NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3778 0.0000 0.0000 62.5448 32.0772 176.2222 6 T 3.7372 8.2596 114.6971 60.7868 70.5787 172.6530 7 I 3.6279 8.6037 124.0702 64.8322 37.3933 179.0153 8 N 4.2263 8.1884 115.4619 57.5777 38.9262 175.8459 9 Q 3.8586 9.2831 118.9194 59.3970 28.7859 179.4297 10 L 3.8770 8.2368 119.1256 58.3056 41.7261 179.9973 11 V 3.6081 7.6960 116.8641 64.1584 31.7186 177.5630 12 R 4.1962 8.7553 117.6655 57.0267 29.0539 178.5042 13 K 4.3311 8.9817 124.7990 59.1048 32.8312 175.1782 14 G 4.4874 7.8884 109.9038 44.3831 0.0000 173.2534 15 R 4.0161 8.3146 119.2071 55.7075 30.7150 175.9816 16 E 4.3327 8.5459 123.5717 54.6916 30.5305 175.4805 17 K 4.1914 8.4374 127.6653 55.7097 32.4525 176.2428 18 V 3.3788 7.7079 119.4126 60.6162 32.0418 171.7761 19 R 3.9021 7.9265 130.2885 55.6508 30.8892 175.9362 20 K 4.6586 8.3024 123.4698 54.5823 35.1590 175.7832 21 K 4.1325 8.3627 120.2582 55.9355 32.7581 177.7560 22 S 4.3131 8.8148 119.1643 58.2068 60.2791 174.6004 23 K 4.1164 7.7477 126.6403 58.3027 32.8947 176.0058 24 V 4.0220 7.5841 118.0442 60.5920 33.2688 173.6322 25 P 4.5770 0.0000 0.0000 61.8341 29.8173 177.3491 26 A 4.3014 7.6518 118.5827 53.0186 18.7907 179.4725 27 L 3.6436 6.9424 121.8005 56.9108 40.9313 173.9710 28 K 4.1472 8.7301 116.3248 61.7028 30.4227 177.2974 29 G 3.6751 8.4406 110.4959 46.4138 0.0000 173.0132 30 A 4.4619 7.5019 124.3583 50.1592 20.5459 176.2539 31 P 4.1296 0.0000 0.0000 65.3540 31.4684 176.3750 32 F 5.0153 7.6678 112.3494 56.1995 43.5958 173.4571 33 R 4.7515 8.9678 119.1857 54.8591 33.5134 174.1285 34 R 4.9338 8.5983 124.8776 54.9097 32.8117 175.0724 35 G 4.2498 8.1593 112.0841 46.1496 0.0000 172.3809 36 V 4.6037 7.4655 122.5631 61.7487 33.8322 174.9876 37 C 4.5682 8.7188 124.1958 60.4958 28.5636 174.2621 38 T 4.1492 9.0121 119.5035 63.9588 67.9415 175.0515 39 V 4.4688 7.5529 119.4432 61.0755 35.6155 174.1977 40 V 4.5183 8.5093 125.9879 61.5185 33.1323 173.6083 41 R 4.8165 8.4149 129.5292 54.6950 33.8718 173.9873 42 T 5.3857 8.2592 112.5886 59.9633 68.8428 174.0402 43 V 4.4502 8.2472 121.7030 60.0369 34.2052 175.4791 44 T 4.6506 8.2432 112.5555 60.6106 70.5344 172.7649 45 P 5.2344 0.0000 0.0000 60.5900 33.1114 176.9429 46 K 4.4334 8.3251 124.3008 55.7992 29.9755 176.9395 47 K 3.6020 8.1779 113.6737 58.4776 32.1891 174.3672 48 P 4.6568 0.0000 0.0000 62.5089 32.2068 174.8149 49 N 4.9329 7.1633 116.3114 52.2804 40.9965 173.5351 50 S 4.5835 7.2616 110.7179 56.8808 65.5207 175.0817 51 A 4.4490 7.6141 125.2584 53.2387 22.9674 177.7288 52 L 4.8702 7.8483 107.8703 53.8365 43.5926 174.9381 53 R 4.2232 9.0362 121.6637 55.8455 31.8683 176.0404 54 K 4.3889 8.8777 123.6980 56.6371 33.2258 176.2522 55 V 4.9557 9.0440 124.1412 61.3097 36.1560 173.7788 56 A 5.1184 8.9012 124.3250 50.2695 22.8007 175.5257 57 K 4.7539 8.9405 123.0921 56.0931 33.4877 176.1600 58 V 4.5563 9.2441 127.1859 61.1934 33.7582 174.9125 59 R 4.7694 9.2916 129.4792 55.0665 30.0348 176.0149 60 L 4.5039 8.0262 127.2304 54.3552 42.3487 177.7204 61 T 4.0472 7.9800 109.1705 64.5913 68.9536 174.9372 62 S 4.7041 8.0738 118.7282 59.0288 63.3813 174.8792 63 G 3.9655 8.3741 105.7329 46.6487 0.0000 173.6943 64 Y 4.2849 8.2725 117.3943 57.7373 39.6118 174.3471 65 E 4.9464 8.6510 120.8459 54.9567 32.4718 174.7740 66 V 4.7531 8.6542 119.6083 59.5343 36.1526 174.8779 67 T 4.8125 8.5547 113.3000 61.4060 70.5395 173.2713 68 A 5.2238 9.6373 127.1637 50.3342 22.5907 175.0256 69 Y 4.7600 8.8896 123.1100 57.5368 40.7646 174.7485 70 I 4.4020 5.6739 121.5942 58.3624 39.4555 173.5899 71 P 4.0706 0.0000 0.0000 62.3935 31.6159 176.7004 72 G 4.0965 8.7809 109.4699 45.5816 0.0000 172.4130 73 E 4.1960 8.6472 117.7192 55.9931 30.0903 173.1984 74 G 4.0961 8.9281 120.5531 45.4025 0.0000 171.7767 75 H 5.0798 8.1527 122.2827 55.3550 29.3877 173.9513 76 N 4.4547 8.1747 109.6133 52.2958 37.7849 174.1856 77 L 4.5477 7.7989 118.9282 54.2419 43.6183 175.9467 78 Q 4.6970 8.5452 121.9055 53.4188 32.0640 175.7191 79 E 4.0140 8.7454 118.6953 59.5590 29.4261 176.8836 80 H 5.1973 7.6227 113.6637 55.1841 31.0703 173.1816 81 S 4.4538 8.3634 116.1651 57.7341 63.5730 174.2733 82 V 4.0454 8.5794 125.3614 63.3578 32.6055 174.7974 83 V 4.6538 8.7748 125.7875 61.4758 35.8696 172.8416 84 L 5.2008 8.5021 127.3366 53.4054 44.4691 175.0001 85 I 4.4563 9.4026 129.3666 61.3059 37.9779 176.4754 86 R 4.3613 10.6400 128.8760 59.4630 30.3291 177.5934 87 G 3.9236 10.1227 112.9370 46.4190 0.0000 172.1144 88 G 3.9218 7.8280 107.9898 43.9443 0.0000 172.4687 89 R 4.1032 8.3837 121.6976 56.2333 30.1092 176.3218 90 V 4.0904 7.8241 116.7239 61.2888 32.5079 176.4019 91 K 4.2071 8.4029 135.0000 55.3097 31.2121 175.9502 92 D 4.5722 7.1584 120.5476 54.3639 45.2475 176.2974 93 L 4.8354 7.7142 120.8524 51.0893 41.3120 171.1658 94 P 4.3211 0.0000 0.0000 66.1772 31.3621 174.6291 95 G 3.8384 9.0182 115.5888 45.9184 0.0000 173.6565 96 V 4.0963 7.8110 120.8986 62.2544 31.3459 175.5477 97 R 4.6047 8.6395 122.9766 55.7116 33.1147 174.1094 98 Y 4.9395 7.8556 116.5792 56.6862 42.3369 173.7620 99 H 5.1309 9.0626 119.8502 54.3894 31.5621 174.0743 100 I 4.3029 8.5363 123.6429 60.8062 37.8870 175.9199 101 V 3.7790 8.8875 128.3131 62.5459 31.8669 175.7560 102 R 4.0499 8.4898 127.6897 57.0871 30.7217 177.1082 103 G 3.9755 9.3837 110.9123 44.1259 0.0000 172.7474 104 V 3.9824 6.8269 117.5835 61.5969 34.2603 176.4094 105 Y 3.7993 8.2366 124.2783 58.0588 36.4139 171.0338 106 D 4.3141 8.0347 123.7206 56.3230 41.3337 176.1943 107 A 4.6474 9.5384 123.6519 50.0222 19.9016 177.2948 108 A 4.2706 8.9148 126.7199 52.2815 19.8017 176.6155 109 G 4.5738 8.0826 107.4891 45.7432 0.0000 173.7130 110 V 4.3200 8.1047 124.7169 60.9824 32.4435 177.3761 111 K 3.9838 8.6489 129.8698 57.7589 33.1669 177.0247 112 D 4.4461 8.9111 123.0590 54.7617 38.9516 174.2058 113 R 4.2392 7.5294 118.8713 56.3092 30.7210 175.7328 114 K 4.7545 8.1203 117.3492 57.3776 38.7799 178.7044 115 K 4.5862 7.4483 120.2609 55.0865 31.1230 179.9769 116 S 4.2118 8.7587 126.4028 59.7486 62.8142 173.7956 117 R 4.7038 8.3791 121.8686 54.2850 31.5838 176.7359 118 S 4.0645 7.6215 112.6468 60.9630 62.5630 173.4603 119 K 3.9730 7.8265 117.5831 58.6997 32.5575 177.5976 120 Y 3.6157 8.3508 119.3950 58.0221 35.9554 170.2885 121 G 3.9400 7.7947 103.6417 46.0530 0.0000 171.6653 122 T 4.8477 8.2083 118.3650 61.5167 71.8476 174.7806 123 K 4.0683 8.5984 126.0499 55.7473 32.7646 176.7948 124 K 3.8861 8.5995 123.9376 56.2986 32.4275 174.5904 125 P 4.7396 0.0000 0.0000 61.0629 33.1682 175.1669 126 K 4.2801 8.1925 120.1734 56.2027 33.1170 176.5542 127 E 4.0675 8.7610 121.7906 57.4480 30.0825 174.9109 128 A 3.3488 7.6901 123.8075 51.9704 15.0086 177.0491 *129 A 4.1172 8.0797 122.4174 52.2821 18.9464 177.0327 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 5 P 0.00 4.38 0.00 2.19 2.17 0.00 3.78 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 1.88 1.96 0.00 6 T 8.26 3.74 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 7 I 8.60 3.63 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 1.52 0.90 0.91 0.00 0.00 8 N 8.19 4.23 0.00 2.71 2.86 0.00 0.00 6.93 7.08 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 9 Q 9.28 3.86 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.41 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 10 L 8.24 3.88 0.00 1.89 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.70 3.61 2.28 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 0.83 0.00 0.00 0.95 0.00 0.00 12 R 8.76 4.20 0.00 1.91 1.36 0.00 3.25 0.00 0.00 3.22 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 13 K 8.98 4.33 0.00 1.73 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.56 7.81 14 G 7.89 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.02 0.00 1.81 1.88 0.00 3.36 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.55 4.33 0.00 1.92 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 2.24 2.28 0.00 17 K 8.44 4.19 0.00 1.75 1.68 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.40 7.81 18 V 7.71 3.38 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 7.93 3.90 0.00 1.94 1.97 0.00 3.19 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 20 K 8.30 4.66 0.00 1.86 1.74 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.35 7.81 21 K 8.36 4.13 0.00 1.74 1.79 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.48 7.81 22 S 8.81 4.31 0.00 3.84 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 23 K 7.75 4.12 0.00 1.71 1.73 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.44 7.81 24 V 7.58 4.02 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 0.81 0.00 0.00 0.56 0.00 0.00 25 P 0.00 4.58 0.00 2.20 2.23 0.00 3.86 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 2.16 2.04 0.00 26 A 7.65 4.30 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 27 L 6.94 3.64 0.00 1.82 1.76 0.97 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.73 4.15 0.00 1.77 1.75 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.51 7.81 29 G 8.44 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 30 A 7.50 4.46 1.32 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 0.00 0.00 0.00 31 P 0.00 4.13 0.00 2.26 2.15 0.00 3.70 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 2.11 2.13 0.00 32 F 7.67 5.02 0.00 2.90 3.13 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 0.00 0.00 0.00 0.00 33 R 8.97 4.75 0.00 1.91 1.70 0.00 3.31 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 34 R 8.60 4.93 0.00 2.06 1.78 0.00 2.71 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 35 G 8.16 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 0.00 0.00 0.00 0.00 36 V 7.47 4.60 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 0.99 0.00 0.00 0.91 0.00 0.00 37 C 8.72 4.57 0.00 3.07 2.82 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 0.00 0.00 0.00 38 T 9.01 4.15 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 1.37 0.00 0.00 39 V 7.55 4.47 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 0.93 0.00 0.00 0.92 0.00 0.00 40 V 8.51 4.52 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 0.94 0.00 0.00 0.93 0.00 0.00 41 R 8.41 4.82 0.00 1.91 1.79 0.00 3.11 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 42 T 8.26 5.39 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 1.23 0.00 0.00 43 V 8.25 4.45 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 0.78 0.00 0.00 0.97 0.00 0.00 44 T 8.24 4.65 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 45 P 0.00 5.23 0.00 1.95 2.14 0.00 3.71 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 46 K 8.33 4.43 0.00 1.83 1.31 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.40 7.81 47 K 8.18 3.60 0.00 1.74 1.71 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 48 P 0.00 4.66 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 49 N 7.16 4.93 0.00 2.88 2.78 0.00 0.00 6.64 7.45 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 50 S 7.26 4.58 0.00 3.78 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 51 A 7.61 4.45 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 52 L 7.85 4.87 0.00 1.51 1.59 0.94 0.86 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 53 R 9.04 4.22 0.00 2.03 2.11 0.00 3.22 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.78 0.00 54 K 8.88 4.39 0.00 1.59 1.57 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.36 7.81 55 V 9.04 4.96 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 1.15 0.00 0.00 1.10 0.00 0.00 56 A 8.90 5.12 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.94 4.75 0.00 1.76 1.77 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.41 7.81 58 V 9.24 4.56 2.04 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 0.97 0.00 0.00 0.94 0.00 0.00 59 R 9.29 4.77 0.00 1.93 1.95 0.00 3.20 0.00 0.00 3.42 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 60 L 8.03 4.50 0.00 1.73 1.67 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.98 4.05 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 1.25 0.00 0.00 62 S 8.07 4.70 0.00 4.21 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 0.00 63 G 8.37 3.97 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 0.00 0.00 0.00 64 Y 8.27 4.28 0.00 2.87 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 65 E 8.65 4.95 0.00 1.92 1.79 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 2.19 2.33 0.00 66 V 8.65 4.75 1.87 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 0.39 0.00 0.00 0.60 0.00 0.00 67 T 8.55 4.81 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 1.26 0.00 0.00 68 A 9.64 5.22 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 69 Y 8.89 4.76 0.00 2.93 2.55 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 70 I 5.67 4.40 1.56 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 1.12 0.71 0.84 0.00 0.00 71 P 0.00 4.07 0.00 1.59 1.47 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.08 0.00 72 G 8.78 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.65 4.20 0.00 1.98 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 0.00 2.31 2.32 0.00 74 G 8.93 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.15 5.08 0.00 3.18 3.09 0.00 5.57 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.17 4.45 0.00 2.77 2.86 0.00 0.00 5.77 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 77 L 7.80 4.55 0.00 1.53 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.55 4.70 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 79 E 8.75 4.01 0.00 1.90 1.96 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 2.12 2.36 0.00 80 H 7.62 5.20 0.00 2.98 3.22 0.00 5.99 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.36 4.45 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 82 V 8.58 4.05 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 0.63 0.00 0.00 0.86 0.00 0.00 83 V 8.77 4.65 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 0.88 0.00 0.00 0.97 0.00 0.00 84 L 8.50 5.20 0.00 1.53 1.26 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.40 4.46 2.09 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 1.07 0.52 1.01 0.00 0.00 86 R 10.64 4.36 0.00 2.16 2.26 0.00 3.27 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 87 G 10.12 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 0.00 0.00 0.00 88 G 7.83 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 0.00 0.00 0.00 89 R 8.38 4.10 0.00 1.86 1.90 0.00 2.96 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 90 V 7.82 4.09 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 0.71 0.00 0.00 0.69 0.00 0.00 91 K 8.40 4.21 0.00 1.70 1.74 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.51 7.81 92 D 7.16 4.57 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.84 0.00 1.52 1.53 0.89 0.93 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 94 P 0.00 4.32 0.00 2.03 2.07 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 95 G 9.02 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 0.00 0.00 0.00 96 V 7.81 4.10 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 1.24 0.00 0.00 0.97 0.00 0.00 97 R 8.64 4.60 0.00 1.44 1.41 0.00 3.04 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.84 0.00 98 Y 7.86 4.94 0.00 2.92 2.82 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 0.00 0.00 0.00 99 H 9.06 5.13 0.00 3.21 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.54 4.30 1.90 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 1.14 0.62 0.90 0.00 0.00 101 V 8.89 3.78 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 0.49 0.00 0.00 0.91 0.00 0.00 102 R 8.49 4.05 0.00 1.79 1.87 0.00 3.33 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 103 G 9.38 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 0.00 104 V 6.83 3.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 0.61 0.00 0.00 105 Y 8.24 3.80 0.00 3.38 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 0.00 106 D 8.03 4.31 0.00 2.88 2.75 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 0.00 107 A 9.54 4.65 1.31 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 0.00 0.00 0.00 108 A 8.91 4.27 1.31 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 0.00 0.00 0.00 109 G 8.08 4.57 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 0.00 110 V 8.10 4.32 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 0.83 0.00 0.00 1.15 0.00 0.00 111 K 8.65 3.98 0.00 1.89 1.67 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.49 7.81 112 D 8.91 4.45 0.00 2.87 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 0.00 113 R 7.53 4.24 0.00 1.76 1.99 0.00 3.12 0.00 0.00 3.01 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 114 K 8.12 4.75 0.00 1.70 1.74 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.44 7.81 115 K 7.45 4.59 0.00 1.64 0.99 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.32 7.81 116 S 8.76 4.21 0.00 4.01 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 0.00 117 R 8.38 4.70 0.00 1.85 2.14 0.00 3.40 0.00 0.00 3.48 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 118 S 7.62 4.06 0.00 3.87 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 0.00 119 K 7.83 3.97 0.00 2.31 1.77 0.00 1.89 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.59 7.81 120 Y 8.35 3.62 0.00 3.07 3.25 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 0.00 121 G 7.79 3.94 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 0.00 0.00 0.00 122 T 8.21 4.85 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 1.26 0.00 0.00 123 K 8.60 4.07 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.60 3.89 0.00 1.69 1.73 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 125 P 0.00 4.74 0.00 2.20 2.01 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 1.92 1.92 0.00 126 K 8.19 4.28 0.00 1.72 1.74 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.61 7.81 127 E 8.76 4.07 0.00 1.99 1.97 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 2.26 2.23 0.00 128 A 7.69 3.35 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 *129 A 8.08 4.12 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 * Residues marked with a * may have inaccurate shift predictions.