NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4453 8.1233 122.4680 51.8642 20.2954 175.4087 2 E 4.7708 8.7180 121.8420 53.5324 33.0284 170.4927 3 V 3.9436 8.7415 126.3631 62.5155 32.5111 175.5349 4 A 4.2863 8.9768 129.8720 51.7128 19.3276 176.5889 5 P 3.7440 0.0000 0.0000 65.6505 31.4389 178.2867 6 G 3.7702 8.0444 104.2547 47.3984 0.0000 173.2532 7 D 4.8716 8.1370 118.1260 53.6313 42.1517 176.3144 8 V 3.7271 7.7381 119.8242 62.3606 32.1491 175.0781 9 A 4.2166 8.5130 130.3364 51.7020 18.8639 176.6927 10 I 4.5655 8.1194 123.8114 59.2372 39.6452 175.4827 11 D 4.6515 8.4518 126.7228 52.6080 40.4760 177.0703 12 G 3.6068 8.5003 106.7571 48.1550 0.0000 174.3859 13 Q 4.1795 8.6784 117.6448 55.5917 29.2729 176.6220 14 G 3.9451 8.1328 107.7829 45.3680 0.0000 173.5705 15 H 4.6604 8.0440 116.9524 55.3998 29.7759 174.5424 16 V 4.3803 8.6922 122.0155 61.0614 33.0731 176.3050 17 A 4.1325 8.7501 130.9802 53.8929 18.8767 177.2765 18 R 4.6861 7.5372 113.2012 53.4638 32.5246 174.3559 19 P 4.5327 0.0000 0.0000 62.9138 32.0157 176.7414 20 L 4.2371 9.0679 120.0187 56.1445 41.9276 176.5843 21 T 4.9056 7.2496 111.7482 61.0138 70.0715 172.6456 22 D 4.5677 8.0463 122.1186 53.7463 40.1902 176.9269 23 A 4.1939 7.3797 123.6053 51.0179 18.9914 175.6380 24 P 4.4057 0.0000 0.0000 62.2642 32.1787 176.4753 25 G 3.5674 8.4720 110.3265 45.4597 0.0000 173.3054 26 D 4.6417 9.6082 124.9285 52.2665 41.6772 175.2911 27 P 4.3672 0.0000 0.0000 65.6022 31.2649 178.5857 28 V 3.5297 8.0960 118.4028 66.0094 31.4262 177.6329 29 E 4.0112 8.5278 118.7510 58.9728 29.5686 178.5151 30 G 3.7150 8.3269 106.3456 47.9146 0.0000 175.4258 31 R 2.9225 7.7453 121.1698 58.8061 30.0026 178.5945 32 R 3.8940 7.5236 117.9724 59.3867 30.1940 178.4648 33 L 3.9965 8.1544 119.1472 58.0600 41.5030 179.4332 34 M 4.0856 8.0279 118.7894 57.5839 31.6538 177.7854 35 T 4.6286 7.0707 105.8806 60.5266 69.9827 174.1196 36 D 4.4346 7.7435 122.8579 54.0556 40.7268 176.7884 37 R 4.2812 8.4692 126.3748 58.5643 30.2517 178.4685 38 S 4.4357 8.6905 113.1674 59.6994 62.8751 173.7725 39 V 4.2332 7.2150 116.8147 63.6248 34.2599 176.5131 40 G 3.5823 7.7429 110.5126 47.3073 0.0000 173.6316 41 N 4.2072 8.3346 117.5617 54.3741 38.2418 175.7704 42 C 4.3576 8.3065 116.0881 62.1282 28.7277 176.2847 43 I 4.3324 8.0063 111.5337 62.0996 37.9075 177.6703 44 A 4.0060 7.9850 125.0340 54.9272 18.4468 178.4431 45 C 4.7102 8.1011 111.3326 59.9643 31.2191 173.8187 46 H 5.1881 8.2593 116.0493 53.6274 32.0022 172.7796 47 E 4.3201 8.7922 123.8049 55.8493 31.3252 175.7577 48 V 4.6789 8.1928 125.2328 61.3520 33.5177 175.8087 49 T 4.0453 9.0617 119.1098 63.9342 69.0397 175.7487 50 E 4.1436 8.2528 122.2956 58.7338 31.4786 177.0482 51 M 4.1393 7.8873 115.2407 55.7440 30.2324 178.8375 *55 Q 3.6470 8.9458 120.2400 57.2152 30.6311 174.3044 56 F 4.0613 8.0481 116.1983 58.1843 36.1734 174.2688 57 P 4.5819 0.0000 0.0000 62.3675 32.3004 176.9165 58 G 4.4446 8.8558 110.1182 45.4557 0.0000 173.3376 59 T 4.5958 8.0704 105.5020 61.0611 69.6025 175.2446 60 V 3.6055 8.1174 123.1969 65.9326 31.6834 176.5498 61 G 3.8848 7.6783 107.2751 43.0280 0.0000 171.3687 62 P 4.4622 0.0000 0.0000 61.6884 32.1190 176.2437 63 S 4.2689 8.4434 113.8816 59.0878 62.7439 174.0608 64 L 4.3055 8.6809 125.9332 54.5394 41.9013 176.3260 65 D 4.4079 7.5202 119.5581 56.2443 41.0684 177.2333 66 G 3.9303 8.9265 112.2384 45.0157 0.0000 175.2004 67 V 3.2267 7.6033 119.8678 64.4746 31.3144 178.3763 68 A 3.9405 7.6940 121.8146 54.0696 18.4062 178.2304 69 A 4.2354 8.0407 118.7181 53.6339 18.9131 178.3700 70 R 4.5486 7.7783 110.5905 56.4245 31.2903 175.9393 71 Y 5.0361 7.9132 115.3601 55.0994 40.9079 173.7705 72 P 4.5494 0.0000 0.0000 62.1237 32.6674 176.7569 73 E 3.8923 8.9699 119.7870 59.7796 29.3133 179.1431 74 A 4.4570 7.9184 121.2672 54.5790 18.3588 179.1548 75 M 3.6090 7.9776 116.9942 58.5626 32.2148 178.3885 76 I 3.7761 7.7197 119.5087 64.5350 37.3369 178.2395 77 R 3.9996 8.4354 119.9498 59.3030 29.7382 178.8302 78 G 4.0686 7.8208 106.5358 47.3247 0.0000 175.5850 79 I 3.8538 7.8142 121.4158 64.1658 37.0842 178.0464 80 L 4.3639 7.7282 119.6914 56.9879 41.6882 179.6094 81 V 3.9330 7.8890 118.5960 64.7591 32.0489 175.3320 82 N 4.6645 8.1150 119.8403 51.4549 40.1019 174.1867 83 S 4.3806 8.8963 122.0817 61.6308 62.6629 176.5920 84 K 3.8700 8.1674 121.6846 59.2714 31.4906 178.9829 85 N 4.3265 8.1830 116.3249 55.6564 38.4219 176.8172 86 V 4.0680 7.4571 117.9876 63.3412 33.4537 175.8182 87 F 4.8877 8.5522 119.4784 53.7331 39.1211 171.2118 88 P 4.5812 0.0000 0.0000 63.4557 31.7667 176.1488 89 E 3.8315 9.1083 119.9028 57.2582 26.9510 174.5631 90 T 4.0547 7.8640 113.1661 62.4784 67.7479 174.6342 91 V 3.9602 8.1373 117.8923 62.2758 32.2328 176.5306 92 M 4.2087 7.9048 121.1265 54.5975 32.4823 174.2758 93 P 4.1603 0.0000 0.0000 62.6291 32.0268 175.9421 94 A 4.5174 8.1727 123.8509 51.3716 18.7487 177.0858 95 Y 4.3001 8.3895 120.2656 59.9831 38.6542 175.9646 96 Y 4.9142 7.9717 120.9141 57.4899 39.3506 175.1357 97 R 4.7243 8.1565 116.2361 54.5952 33.2104 176.4436 98 V 4.7296 8.2290 111.6396 60.8242 33.6866 175.0947 99 E 4.5310 7.6041 118.3050 55.5360 32.9801 176.0406 100 G 3.7450 8.6787 108.8071 45.3026 0.0000 173.9299 101 F 4.3864 7.1972 117.5000 57.1689 39.6388 174.6120 102 N 4.6775 8.7492 121.1747 52.7816 39.2365 175.7124 103 R 3.8464 8.6653 124.5655 56.5351 27.8255 175.1049 104 P 4.3314 0.0000 0.0000 62.9074 32.9057 176.6843 105 G 4.3984 8.2845 108.8362 44.1223 0.0000 172.8652 106 I 4.0068 8.6764 121.2392 59.7141 37.5681 177.6630 107 A 3.0823 8.2961 133.3323 53.4113 18.1481 177.0824 108 F 4.8047 8.6976 115.7995 60.0452 39.0112 176.0981 109 T 4.1327 8.0251 110.3925 61.8992 68.9098 175.7309 110 S 3.9164 8.0423 116.7107 58.8947 60.8754 170.4153 111 K 4.5614 7.4917 121.3322 54.6072 33.4080 174.7308 112 P 4.8096 0.0000 0.0000 62.7011 32.4170 175.9530 113 I 3.9766 8.0778 123.2708 61.3416 37.4183 175.3598 114 E 4.6212 8.9213 126.8043 55.5349 32.4846 177.6217 115 G 3.8522 8.6149 109.1275 45.0585 0.0000 172.3654 116 E 4.0658 8.5588 122.4781 56.0279 30.4144 176.7355 117 I 4.2941 8.1407 126.3758 59.9788 38.3756 175.6956 118 R 4.3736 8.3028 124.7984 54.2382 31.1957 174.7307 119 P 4.6774 0.0000 0.0000 62.4777 32.0409 176.5331 120 L 4.1621 8.5657 119.4354 57.5087 41.7853 177.5613 121 M 5.1461 8.1020 115.9044 52.9060 35.8578 175.6619 122 T 4.5533 8.9825 112.1933 60.8744 71.4152 175.6847 123 A 3.7120 8.7382 122.9882 55.4233 18.1665 180.2346 124 G 3.5071 7.9937 103.5266 47.9227 0.0000 175.8688 125 Q 4.0139 8.2230 120.4325 58.7330 28.7172 178.9762 126 I 3.6434 8.0736 121.1975 64.5151 37.0860 178.4196 127 E 4.0836 8.4227 119.6536 59.2169 29.1842 179.1623 128 D 4.3341 8.4207 119.4707 57.4529 40.8676 178.9647 129 V 3.6248 8.0202 118.9249 65.9871 31.4964 178.1063 130 V 3.5474 8.4240 118.0765 66.0170 31.1240 177.8036 131 A 3.9962 8.0561 119.6102 55.2250 18.3967 178.7750 132 Y 4.1404 8.0130 117.9789 60.9678 38.9578 178.1106 133 L 3.7368 8.2035 120.0592 57.9846 41.4645 179.2451 134 M 4.1475 7.9389 117.4679 57.4371 31.9786 177.8581 135 T 4.1365 7.5253 108.7830 62.1173 70.9768 175.4651 136 L 4.2435 7.5086 125.2604 53.6289 40.1179 176.7312 137 T 4.0901 7.5758 111.7657 62.8155 70.9868 176.3589 *138 Q 4.1254 7.9709 124.2899 55.1054 28.8384 179.0686 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 A 8.12 4.45 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 4.77 0.00 1.96 1.88 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 2.21 2.40 0.00 3 V 8.74 3.94 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 0.77 0.00 0.00 0.96 0.00 0.00 4 A 8.98 4.29 1.27 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 5 P 0.00 3.74 0.00 1.85 1.72 0.00 3.57 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.95 0.00 6 G 8.04 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 0.00 0.00 0.00 7 D 8.14 4.87 0.00 2.78 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 8 V 7.74 3.73 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 0.82 0.00 0.00 1.17 0.00 0.00 9 A 8.51 4.22 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 10 I 8.12 4.57 1.88 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 1.50 0.92 0.92 0.00 0.00 11 D 8.45 4.65 0.00 2.90 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 12 G 8.50 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 13 Q 8.68 4.18 0.00 1.74 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 14 G 8.13 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 0.00 0.00 0.00 15 H 8.04 4.66 0.00 3.45 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.69 4.38 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 1.01 0.00 0.00 0.95 0.00 0.00 17 A 8.75 4.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.69 0.00 1.79 1.83 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 19 P 0.00 4.53 0.00 2.14 1.97 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 20 L 9.07 4.24 0.00 1.54 1.53 0.42 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.25 4.91 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 22 D 8.05 4.57 0.00 2.88 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 23 A 7.38 4.19 1.27 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 24 P 0.00 4.41 0.00 2.19 2.06 0.00 3.77 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 1.99 1.96 0.00 25 G 8.47 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.61 4.64 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.44 2.50 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 2.12 2.05 0.00 28 V 8.10 3.53 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 0.97 0.00 0.00 0.95 0.00 0.00 29 E 8.53 4.01 0.00 2.10 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 2.47 2.41 0.00 30 G 8.33 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 0.00 0.00 0.00 31 R 7.75 2.92 0.00 1.38 1.84 0.00 3.01 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.53 0.00 32 R 7.52 3.89 0.00 1.83 1.96 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 33 L 8.15 4.00 0.00 1.80 1.66 0.90 1.05 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 34 M 8.03 4.09 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.49 0.00 35 T 7.07 4.63 4.20 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 1.14 0.00 0.00 36 D 7.74 4.43 0.00 2.87 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 37 R 8.47 4.28 0.00 1.85 2.00 0.00 3.32 0.00 0.00 2.73 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 38 S 8.69 4.44 0.00 4.06 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 39 V 7.21 4.23 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 0.86 0.00 0.00 1.06 0.00 0.00 40 G 7.74 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.21 0.00 3.18 2.91 0.00 0.00 7.24 7.26 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 42 C 8.31 4.36 0.00 3.04 3.01 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 43 I 8.01 4.33 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 1.33 2.04 0.91 0.00 0.00 44 A 7.98 4.01 1.39 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 0.00 0.00 0.00 45 C 8.10 4.71 0.00 2.80 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 46 H 8.26 5.19 0.00 3.19 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.79 4.32 0.00 2.07 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 2.38 2.31 0.00 48 V 8.19 4.68 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 1.11 0.00 0.00 0.99 0.00 0.00 49 T 9.06 4.05 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 1.27 0.00 0.00 50 E 8.25 4.14 0.00 1.95 2.11 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 2.33 2.30 0.00 51 M 7.89 4.14 0.00 2.00 1.63 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 2.73 2.44 0.00 *55 Q 8.95 3.65 0.00 1.57 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 1.90 2.16 0.00 56 F 8.05 4.06 0.00 3.22 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 57 P 0.00 4.58 0.00 2.27 2.07 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 58 G 8.86 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 59 T 8.07 4.60 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 1.22 0.00 0.00 60 V 8.12 3.61 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 0.77 0.00 0.00 0.92 0.00 0.00 61 G 7.68 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 0.00 0.00 0.00 62 P 0.00 4.46 0.00 2.17 2.05 0.00 3.82 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 63 S 8.44 4.27 0.00 3.94 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 64 L 8.68 4.31 0.00 1.70 1.58 0.77 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.52 4.41 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.93 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 67 V 7.60 3.23 1.95 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 0.64 0.00 0.00 0.73 0.00 0.00 68 A 7.69 3.94 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.04 4.24 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.78 4.55 0.00 2.03 2.04 0.00 2.81 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.00 71 Y 7.91 5.04 0.00 2.92 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 72 P 0.00 4.55 0.00 2.23 2.19 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 73 E 8.97 3.89 0.00 2.05 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 2.38 2.39 0.00 74 A 7.92 4.46 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 75 M 7.98 3.61 0.00 2.08 1.72 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.25 0.00 76 I 7.72 3.78 2.04 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 1.63 0.75 0.93 0.00 0.00 77 R 8.44 4.00 0.00 1.85 1.91 0.00 3.27 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 78 G 7.82 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 79 I 7.81 3.85 2.19 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.79 1.18 0.00 0.00 80 L 7.73 4.36 0.00 1.84 1.73 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.89 3.93 2.15 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 1.15 0.00 0.00 0.98 0.00 0.00 82 N 8.11 4.66 0.00 2.75 2.70 0.00 0.00 7.00 8.40 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 83 S 8.90 4.38 0.00 4.34 4.48 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 0.00 84 K 8.17 3.87 0.00 2.08 1.94 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.50 1.59 7.81 85 N 8.18 4.33 0.00 2.82 2.87 0.00 0.00 6.89 6.96 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 86 V 7.46 4.07 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 -0.02 0.00 0.00 0.84 0.00 0.00 87 F 8.55 4.89 0.00 3.18 2.89 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 88 P 0.00 4.58 0.00 2.08 2.06 0.00 3.93 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 89 E 9.11 3.83 0.00 2.17 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 2.23 2.31 0.00 90 T 7.86 4.05 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 1.43 0.00 0.00 91 V 8.14 3.96 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 0.75 0.00 0.00 0.94 0.00 0.00 92 M 7.90 4.21 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.79 0.00 93 P 0.00 4.16 0.00 1.29 1.64 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 94 A 8.17 4.52 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 95 Y 8.39 4.30 0.00 3.51 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 96 Y 7.97 4.91 0.00 2.91 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 97 R 8.16 4.72 0.00 1.94 1.73 0.00 3.32 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 98 V 8.23 4.73 2.26 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 0.73 0.00 0.00 0.86 0.00 0.00 99 E 7.60 4.53 0.00 1.76 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 0.00 2.13 2.21 0.00 100 G 8.68 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.20 4.39 0.00 3.06 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 0.00 102 N 8.75 4.68 0.00 2.75 2.79 0.00 0.00 6.99 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 0.00 103 R 8.67 3.85 0.00 1.96 1.99 0.00 3.22 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 104 P 0.00 4.33 0.00 2.01 2.14 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 105 G 8.28 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 0.00 0.00 0.00 0.00 106 I 8.68 4.01 1.83 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 1.12 0.51 0.87 0.00 0.00 107 A 8.30 3.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.70 4.80 0.00 3.03 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 0.00 109 T 8.03 4.13 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 0.00 110 S 8.04 3.92 0.00 4.07 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 0.00 111 K 7.49 4.56 0.00 1.64 1.70 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.56 7.81 112 P 0.00 4.81 0.00 2.07 2.04 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 113 I 8.08 3.98 1.86 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 1.17 0.55 0.89 0.00 0.00 114 E 8.92 4.62 0.00 1.91 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 2.20 2.42 0.00 115 G 8.61 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 0.00 116 E 8.56 4.07 0.00 1.94 1.85 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 2.28 2.32 0.00 117 I 8.14 4.29 2.12 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 1.44 0.74 0.97 0.00 0.00 118 R 8.30 4.37 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 119 P 0.00 4.68 0.00 2.63 1.86 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.92 0.00 120 L 8.57 4.16 0.00 1.77 1.94 0.56 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 121 M 8.10 5.15 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 122 T 8.98 4.55 4.33 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 0.00 0.00 0.00 1.28 0.00 0.00 123 A 8.74 3.71 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 0.00 124 G 7.99 3.51 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 0.00 0.00 0.00 0.00 125 Q 8.22 4.01 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 126 I 8.07 3.64 1.83 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 1.49 0.67 0.82 0.00 0.00 127 E 8.42 4.08 0.00 1.93 1.98 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 2.41 2.46 0.00 128 D 8.42 4.33 0.00 2.89 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.02 3.62 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 1.06 0.00 0.00 0.95 0.00 0.00 130 V 8.42 3.55 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 0.95 0.00 0.00 0.99 0.00 0.00 131 A 8.06 4.00 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 0.00 132 Y 8.01 4.14 0.00 3.24 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 0.00 133 L 8.20 3.74 0.00 1.83 1.65 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 134 M 7.94 4.15 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.84 0.00 135 T 7.53 4.14 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 1.22 0.00 0.00 136 L 7.51 4.24 0.00 1.71 1.52 0.80 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.58 4.09 4.20 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 1.17 0.00 0.00 *138 Q 7.97 4.13 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.