 0.00 4.01 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 2.24 2.09 0.00 33 S 8.83 4.40 0.00 4.14 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.57 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 0.00 0.00 0.00 35 Y 6.33 4.59 0.00 2.98 2.88 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 36 H 8.93 4.75 0.00 3.13 3.53 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.80 4.05 0.92 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 0.00 0.00 38 N 8.38 4.78 0.00 2.98 3.03 0.00 0.00 6.82 7.30 0.00 0.00 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 Y 8.24 4.94 0.00 3.06 2.97 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 40 C 8.78 5.23 0.00 2.91 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 41 E 9.22 4.75 0.00 2.07 1.62 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 2.22 2.32 0.00 42 G 8.59 4.44 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 0.00 43 E 9.16 4.29 0.00 1.96 1.86 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 2.48 2.41 0.00 44 C 8.27 5.21 0.00 2.94 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 45 P 0.00 4.57 0.00 2.04 1.98 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 46 S 8.18 4.90 0.00 3.92 3.72 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 47 H 8.75 4.40 0.00 3.29 3.48 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.04 3.73 1.79 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 1.14 0.20 0.88 0.00 0.00 49 A 8.64 3.97 1.24 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 0.00 0.00 0.00 50 G 8.40 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 0.00 0.00 0.00 51 T 8.75 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 1.20 0.00 0.00 52 S 7.55 4.67 0.00 3.74 3.70 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 53 G 7.91 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 0.00 0.00 0.00 54 S 8.37 4.07 0.00 3.87 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 55 S 8.29 4.47 0.00 3.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.15 0.00 1.67 1.60 0.91 0.97 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 57 S 8.45 4.45 0.00 4.13 4.08 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 0.00 0.00 0.00 0.00 58 F 8.86 3.94 0.00 3.23 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 59 H 8.49 4.30 0.00 3.35 3.37 0.00 5.72 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 60 S 8.04 4.27 0.00 3.95 3.93 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 61 T 7.97 3.80 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 1.06 0.00 0.00 62 V 7.70 3.47 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 1.05 0.00 0.00 0.91 0.00 0.00 63 I 7.71 3.50 1.97 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.97 0.00 0.00 64 N 8.42 4.33 0.00 3.01 2.89 0.00 0.00 6.88 7.89 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 65 H 8.13 3.97 0.00 3.08 3.29 0.00 5.64 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 66 Y 7.59 4.06 0.00 2.87 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 67 R 8.27 4.07 0.00 2.01 2.17 0.00 3.34 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 68 M 7.96 4.33 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 69 R 7.08 4.48 0.00 1.72 1.85 0.00 2.86 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 70 G 8.26 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 0.00 0.00 0.00 71 H 8.07 4.62 0.00 3.38 3.67 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.40 4.80 0.00 3.83 3.67 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 73 P 0.00 4.42 0.00 2.01 2.08 0.00 2.20 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 74 F 7.04 4.21 0.00 3.35 3.23 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 0.00 75 A 8.27 4.37 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 76 N 8.33 4.92 0.00 2.68 2.79 0.00 0.00 6.92 7.46 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 77 L 7.49 4.51 0.00 1.71 1.69 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.34 4.04 0.00 1.74 1.74 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.47 7.81 79 S 8.53 4.51 0.00 3.96 3.78 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 80 C 8.73 4.95 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.79 5.01 0.00 3.09 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 82 V 8.66 4.75 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 0.70 0.00 0.00 1.02 0.00 0.00 83 P 0.00 4.87 0.00 1.98 2.04 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 84 T 8.93 4.50 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 1.24 0.00 0.00 85 K 7.86 4.57 0.00 1.82 1.66 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.49 7.81 86 L 8.68 5.47 0.00 1.59 1.61 0.98 0.96 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 87 R 8.63 4.87 0.00 1.87 2.00 0.00 2.80 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 88 P 0.00 5.15 0.00 2.11 2.26 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 89 M 8.57 4.87 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 90 S 8.69 4.91 0.00 3.94 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 91 M 9.37 4.95 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 92 L 8.95 5.16 0.00 1.71 1.70 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.32 5.15 0.00 3.17 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 94 Y 8.63 4.91 0.00 2.86 2.83 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 0.00 0.00 0.00 0.00 95 D 8.26 4.77 0.00 2.77 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 96 D 8.62 4.34 0.00 2.71 2.69 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 97 G 8.19 3.93 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 0.00 0.00 0.00 98 Q 7.85 3.43 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 99 N 8.51 4.90 0.00 2.96 2.67 0.00 0.00 7.09 7.59 0.00 0.00 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 I 8.29 3.95 1.80 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 1.16 0.48 0.76 0.00 0.00 101 I 8.41 4.25 0.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.90 0.53 0.00 0.00 102 K 8.37 4.89 0.00 1.67 1.62 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.40 7.81 103 K 8.79 4.64 0.00 1.94 1.85 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.46 7.81 104 D 8.81 5.00 0.00 2.60 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 0.00 105 I 8.82 4.42 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.81 0.00 0.00 106 Q 8.74 4.42 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 107 N 8.49 4.24 0.00 2.87 2.92 0.00 0.00 6.82 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 0.00 108 M 8.13 4.54 0.00 1.79 2.20 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.50 0.00 109 I 7.57 4.94 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.04 1.06 0.00 0.00 110 V 8.48 4.09 2.14 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 0.77 0.00 0.00 1.05 0.00 0.00 111 E 9.63 4.44 0.00 1.99 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 2.29 2.35 0.00 112 E 8.03 4.88 0.00 1.92 1.77 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 2.30 2.33 0.00 113 C 8.77 5.48 0.00 2.80 2.95 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 0.00 114 G 8.86 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 0.00 0.00 0.00 115 C 8.64 5.40 0.00 2.89 3.04 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 0.00 116 S 8.80 4.47 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.