NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4788 8.3049 120.3476 55.5241 33.5890 174.9162 2 K 4.2052 7.8147 121.8860 57.1710 35.7185 172.4395 3 T 3.6389 7.8989 115.4653 65.4073 73.4663 170.0913 4 Y 4.8257 8.4392 116.8246 60.0941 46.1662 175.7435 5 V 3.6976 7.9423 118.1300 62.5751 32.0464 173.1066 6 P 4.6842 0.0000 0.0000 61.3031 32.5596 175.9663 7 K 4.2641 8.3617 120.6656 55.9223 33.6287 176.4074 8 Q 4.0233 8.4014 118.4144 56.5738 29.2316 177.1582 9 V 4.4483 7.8994 118.9153 60.6637 34.7458 174.7006 10 E 4.2071 8.7083 126.2480 55.0340 29.7497 174.6227 11 P 4.6205 0.0000 0.0000 62.8891 32.6592 175.5235 12 R 4.6770 8.6557 122.5654 55.1491 31.8117 175.6535 13 W 4.9844 8.9839 125.7990 56.4226 31.2206 175.6769 14 V 4.6867 8.2720 118.0418 62.0318 34.9249 172.0435 15 L 5.2058 8.1865 129.3724 53.6382 45.1303 174.8486 16 I 4.3640 8.2762 121.8796 60.4504 42.0705 172.9912 17 D 4.6211 8.6130 128.1117 52.3363 41.5016 174.2712 18 A 4.4322 8.4692 130.2196 55.0393 19.1915 181.2014 19 E 4.0251 8.8968 118.6283 60.8447 30.6465 179.3466 20 G 3.8885 8.0068 105.9921 45.3375 0.0000 173.0411 21 K 4.4814 8.7933 121.5737 54.8772 35.2212 175.8530 22 T 5.3546 8.4837 117.9635 61.9450 69.2260 174.6797 23 L 4.1504 8.5284 127.9223 57.4396 40.7867 176.0547 24 G 4.3542 9.3972 114.6610 46.7619 0.0000 176.2927 25 R 3.9832 7.8036 117.8294 58.1495 30.3253 178.6041 26 L 4.0725 8.1225 120.1386 57.9394 42.2557 178.2573 27 A 3.9248 8.2226 120.2249 55.8084 18.2425 179.0966 28 T 3.7590 7.6868 110.7363 65.4103 67.3870 175.8139 29 K 3.8845 8.0161 119.4294 59.6137 31.9675 178.8439 30 I 3.6153 7.4083 118.3013 64.5143 37.3097 177.7920 31 A 4.1218 8.3758 121.4706 55.7340 18.1135 179.6342 32 T 3.7398 7.8807 113.9503 67.0186 68.2205 176.8077 33 L 3.9924 7.9764 120.4854 57.2502 41.3011 179.6183 34 L 3.8409 7.8599 119.0226 56.9739 42.0728 178.0359 35 R 4.3467 7.3671 116.2574 56.4528 30.9658 176.2792 36 G 4.3567 9.1689 106.5839 45.2592 0.0000 175.7440 37 K 3.6266 7.5904 119.6263 57.6672 32.1607 178.0609 38 H 4.5558 8.0178 113.4444 56.1548 29.1920 175.4717 39 R 4.1224 8.1293 122.5957 55.4033 30.4750 174.2966 40 P 4.8066 0.0000 0.0000 63.2406 31.3786 176.4001 41 D 4.6317 8.1651 118.9297 55.5529 41.5875 176.3020 42 W 4.4030 7.4098 127.1976 56.6422 31.1290 175.1205 43 T 4.1653 7.0748 121.5326 61.2756 71.7968 171.9812 44 P 3.7698 0.0000 0.0000 63.0630 32.1983 175.8640 45 N 4.6980 7.7522 115.6054 52.6820 37.5872 175.5970 46 V 4.0537 6.8933 116.3325 60.0594 33.6321 174.9274 47 A 3.6273 7.8233 122.2058 53.4350 14.9553 176.4100 48 M 4.7325 8.5998 119.1623 51.7617 34.2673 175.5598 49 G 4.3816 8.6260 114.0733 44.4512 0.0000 171.8302 50 D 5.2703 7.4331 122.1044 54.0312 41.5387 176.7962 51 F 3.8201 8.7771 121.2090 57.2157 40.2828 174.2119 52 V 4.4166 8.2969 123.6264 61.0517 33.9850 174.1640 53 V 5.3920 8.9057 128.5376 60.6771 33.5743 174.2538 54 V 5.4955 8.3014 127.6031 60.8638 33.6162 175.1299 55 V 4.5570 8.3443 127.3211 60.7764 34.1329 174.4505 56 N 4.1213 8.6608 116.8274 53.9073 36.0649 174.9112 57 A 4.1474 7.6444 121.6734 53.5199 19.2562 177.3052 58 D 3.9200 9.6367 112.7448 55.2211 40.0709 175.0433 59 K 4.1953 8.5957 117.9805 57.2320 31.1490 176.6078 60 I 4.1842 7.8956 111.7244 60.8852 37.6267 176.5279 61 R 4.4268 9.5102 127.2558 55.8527 31.3875 176.0588 62 V 4.9338 8.0901 120.9611 59.5733 34.6423 174.3181 63 T 4.4937 9.1555 116.3307 61.4818 68.6112 177.6240 64 G 4.4833 8.1843 102.7404 44.8483 0.0000 176.4302 65 K 4.4265 8.4672 118.4111 54.5909 31.4318 176.2187 66 K 4.4599 7.7683 126.1096 55.3524 32.4345 177.9346 67 L 4.4116 7.6744 119.7912 54.0310 42.4706 176.7527 68 E 3.9909 8.9009 120.8254 57.3227 27.7838 175.9978 69 Q 4.0440 8.3012 117.9510 58.3390 29.3465 176.5261 70 K 4.0240 7.9427 122.2556 56.3032 32.0796 175.2981 71 I 4.7925 8.0638 127.3580 60.0894 39.0914 175.9232 72 Y 4.5066 8.3414 122.4736 63.6335 37.6216 179.7738 73 T 3.2660 7.4944 114.8574 64.0942 70.3554 177.6151 74 R 3.1193 7.8579 115.0469 58.7553 30.4706 176.6439 75 Y 4.3316 10.0131 122.2228 56.9357 37.4120 174.6289 76 S 5.0549 8.4574 120.5450 55.9722 63.0237 173.3299 77 G 3.5874 8.1551 120.0197 45.7777 0.0000 172.3458 78 Y 5.1354 7.2039 130.2678 55.7253 39.5398 172.8098 79 P 4.8087 0.0000 0.0000 62.7992 33.4245 174.6951 80 G 4.2875 7.7250 112.3001 45.1323 0.0000 172.9369 81 G 4.1986 7.6574 110.1682 43.6657 0.0000 173.7997 82 L 4.8222 7.6015 125.5466 59.6899 40.8998 178.1649 83 K 4.6174 6.7731 118.1034 54.4037 30.8611 173.3714 84 K 4.7227 8.3882 124.7539 54.7024 34.6428 176.2893 85 I 4.5841 8.1993 124.1865 58.6905 40.5736 173.0118 86 P 4.7176 0.0000 0.0000 62.6649 32.0569 177.1317 87 L 4.0864 8.8387 122.9898 58.6359 41.8983 178.9876 88 E 3.9191 8.3536 117.7938 59.6656 29.2867 179.0677 89 K 3.8216 7.7422 117.6798 60.1814 32.3956 178.9740 90 M 4.1573 7.9556 119.1858 57.8805 31.6158 178.7895 91 L 4.0173 7.5673 117.2705 56.1239 42.0120 179.3873 92 A 4.1335 8.3499 118.8849 52.3899 18.2491 178.9771 93 T 3.3741 5.7900 115.0302 63.2944 68.4795 172.8595 94 H 4.3391 8.5066 116.4010 56.2065 26.8065 171.9549 95 P 5.0462 0.0000 0.0000 63.1440 31.9178 178.0893 96 E 4.1614 8.0981 117.1758 58.6111 29.8750 179.0932 97 R 3.8448 8.0107 118.7150 59.9445 30.0987 179.6806 98 V 3.3433 6.9684 117.0108 65.3392 32.4974 177.4862 99 L 3.9508 7.9628 119.7036 58.8008 42.0188 177.9086 100 E 3.9371 7.9314 116.7668 60.6205 29.5035 179.0461 101 H 4.0488 8.8667 114.1036 59.5974 28.8023 176.9063 102 A 3.9804 8.3190 122.8601 55.9856 18.6571 179.2642 103 V 3.7040 8.4389 115.6474 66.0563 31.5722 178.1589 104 K 4.1530 8.6232 119.4761 59.6604 31.7760 179.3483 105 G 3.8864 7.7400 100.2607 45.5759 0.0000 173.4486 106 M 4.7238 7.8179 117.6061 54.3683 33.7250 175.9073 107 L 4.4929 8.0001 119.8153 52.6870 43.2042 174.9605 108 P 4.4961 0.0000 0.0000 62.6336 31.8764 177.3656 109 K 4.1085 8.4842 118.1416 58.4119 33.7788 178.2316 110 G 3.9078 7.6320 108.9171 44.7374 0.0000 171.8111 111 P 4.2614 0.0000 0.0000 65.3003 31.1897 178.4777 112 L 4.0401 7.8967 119.0102 58.1024 42.2500 178.7375 113 G 4.3710 8.1038 106.5566 47.5408 0.0000 175.5287 114 R 3.9857 7.7000 118.8585 58.9102 30.1636 178.8395 115 R 4.0904 7.7094 118.7792 59.1430 30.0229 178.5597 116 L 3.8879 8.3205 119.4152 57.6528 41.5345 179.1566 117 F 4.0535 8.1543 119.8888 60.8597 39.0213 176.9000 118 K 4.1043 7.5699 116.7801 58.2010 32.2302 177.7046 119 R 3.8288 8.1331 118.1602 55.9230 30.0387 174.9047 120 L 4.7900 7.0483 121.5376 53.1626 43.7043 175.9923 121 K 4.2269 9.0595 127.1015 54.6937 34.2639 174.9362 122 V 4.5903 7.7902 125.0014 61.3287 33.2946 174.5450 123 Y 4.7957 9.0458 124.7628 55.3297 41.6423 176.2704 124 A 4.7280 8.4891 127.4290 51.4747 17.3949 178.7130 125 G 4.1434 7.7574 111.8330 43.9716 0.0000 169.0018 126 P 4.3631 0.0000 0.0000 62.9312 32.8626 171.8474 127 D 4.3751 8.7304 124.6495 54.9492 37.6476 173.7549 128 H 4.2727 7.9584 122.1234 52.0808 27.3785 170.6947 129 P 3.9632 0.0000 0.0000 64.4845 31.3113 176.8459 130 H 4.7489 8.1298 131.0234 57.0064 29.5798 174.7543 131 Q 3.8408 6.5198 116.3342 56.5032 29.6784 176.6242 132 A 4.4903 7.6863 123.4738 51.2682 19.7455 175.9228 133 Q 4.4335 7.2786 113.6363 56.0487 32.1594 174.9060 134 R 4.7291 8.3186 120.8939 54.4478 29.8530 173.1409 135 P 4.3316 0.0000 0.0000 63.4141 32.7434 176.9241 136 E 4.3813 8.7788 127.0831 56.3152 29.8698 175.9845 137 K 4.5353 8.8367 129.1539 55.1600 34.1752 175.7546 138 L 4.4888 8.3539 126.5645 53.5362 43.6913 177.2868 *139 E 4.1515 8.7650 118.8667 56.1064 30.3597 171.9749 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 M 8.30 4.48 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 K 7.81 4.21 0.00 1.69 1.39 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.47 7.81 3 T 7.90 3.64 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 1.26 0.00 0.00 4 Y 8.44 4.83 0.00 2.93 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 5 V 7.94 3.70 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 0.82 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.68 0.00 2.21 2.03 0.00 3.80 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 1.90 2.08 0.00 7 K 8.36 4.26 0.00 1.89 1.85 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 8 Q 8.40 4.02 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 9 V 7.90 4.45 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 0.84 0.00 0.00 1.02 0.00 0.00 10 E 8.71 4.21 0.00 1.99 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 2.33 2.41 0.00 11 P 0.00 4.62 0.00 2.48 2.29 0.00 3.90 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 2.14 2.16 0.00 12 R 8.66 4.68 0.00 2.01 2.10 0.00 3.24 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 13 W 8.98 4.98 0.00 3.25 3.30 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 0.00 14 V 8.27 4.69 2.22 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 0.77 0.00 0.00 1.05 0.00 0.00 15 L 8.19 5.21 0.00 1.66 1.48 0.94 0.88 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 16 I 8.28 4.36 1.87 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 1.12 1.02 0.97 0.00 0.00 17 D 8.61 4.62 0.00 2.69 2.51 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 18 A 8.47 4.43 1.30 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 0.00 0.00 0.00 19 E 8.90 4.03 0.00 2.20 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 20 G 8.01 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 21 K 8.79 4.48 0.00 1.79 1.75 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.55 7.81 22 T 8.48 5.35 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 1.22 0.00 0.00 23 L 8.53 4.15 0.00 1.68 1.72 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.40 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 0.00 0.00 0.00 0.00 25 R 7.80 3.98 0.00 1.95 2.00 0.00 3.21 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 L 8.12 4.07 0.00 1.77 1.73 0.91 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 27 A 8.22 3.92 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 28 T 7.69 3.76 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 1.28 0.00 0.00 29 K 8.02 3.88 0.00 1.95 1.81 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.68 7.81 30 I 7.41 3.62 2.01 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 1.42 0.43 0.85 0.00 0.00 31 A 8.38 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 3.74 4.31 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 0.00 0.00 0.00 1.12 0.00 0.00 33 L 7.98 3.99 0.00 1.99 1.64 0.59 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.86 3.84 0.00 1.78 1.69 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.37 4.35 0.00 1.66 2.15 0.00 3.21 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 36 G 9.17 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 0.00 0.00 0.00 0.00 37 K 7.59 3.63 0.00 1.48 1.54 0.00 1.21 0.00 0.00 1.40 0.00 0.00 2.63 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.48 0.21 7.81 38 H 8.02 4.56 0.00 3.26 3.36 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.13 4.12 0.00 1.86 1.92 0.00 3.11 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 40 P 0.00 4.81 0.00 2.26 2.15 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 41 D 8.17 4.63 0.00 2.71 2.78 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 42 W 7.41 4.40 0.00 3.48 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.07 4.17 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 1.04 0.00 0.00 44 P 0.00 3.77 0.00 2.13 2.20 0.00 3.49 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 45 N 7.75 4.70 0.00 2.77 2.87 0.00 0.00 5.84 7.68 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 46 V 6.89 4.05 1.92 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 0.58 0.00 0.00 0.86 0.00 0.00 47 A 7.82 3.63 1.30 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 0.00 0.00 0.00 48 M 8.60 4.73 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 49 G 8.63 4.38 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 0.00 50 D 7.43 5.27 0.00 2.60 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 51 F 8.78 3.82 0.00 1.51 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 52 V 8.30 4.42 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 0.88 0.00 0.00 0.85 0.00 0.00 53 V 8.91 5.39 2.27 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 1.22 0.00 0.00 1.15 0.00 0.00 54 V 8.30 5.50 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 1.05 0.00 0.00 0.91 0.00 0.00 55 V 8.34 4.56 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 1.00 0.00 0.00 56 N 8.66 4.12 0.00 3.14 2.91 0.00 0.00 6.81 7.35 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 57 A 7.64 4.15 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 58 D 9.64 3.92 0.00 2.93 2.85 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 59 K 8.60 4.20 0.00 1.96 2.03 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.37 7.81 60 I 7.90 4.18 1.90 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 1.38 1.59 0.97 0.00 0.00 61 R 9.51 4.43 0.00 1.77 1.89 0.00 3.24 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 62 V 8.09 4.93 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 0.79 0.00 0.00 0.96 0.00 0.00 63 T 9.16 4.49 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 64 G 8.18 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 0.00 0.00 0.00 65 K 8.47 4.43 0.00 1.70 1.72 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.37 7.81 66 K 7.77 4.46 0.00 1.81 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 67 L 7.67 4.41 0.00 1.71 1.72 0.93 1.04 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 68 E 8.90 3.99 0.00 2.08 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 0.00 2.24 2.64 0.00 69 Q 8.30 4.04 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 70 K 7.94 4.02 0.00 1.81 1.74 0.00 1.21 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.55 1.41 7.81 71 I 8.06 4.79 1.86 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 1.43 0.95 0.94 0.00 0.00 72 Y 8.34 4.51 0.00 3.14 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 73 T 7.49 3.27 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 1.25 0.00 0.00 74 R 7.86 3.12 0.00 2.44 2.16 0.00 3.23 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 75 Y 10.01 4.33 0.00 2.97 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 76 S 8.46 5.05 0.00 3.85 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 77 G 8.16 3.59 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 0.00 0.00 0.00 78 Y 7.20 5.14 0.00 2.93 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 79 P 0.00 4.81 0.00 2.30 2.50 0.00 4.09 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 80 G 7.72 4.29 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 0.00 81 G 7.66 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 0.00 0.00 0.00 0.00 82 L 7.60 4.82 0.00 1.75 1.74 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 83 K 6.77 4.62 0.00 1.80 1.90 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.39 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.27 1.44 7.81 84 K 8.39 4.72 0.00 1.66 1.71 0.00 1.75 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 1.56 1.44 7.81 85 I 8.20 4.58 1.84 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.38 0.83 0.00 0.00 86 P 0.00 4.72 0.00 2.14 2.21 0.00 3.71 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 2.08 1.98 0.00 87 L 8.84 4.09 0.00 2.01 1.95 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.35 3.92 0.00 2.06 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 2.43 2.52 0.00 89 K 7.74 3.82 0.00 1.96 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 90 M 7.96 4.16 0.00 1.85 1.97 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 2.10 2.28 0.00 91 L 7.57 4.02 0.00 1.79 1.73 0.98 1.25 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 92 A 8.35 4.13 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 93 T 5.79 3.37 4.11 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 1.18 0.00 0.00 94 H 8.51 4.34 0.00 3.43 3.65 0.00 5.19 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 5.05 0.00 2.24 2.49 0.00 3.89 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 2.04 1.91 0.00 96 E 8.10 4.16 0.00 2.09 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 0.00 2.35 2.26 0.00 97 R 8.01 3.84 0.00 1.85 1.82 0.00 3.12 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 98 V 6.97 3.34 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 1.13 0.00 0.00 0.89 0.00 0.00 99 L 7.96 3.95 0.00 1.76 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.93 3.94 0.00 2.20 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 0.00 2.28 2.63 0.00 101 H 8.87 4.05 0.00 3.47 3.51 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.32 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.44 3.70 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 1.00 0.00 0.00 1.02 0.00 0.00 104 K 8.62 4.15 0.00 1.65 2.13 0.00 1.32 0.00 0.00 1.37 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.30 7.81 105 G 7.74 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 0.00 106 M 7.82 4.72 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.47 0.00 107 L 8.00 4.49 0.00 1.80 1.63 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.50 0.00 2.24 2.22 0.00 3.73 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 2.12 2.03 0.00 109 K 8.48 4.11 0.00 1.87 1.96 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.42 7.81 110 G 7.63 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 0.00 0.00 0.00 111 P 0.00 4.26 0.00 2.16 2.10 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 112 L 7.90 4.04 0.00 1.73 1.65 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.10 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 0.00 0.00 0.00 0.00 114 R 7.70 3.99 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 115 R 7.71 4.09 0.00 2.01 2.07 0.00 3.09 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 116 L 8.32 3.89 0.00 1.73 1.66 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.15 4.05 0.00 3.14 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 0.00 118 K 7.57 4.10 0.00 1.85 1.87 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.82 7.81 119 R 8.13 3.83 0.00 1.56 1.02 0.00 2.21 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.15 0.00 120 L 7.05 4.79 0.00 1.25 1.21 0.59 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.06 4.23 0.00 1.70 1.70 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.81 7.81 122 V 7.79 4.59 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 0.74 0.00 0.00 0.82 0.00 0.00 123 Y 9.05 4.80 0.00 2.99 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 0.00 124 A 8.49 4.73 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 0.00 125 G 7.76 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.36 0.00 2.21 2.27 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 127 D 8.73 4.38 0.00 2.84 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 0.00 128 H 7.96 4.27 0.00 3.28 3.50 0.00 5.48 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 3.96 0.00 2.03 2.02 0.00 3.34 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 130 H 8.13 4.75 0.00 3.07 3.32 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 6.52 3.84 0.00 2.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.51 2.25 0.00 132 A 7.69 4.49 1.06 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 0.00 0.00 133 Q 7.28 4.43 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.28 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 134 R 8.32 4.73 0.00 1.92 2.10 0.00 3.15 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 135 P 0.00 4.33 0.00 2.18 2.32 0.00 3.84 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 2.38 2.04 0.00 136 E 8.78 4.38 0.00 2.02 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 0.00 2.30 2.46 0.00 137 K 8.84 4.54 0.00 1.80 1.67 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.41 7.81 138 L 8.35 4.49 0.00 1.63 1.55 0.93 0.86 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 *139 E 8.76 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.