NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5132 8.1927 115.3188 57.6396 63.6159 172.7354 3 Q 3.6440 8.9361 129.5262 57.0734 29.1424 175.8165 4 F 4.2856 9.9223 124.2940 57.9437 38.7561 174.3974 5 T 4.3406 8.1366 119.0970 63.4782 69.5688 172.9937 6 L 4.9160 8.5773 127.9160 53.7168 44.1623 174.6428 7 Y 4.8815 8.5702 123.4794 55.6181 41.3217 174.8750 8 K 4.4714 8.9035 125.7362 56.1715 33.0714 175.9113 9 N 4.8041 8.7139 127.6170 53.8445 38.6979 174.8897 10 K 4.1698 8.9267 125.6951 57.3432 33.3357 176.3243 11 D 4.3692 8.3445 121.4549 54.4753 40.8171 177.2105 *12 K 3.9273 8.7784 129.5085 57.7620 31.7495 174.7105 13 S 4.2257 7.9382 113.4647 61.3801 62.3907 175.7672 14 S 4.6234 8.0947 112.6376 58.8690 63.5986 175.5104 15 A 4.1996 8.0922 127.7214 55.5582 17.7901 180.5714 16 K 3.9081 7.8887 121.7130 60.3057 32.1418 183.0986 17 T 4.1741 7.6922 110.7388 62.6978 69.4030 173.6004 18 Y 5.6757 8.0417 118.5055 54.5674 38.0611 174.1847 19 P 4.6984 0.0000 0.0000 64.7916 33.1082 177.0864 20 Y 5.3401 7.6017 117.3346 56.3481 42.9718 174.1074 21 F 5.6084 8.7725 115.8283 55.3099 42.0710 173.5428 22 V 4.9444 8.8960 120.8335 59.9457 33.9661 174.3144 23 D 4.8840 9.1458 125.3306 54.2458 42.0269 176.4807 24 V 4.2603 8.5834 118.3406 61.0585 32.7976 175.4420 25 Q 4.2414 8.5514 122.8002 54.6122 29.9818 175.6068 26 S 4.1671 8.3448 119.0668 58.3554 63.2573 174.8423 27 D 4.4031 8.6084 126.2761 56.7250 40.9129 178.4420 28 L 4.0722 7.6363 118.2972 56.9986 41.8480 177.8016 29 L 4.6955 7.9484 118.6678 54.4782 41.8415 177.4264 30 D 4.6362 7.8259 117.4047 54.1977 39.6400 177.0249 31 N 4.4462 8.0088 117.5777 55.5167 37.6482 175.7036 32 L 4.1158 7.5801 118.9438 54.9607 42.2607 176.1904 33 N 4.9502 8.6610 118.7469 53.1823 38.4840 174.0446 34 T 5.1605 7.6955 108.2228 60.3542 72.5047 173.1684 35 R 4.8091 8.7188 120.4264 54.2403 34.5508 174.4000 36 L 4.5722 8.8775 125.9343 55.0421 43.2788 176.0766 37 V 5.1090 9.0438 118.8080 59.7503 36.7381 174.2724 38 I 4.9249 8.7318 123.1328 58.8467 40.2028 173.7014 39 P 5.0806 0.0000 0.0000 62.8215 33.1587 174.9942 40 L 5.2976 9.0653 121.7815 53.5482 44.5623 175.4074 41 T 5.3518 8.8036 115.9960 58.3219 71.1176 171.3351 42 P 4.8072 0.0000 0.0000 62.7160 31.4374 177.0023 43 I 3.7690 8.3873 124.8206 63.3492 37.4373 175.8880 44 E 4.8521 8.3421 124.7851 55.8975 26.6657 175.5099 *51 P 4.2135 0.0000 0.0000 62.1274 32.6532 177.0991 52 S 4.0842 9.0573 119.8297 62.0146 62.9989 174.0042 53 H 4.3283 7.9527 122.0800 56.4294 30.6721 175.4135 *54 L 4.3588 7.9887 120.2116 54.2938 42.5531 176.9483 55 C 5.3574 7.9058 117.3648 55.5832 29.0709 171.0041 56 P 4.3714 0.0000 0.0000 62.8485 32.4749 174.8949 57 T 4.5585 8.4646 118.6975 61.5781 68.5213 173.5972 58 I 4.0712 9.0263 129.6849 59.7662 40.0832 174.2384 59 H 5.2888 9.0459 125.1582 54.1563 30.4263 173.3078 60 I 4.7797 8.5092 116.9434 58.7071 40.7485 175.7663 61 D 4.3991 8.6657 118.6028 57.2455 41.0295 176.9607 62 E 4.2149 8.1769 116.9179 57.3273 30.3828 177.1207 63 G 3.5465 6.4384 105.6769 44.4428 0.0000 170.5424 64 D 5.1589 7.4083 119.9464 52.4725 44.0112 175.3766 65 F 5.4211 9.2242 121.5626 55.7823 44.0490 173.6284 66 I 4.7890 8.8553 121.5205 59.8777 39.6466 174.7896 67 M 4.5328 9.0012 127.7767 54.8620 33.0703 175.9978 68 L 4.6918 8.6788 129.7488 53.4898 40.6722 177.4794 69 T 3.8653 7.9196 117.1534 64.6780 67.9529 175.6511 70 Q 4.2197 8.1078 117.4123 57.8182 28.9421 176.3288 71 Q 4.4926 7.9356 117.6717 55.7180 28.9873 175.3586 72 M 4.2403 7.5160 117.9276 56.5487 32.8412 175.0819 73 T 4.6495 8.5220 118.1554 61.2096 71.7237 171.8459 74 S 5.1681 8.4192 119.5424 57.0768 64.6887 173.7762 75 V 4.5079 8.4431 115.6045 58.5577 36.1230 173.5302 76 P 4.6660 0.0000 0.0000 62.2663 32.0554 178.4269 77 V 3.5994 8.5094 122.0610 64.2645 31.4075 178.5474 78 K 4.0932 7.8886 118.6458 59.1982 32.5828 178.1032 79 I 3.8520 7.5727 120.0483 63.5627 37.6853 176.5529 80 L 4.2143 7.4111 123.0287 53.4622 40.1327 176.9697 81 S 4.5357 7.9227 114.8505 59.8509 64.7642 175.6906 82 E 4.7177 7.9115 117.0603 53.0011 30.0365 177.0729 83 P 4.4112 0.0000 0.0000 62.1863 32.2838 177.0690 84 V 4.2834 8.0343 113.8409 60.9341 33.9377 174.4745 85 N 4.6174 7.2320 116.6336 52.7806 41.5945 172.1749 86 E 5.1030 8.3739 117.0356 54.7349 32.5482 175.2649 87 L 4.9736 9.2909 122.5979 54.5728 42.6062 178.9485 88 S 4.1467 8.4882 117.8224 61.4950 62.4800 175.4747 89 T 3.8984 7.7658 111.4802 63.3455 68.9426 175.2448 90 F 4.6629 8.1683 120.6262 57.1557 39.1219 176.9562 91 R 3.1075 7.4363 120.9793 59.7653 29.7110 178.1074 92 N 4.3441 7.9356 115.2706 56.3076 38.6582 177.2229 93 E 4.0779 8.1223 119.6399 59.2728 29.6271 179.3263 94 I 3.8083 7.9812 120.0117 64.5048 37.2338 178.5854 95 I 3.8376 8.1393 120.6724 64.2941 36.9261 178.3168 96 A 4.1506 8.2602 121.4887 55.1032 18.1654 179.6229 97 A 4.1493 8.1057 119.2639 55.2687 18.5054 179.8465 98 I 3.6979 7.8652 118.3855 64.7764 37.2270 178.2885 99 D 4.4181 8.6368 120.0516 57.3331 40.7462 178.7547 100 F 4.5850 8.3689 122.4116 60.8159 39.2023 176.8105 101 L 3.7192 7.7949 118.6111 57.6953 41.8467 178.2850 102 I 4.1151 7.4020 118.1378 63.3283 38.0802 177.5263 103 T 4.3362 8.2929 107.5061 61.3706 69.3841 175.7670 104 G 3.8109 7.9405 109.7653 45.4938 0.0000 173.7116 105 I 4.1341 7.4721 124.9447 61.5183 37.2402 175.5538 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 2 S 8.19 4.51 0.00 3.94 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 3 Q 8.94 3.64 0.00 2.06 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 5.71 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 4 F 9.92 4.29 0.00 3.37 3.18 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 5 T 8.14 4.34 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 0.53 0.00 0.00 6 L 8.58 4.92 0.00 1.48 1.38 0.39 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.57 4.88 0.00 1.55 2.37 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 8 K 8.90 4.47 0.00 1.85 1.76 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.25 7.81 9 N 8.71 4.80 0.00 2.96 2.84 0.00 0.00 7.23 6.40 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 10 K 8.93 4.17 0.00 1.84 1.87 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 11 D 8.34 4.37 0.00 2.76 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 *12 K 8.78 3.93 0.00 1.81 1.73 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.01 7.81 13 S 7.94 4.23 0.00 3.85 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 14 S 8.09 4.62 0.00 4.36 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 0.00 15 A 8.09 4.20 1.40 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 0.00 0.00 0.00 16 K 7.89 3.91 0.00 1.87 1.74 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.07 7.81 17 T 7.69 4.17 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 18 Y 8.04 5.68 0.00 3.13 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 19 P 0.00 4.70 0.00 1.36 2.19 0.00 4.16 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 20 Y 7.60 5.34 0.00 2.78 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 21 F 8.77 5.61 0.00 3.23 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 22 V 8.90 4.94 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 0.95 0.00 0.00 1.15 0.00 0.00 23 D 9.15 4.88 0.00 3.00 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 24 V 8.58 4.26 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 0.84 0.00 0.00 0.98 0.00 0.00 25 Q 8.55 4.24 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 26 S 8.34 4.17 0.00 3.87 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 27 D 8.61 4.40 0.00 2.74 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 28 L 7.64 4.07 0.00 1.66 1.74 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.95 4.70 0.00 1.77 1.62 0.91 1.04 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 30 D 7.83 4.64 0.00 2.77 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 31 N 8.01 4.45 0.00 2.82 2.99 0.00 0.00 6.14 7.79 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 32 L 7.58 4.12 0.00 1.73 1.62 0.90 1.07 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 33 N 8.66 4.95 0.00 2.81 3.01 0.00 0.00 5.63 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 34 T 7.70 5.16 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 1.17 0.00 0.00 35 R 8.72 4.81 0.00 1.61 1.76 0.00 3.42 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 36 L 8.88 4.57 0.00 1.76 1.51 0.92 0.61 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 37 V 9.04 5.11 2.37 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 0.72 0.00 0.00 0.64 0.00 0.00 38 I 8.73 4.92 1.96 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 1.32 0.93 0.97 0.00 0.00 39 P 0.00 5.08 0.00 2.29 2.15 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 40 L 9.07 5.30 0.00 1.72 1.47 0.93 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.80 5.35 4.35 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 1.30 0.00 0.00 42 P 0.00 4.81 0.00 1.97 1.95 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.33 0.00 43 I 8.39 3.77 1.81 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 1.20 0.50 0.90 0.00 0.00 44 E 8.34 4.85 0.00 2.03 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 2.09 2.00 0.00 *51 P 0.00 4.21 0.00 2.30 2.10 0.00 3.68 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 2.11 2.18 0.00 52 S 9.06 4.08 0.00 3.83 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 53 H 7.95 4.33 0.00 2.76 2.42 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 L 7.99 4.36 0.00 1.45 1.47 0.92 0.82 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 55 C 7.91 5.36 0.00 2.96 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 56 P 0.00 4.37 0.00 2.05 2.01 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 57 T 8.46 4.56 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 1.26 0.00 0.00 58 I 9.03 4.07 1.85 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.55 0.00 0.00 59 H 9.05 5.29 0.00 3.12 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.51 4.78 1.90 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 1.45 1.00 1.00 0.00 0.00 61 D 8.67 4.40 0.00 2.65 2.74 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 62 E 8.18 4.21 0.00 1.89 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 1.83 2.30 0.00 63 G 6.44 3.55 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 0.00 0.00 0.00 64 D 7.41 5.16 0.00 2.36 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 0.00 0.00 0.00 65 F 9.22 5.42 0.00 2.85 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 66 I 8.86 4.79 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.98 0.96 0.00 0.00 67 M 9.00 4.53 0.00 2.10 1.94 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 2.57 0.00 68 L 8.68 4.69 0.00 1.83 1.67 1.21 0.40 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 69 T 7.92 3.87 4.30 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 0.00 0.00 0.00 1.42 0.00 0.00 70 Q 8.11 4.22 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.18 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 71 Q 7.94 4.49 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 M 7.52 4.24 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.48 0.00 73 T 8.52 4.65 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 1.06 0.00 0.00 74 S 8.42 5.17 0.00 3.84 3.79 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 75 V 8.44 4.51 1.84 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 0.44 0.00 0.00 0.64 0.00 0.00 76 P 0.00 4.67 0.00 2.12 1.91 0.00 3.49 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 77 V 8.51 3.60 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 0.77 0.00 0.00 0.88 0.00 0.00 78 K 7.89 4.09 0.00 2.13 1.97 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.03 7.81 79 I 7.57 3.85 1.95 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 1.23 0.70 0.83 0.00 0.00 80 L 7.41 4.21 0.00 1.34 0.43 0.51 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.92 4.54 0.00 4.02 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 82 E 7.91 4.72 0.00 1.86 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 0.00 2.19 1.85 0.00 83 P 0.00 4.41 0.00 1.89 1.64 0.00 3.62 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 2.04 2.23 0.00 84 V 8.03 4.28 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 0.74 0.00 0.00 0.72 0.00 0.00 85 N 7.23 4.62 0.00 2.49 2.44 0.00 0.00 6.70 7.65 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 86 E 8.37 5.10 0.00 2.06 1.81 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 2.16 2.36 0.00 87 L 9.29 4.97 0.00 1.81 1.87 0.83 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.49 4.15 0.00 4.07 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 0.00 89 T 7.77 3.90 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 1.09 0.00 0.00 90 F 8.17 4.66 0.00 3.09 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 91 R 7.44 3.11 0.00 1.39 1.72 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 92 N 7.94 4.34 0.00 2.73 2.84 0.00 0.00 7.08 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 93 E 8.12 4.08 0.00 2.32 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 0.00 2.50 2.51 0.00 94 I 7.98 3.81 2.06 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 1.60 0.71 1.13 0.00 0.00 95 I 8.14 3.84 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.94 0.98 0.00 0.00 96 A 8.26 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.15 1.54 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 0.00 0.00 98 I 7.87 3.70 2.07 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 1.57 0.84 0.95 0.00 0.00 99 D 8.64 4.42 0.00 2.88 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 0.00 100 F 8.37 4.59 0.00 2.93 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 0.00 101 L 7.79 3.72 0.00 1.80 1.89 0.87 1.03 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 0.00 102 I 7.40 4.12 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 1.56 0.69 0.90 0.00 0.00 103 T 8.29 4.34 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 1.22 0.00 0.00 104 G 7.94 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 0.00 0.00 0.00 105 I 7.47 4.13 1.96 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 1.22 1.39 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.