NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4012 8.4449 118.8119 55.6858 31.7440 176.0036 3 R 4.4091 7.7782 116.6074 55.0119 31.8399 175.5723 4 Y 4.0592 8.3965 118.8446 60.4309 39.6435 177.3399 5 R 3.9691 7.9278 118.5956 59.3868 30.6632 177.6967 6 R 4.1815 8.1186 118.1725 59.3857 29.9031 179.0544 7 G 3.9299 8.1367 103.9882 45.0284 0.0000 175.1324 *9 E 4.0564 8.1490 121.5272 55.8912 31.7044 177.2983 10 I 3.6098 7.8105 119.3735 64.7909 36.9934 177.9459 11 L 3.6998 7.7737 119.8061 58.2739 41.8651 178.4207 12 N 3.9669 7.3795 115.6060 55.7483 38.7272 175.4907 13 R 4.4521 7.2740 117.9991 55.5940 32.2715 176.4636 *15 N 4.4131 8.1006 120.7078 53.6149 39.0045 174.8466 16 R 4.0059 8.3077 126.6488 61.0405 29.3174 177.3671 17 K 4.1762 7.9351 117.1137 59.9949 32.3086 179.4649 18 S 4.1304 8.0751 114.8100 61.6665 62.4330 176.0072 19 Y 3.9305 7.9075 121.8672 60.9716 39.0550 177.9231 20 T 3.7180 8.1939 110.4318 64.5126 68.9327 175.9684 21 A 3.9566 8.2912 124.0301 55.3593 18.4862 179.7512 22 I 3.7330 7.4851 117.5682 64.2020 36.8885 178.1229 23 R 4.2458 7.2857 115.3435 56.6576 29.7875 176.3226 24 D 5.0088 7.5563 118.9461 53.3984 41.8247 176.8085 25 E 4.7577 8.0296 112.3822 57.0767 33.3523 176.3632 26 L 3.9499 7.9532 123.0268 57.1589 42.5700 177.8790 27 E 4.2724 7.9446 115.0487 57.5676 30.0157 176.1283 28 D 4.4272 7.3997 119.3382 56.2135 41.9939 176.1366 29 V 3.7877 7.5695 120.8123 60.7120 32.8902 175.9667 30 A 3.9992 8.4898 124.5006 51.6715 19.0316 176.9229 31 P 4.5974 0.0000 0.0000 64.2126 31.0345 178.3298 32 D 3.8846 7.7729 119.6180 57.3332 40.7297 178.2728 33 L 4.0999 7.7821 119.9649 58.0188 42.4381 178.5168 34 A 4.2210 8.0151 119.9891 54.6243 18.0710 179.3249 35 R 4.4155 7.7237 117.4463 59.4563 30.3230 178.5029 36 F 4.2916 8.0565 117.9387 60.4578 38.9503 178.1473 37 V 3.8249 8.2557 118.7946 64.8272 31.4072 178.3454 38 A 4.0272 7.7582 120.5250 55.1281 18.0397 179.0911 39 E 4.0757 9.1567 117.0872 59.5016 30.0141 179.1515 40 F 4.3862 9.0807 120.2416 61.4937 39.4244 177.4308 41 A 3.8355 8.1288 119.9171 55.3031 18.0544 179.0121 42 Y 3.9516 8.1256 114.2702 60.7239 38.1185 178.0546 43 G 3.7368 7.9999 103.2849 45.9293 0.0000 173.5652 44 D 4.9021 7.6530 117.3489 53.5851 43.4716 176.3893 45 V 4.0984 7.5917 117.0162 64.4707 33.4927 176.9464 46 Y 3.9295 7.8204 115.5306 60.2650 37.7790 176.7724 47 S 4.4489 7.5299 112.4288 58.9212 63.6375 174.5415 48 R 4.2596 7.4805 120.5350 55.4349 30.7953 176.2521 49 G 4.0474 8.2506 109.2111 44.2498 0.0000 171.5107 50 V 4.5035 8.2012 123.0252 62.7777 38.1777 173.6552 51 L 4.7252 7.6438 120.3948 52.9509 44.5602 177.0828 52 D 4.6278 8.2672 123.7283 54.8339 41.9023 176.8901 53 L 4.1844 8.3973 119.9706 58.9186 41.7820 179.4556 54 K 3.9640 7.9761 118.1498 59.8944 32.2031 179.2793 55 T 3.7858 7.8228 115.3743 66.3654 68.3355 176.9896 56 R 3.7432 7.6668 119.6467 59.3329 29.9774 178.8510 57 E 4.1934 8.4202 117.9071 58.7016 29.2826 179.1805 58 L 4.2477 7.3263 118.9968 57.1997 42.0983 178.9638 59 L 4.0244 7.8009 118.7040 57.8394 41.4789 179.7263 60 T 3.8330 7.8897 115.9554 66.5902 68.1702 176.7042 61 L 4.0136 7.3921 118.2084 57.7206 41.6280 179.2446 62 A 4.1058 7.8030 120.3895 54.8605 17.8945 179.3850 63 A 3.9598 7.9171 119.3474 55.5337 18.3585 179.8531 64 L 4.0965 7.9814 116.6250 57.4567 41.5280 179.8081 65 T 3.9063 7.6188 116.3729 66.4809 68.1328 176.8928 66 V 3.6077 7.6423 119.2848 65.8717 31.7315 176.6516 67 L 4.1871 7.5983 116.2606 54.9129 41.6016 176.9369 68 R 3.8019 7.5181 116.2136 56.9291 28.8609 178.1172 69 A 4.3765 7.4145 120.5072 50.8790 15.3036 177.9313 70 D 4.3671 8.1245 124.6260 56.9933 41.2592 178.3113 71 D 4.3445 8.0288 118.5270 57.6829 40.8858 178.7858 72 Q 4.1274 8.0572 117.3819 58.2356 28.8371 178.3096 73 L 4.0572 7.7524 121.8176 57.9273 42.2446 178.9515 74 K 4.0531 8.0312 118.2674 59.5130 31.9911 179.5995 75 S 4.1878 7.9625 115.6944 61.6948 62.7202 176.0853 76 H 4.4769 8.0995 118.3788 57.6391 28.5327 178.0078 77 V 3.6296 7.7143 120.2683 66.1015 31.4190 178.0951 78 R 4.0934 7.9753 117.4994 59.2996 29.6807 179.2178 79 G 3.7814 8.0828 105.4621 47.2204 0.0000 175.3131 80 A 4.2281 8.5932 123.5042 54.8824 18.2111 179.6440 81 L 4.2571 8.2861 119.2792 57.5901 41.4616 179.5758 82 N 4.3480 8.0828 115.2608 56.2139 38.5021 177.0431 83 A 4.2251 7.6347 121.2295 53.9752 18.5230 177.3183 84 G 3.5961 7.6186 111.5265 45.9372 0.0000 173.7663 85 C 4.0156 7.8641 118.2722 60.3579 28.8687 173.2943 86 S 4.7583 9.0560 118.5946 57.1600 65.6568 175.6526 87 K 3.9324 8.6267 125.1704 60.5048 31.6478 179.9853 88 D 4.4442 7.9946 120.9607 58.4062 39.7590 182.0377 89 E 4.2116 8.2247 120.3521 59.1519 29.2227 179.4660 90 I 3.7466 7.8406 118.9374 64.7392 37.3774 178.4140 91 I 3.8567 7.7776 118.8741 64.0038 37.1307 177.8953 92 E 4.1153 8.1733 120.4641 59.2355 29.3444 181.0829 93 V 3.7316 7.2061 111.5080 61.5097 32.4028 177.6401 *95 I 4.0843 7.7305 120.4666 61.5144 39.2379 178.3019 96 Q 4.1458 7.8255 123.1947 55.5307 27.9106 177.4548 *98 A 4.6127 7.8343 120.6279 52.0214 20.9185 179.6230 99 V 3.6885 7.5441 114.6843 65.4821 31.8748 176.7186 100 Y 4.2817 7.9162 115.3064 59.3382 38.3379 176.0000 101 A 4.5109 7.9505 119.6718 51.1259 20.9645 176.6459 102 G 4.2247 7.5978 102.2510 44.6150 0.0000 175.1230 103 F 3.9537 9.1726 118.3793 59.9372 38.9173 176.3950 104 P 4.3172 0.0000 0.0000 65.0627 31.1353 178.6055 105 A 3.9402 7.9700 119.2089 55.0410 18.4921 179.0639 106 A 3.8280 7.9279 118.6837 55.4827 18.4143 179.4296 107 I 3.5783 7.7584 118.0373 64.7358 37.1993 177.8906 108 N 4.2040 8.2121 117.2800 56.9902 38.7180 176.6748 109 A 4.0233 8.0127 121.8299 54.7579 18.4398 179.8889 110 V 3.4241 7.7909 117.0540 66.2141 31.4447 178.3883 111 L 4.0202 7.8934 117.1564 57.1646 41.6705 179.2536 112 A 4.0465 7.6566 120.5999 55.1696 18.4692 179.5294 113 A 3.6875 8.2304 119.6405 54.9683 18.0667 179.6531 114 K 3.6426 7.5300 117.4416 59.4701 32.4926 178.7356 115 E 4.1165 7.9281 119.0996 59.4451 29.2873 179.7327 116 V 3.7586 7.6467 117.0253 64.7151 31.5560 177.8298 117 F 4.6552 8.3649 117.4221 59.3090 39.3124 175.5297 118 T 4.7005 7.8797 115.3354 63.4509 69.3008 174.9997 119 E 4.5841 7.9480 118.2117 54.1342 29.4293 176.5089 120 N 4.3577 8.1572 119.3378 53.5476 38.3934 175.2161 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 E 8.44 4.40 0.00 2.13 2.20 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 2.23 2.33 0.00 3 R 7.78 4.41 0.00 2.03 2.01 0.00 3.23 0.00 0.00 3.42 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 4 Y 8.40 4.06 0.00 2.95 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 5 R 7.93 3.97 0.00 1.91 1.96 0.00 3.32 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 6 R 8.12 4.18 0.00 1.97 1.94 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 7 G 8.14 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 *9 E 8.15 4.06 0.00 2.18 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 2.21 2.26 0.00 10 I 7.81 3.61 2.01 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 1.65 1.20 0.99 0.00 0.00 11 L 7.77 3.70 0.00 0.93 1.51 0.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.38 3.97 0.00 1.56 2.51 0.00 0.00 7.24 8.99 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 13 R 7.27 4.45 0.00 1.91 1.87 0.00 3.19 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 *15 N 8.10 4.41 0.00 2.77 2.72 0.00 0.00 7.17 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 16 R 8.31 4.01 0.00 1.85 1.95 0.00 3.30 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 17 K 7.94 4.18 0.00 1.80 1.88 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.54 7.81 18 S 8.08 4.13 0.00 3.92 3.86 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 0.00 0.00 0.00 19 Y 7.91 3.93 0.00 2.87 3.08 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 20 T 8.19 3.72 4.21 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 1.35 0.00 0.00 21 A 8.29 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.73 1.85 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 1.50 1.13 0.85 0.00 0.00 23 R 7.29 4.25 0.00 1.77 1.85 0.00 2.99 0.00 0.00 2.91 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.00 24 D 7.56 5.01 0.00 2.75 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 25 E 8.03 4.76 0.00 2.14 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 0.00 2.20 2.34 0.00 26 L 7.95 3.95 0.00 1.88 1.66 0.97 0.83 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 27 E 7.94 4.27 0.00 2.07 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 0.00 2.19 2.31 0.00 28 D 7.40 4.43 0.00 2.65 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 29 V 7.57 3.79 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 0.84 0.00 0.00 0.95 0.00 0.00 30 A 8.49 4.00 1.28 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 0.00 0.00 31 P 0.00 4.60 0.00 2.08 2.21 0.00 3.80 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 1.94 1.82 0.00 32 D 7.77 3.88 0.00 2.70 2.54 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 33 L 7.78 4.10 0.00 1.83 1.69 1.10 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.02 4.22 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 35 R 7.72 4.42 0.00 1.94 1.72 0.00 3.02 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 36 F 8.06 4.29 0.00 3.19 3.07 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 37 V 8.26 3.82 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 0.93 0.00 0.00 1.20 0.00 0.00 38 A 7.76 4.03 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 39 E 9.16 4.08 0.00 2.21 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 0.00 2.53 2.66 0.00 40 F 9.08 4.39 0.00 3.19 3.37 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 41 A 8.13 3.84 1.28 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 0.00 0.00 42 Y 8.13 3.95 0.00 3.04 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 43 G 8.00 3.74 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 0.00 0.00 0.00 44 D 7.65 4.90 0.00 2.82 2.39 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 45 V 7.59 4.10 2.18 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 0.86 0.00 0.00 0.50 0.00 0.00 46 Y 7.82 3.93 0.00 3.14 3.07 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 47 S 7.53 4.45 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 48 R 7.48 4.26 0.00 1.90 1.84 0.00 3.27 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 49 G 8.25 4.05 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 0.00 0.00 0.00 50 V 8.20 4.50 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 0.72 0.00 0.00 0.90 0.00 0.00 51 L 7.64 4.73 0.00 1.53 1.45 0.87 0.92 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 52 D 8.27 4.63 0.00 2.68 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 53 L 8.40 4.18 0.00 1.78 1.72 1.10 0.79 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 54 K 7.98 3.96 0.00 1.80 1.85 0.00 1.78 0.00 0.00 2.04 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.48 7.81 55 T 7.82 3.79 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 1.17 0.00 0.00 56 R 7.67 3.74 0.00 1.88 1.60 0.00 2.87 0.00 0.00 2.51 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.60 0.00 57 E 8.42 4.19 0.00 2.03 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 2.49 2.79 0.00 58 L 7.33 4.25 0.00 2.09 1.68 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.80 4.02 0.00 1.65 1.65 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.89 3.83 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 0.93 0.00 0.00 61 L 7.39 4.01 0.00 1.89 1.75 0.99 0.83 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 62 A 7.80 4.11 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 63 A 7.92 3.96 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 64 L 7.98 4.10 0.00 1.73 1.74 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.62 3.91 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 1.23 0.00 0.00 66 V 7.64 3.61 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 0.81 0.00 0.00 0.95 0.00 0.00 67 L 7.60 4.19 0.00 1.71 1.71 0.93 0.96 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 R 7.52 3.80 0.00 1.90 1.98 0.00 3.17 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 69 A 7.41 4.38 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 70 D 8.12 4.37 0.00 2.70 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 71 D 8.03 4.34 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.06 4.13 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 73 L 7.75 4.06 0.00 1.94 1.82 0.91 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.03 4.05 0.00 2.02 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.68 7.81 75 S 7.96 4.19 0.00 3.82 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 76 H 8.10 4.48 0.00 3.30 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.71 3.63 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 1.27 0.00 0.00 0.96 0.00 0.00 78 R 7.98 4.09 0.00 2.07 2.00 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 79 G 8.08 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 0.00 0.00 0.00 80 A 8.59 4.23 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 81 L 8.29 4.26 0.00 1.86 1.75 1.03 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.08 4.35 0.00 2.93 2.90 0.00 0.00 7.03 7.50 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 83 A 7.63 4.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.62 3.60 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 0.00 0.00 0.00 85 C 7.86 4.02 0.00 3.09 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 86 S 9.06 4.76 0.00 4.00 3.96 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 87 K 8.63 3.93 0.00 1.58 1.51 0.00 1.23 0.00 0.00 0.70 0.00 0.00 2.38 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 1.07 7.81 88 D 7.99 4.44 0.00 2.68 2.67 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 89 E 8.22 4.21 0.00 2.20 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 0.00 2.34 2.36 0.00 90 I 7.84 3.75 2.29 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 1.83 0.92 0.98 0.00 0.00 91 I 7.78 3.86 1.96 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.93 0.00 0.00 92 E 8.17 4.12 0.00 2.34 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 0.00 2.32 2.41 0.00 93 V 7.21 3.73 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 0.80 0.00 0.00 1.01 0.00 0.00 *95 I 7.73 4.08 1.96 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 1.24 0.66 0.83 0.00 0.00 96 Q 7.83 4.15 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 *98 A 7.83 4.61 0.82 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 0.00 0.00 99 V 7.54 3.69 1.80 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 0.20 0.00 0.00 0.84 0.00 0.00 100 Y 7.92 4.28 0.00 3.05 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 0.00 101 A 7.95 4.51 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 0.00 102 G 7.60 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 0.00 103 F 9.17 3.95 0.00 3.08 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 0.00 104 P 0.00 4.32 0.00 2.19 2.13 0.00 3.69 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 2.22 0.00 105 A 7.97 3.94 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 0.00 106 A 7.93 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.76 3.58 1.88 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 1.77 0.89 0.92 0.00 0.00 108 N 8.21 4.20 0.00 2.97 2.97 0.00 0.00 7.19 7.60 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 0.00 109 A 8.01 4.02 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 0.00 110 V 7.79 3.42 2.18 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 0.98 0.00 0.00 0.92 0.00 0.00 111 L 7.89 4.02 0.00 1.63 1.69 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.66 4.05 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 0.00 113 A 8.23 3.69 0.89 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 0.00 114 K 7.53 3.64 0.00 1.85 1.98 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 115 E 7.93 4.12 0.00 2.20 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 2.53 2.44 0.00 116 V 7.65 3.76 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 0.86 0.00 0.00 1.04 0.00 0.00 117 F 8.36 4.66 0.00 3.16 3.12 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 0.00 118 T 7.88 4.70 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 1.24 0.00 0.00 119 E 7.95 4.58 0.00 1.97 1.91 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 2.24 2.43 0.00 120 N 8.16 4.36 0.00 2.79 3.05 0.00 0.00 7.07 7.56 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 * Residues marked with a * may have inaccurate shift predictions.