NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2608 8.1844 122.4968 55.1655 43.0743 176.7987 5 T 4.2026 8.1790 120.3588 60.1314 69.7796 171.5879 6 E 4.0573 8.9040 125.5014 60.0546 30.0419 178.9285 7 E 4.0921 8.1528 117.9402 61.0111 29.9358 181.1100 8 Q 4.3774 8.1091 118.0875 59.0846 28.7314 178.8604 9 I 4.0752 7.8649 120.2410 64.5075 37.2092 178.4005 10 A 4.0832 7.9949 121.3689 55.0568 18.0551 179.6326 11 E 3.9697 8.2055 117.4135 59.6547 29.4696 179.4928 12 F 4.4587 8.3934 117.8942 60.4605 38.9535 177.6567 13 K 4.4427 8.8714 119.8167 59.6296 32.0359 178.5857 14 E 4.0225 8.5915 119.4721 59.2345 29.6938 178.4807 15 A 4.1967 8.6326 121.3168 55.2110 18.3525 179.4706 16 F 3.1747 8.8027 119.5128 61.2965 39.2710 177.3282 17 S 4.1400 8.2849 111.5425 61.3118 62.1552 175.5374 18 L 4.0028 7.7636 122.4377 58.0598 41.8455 178.7230 19 F 4.1824 7.3717 116.0143 59.6197 40.5471 176.7974 20 D 4.5197 7.8949 119.7114 52.3593 37.5532 176.2348 21 K 3.8199 7.9556 122.7171 59.2348 32.6475 177.9284 22 D 4.5728 8.2551 114.3692 52.5586 39.7707 176.1694 23 G 4.0353 7.8606 108.1095 47.0132 0.0000 173.8923 24 D 4.6163 8.7151 116.5110 52.7129 39.8175 177.4034 25 G 4.1771 9.3158 108.7454 45.7103 0.0000 173.3878 26 T 5.2073 8.2569 108.3588 60.0449 72.5058 173.3888 27 I 4.6058 8.7812 124.1695 59.9994 39.3103 175.6991 28 T 4.8076 8.7464 118.1400 60.2891 70.9691 176.0531 29 T 3.8572 8.5535 112.2705 64.9205 68.4303 176.5215 30 K 3.9552 7.9842 120.7012 59.4505 32.2163 178.9679 31 E 4.0204 8.2213 118.8237 59.2256 29.2677 179.3871 32 L 4.3258 8.2758 119.3006 57.9048 41.6788 179.7747 33 G 3.6503 8.3744 105.7978 48.1022 0.0000 175.6715 34 T 3.8633 8.0020 118.2199 66.3626 68.3633 176.7990 35 V 3.4843 7.8300 119.8633 66.4034 31.5121 178.0127 36 M 4.1254 8.3428 118.5543 58.4783 31.6854 179.0553 37 R 4.7491 8.6914 120.3021 58.6747 30.0291 179.0928 38 S 4.1868 8.0448 112.9628 60.3014 62.9142 175.4306 39 L 4.5349 7.2315 121.5863 54.1067 41.9621 177.1632 40 G 3.8368 7.9420 106.0716 45.9480 0.0000 174.1713 41 Q 4.5354 8.1169 119.4599 54.6565 30.7601 174.8449 42 N 5.3559 8.0467 116.4940 51.3469 38.9552 171.8478 43 P 4.6183 0.0000 0.0000 62.4271 32.8047 177.9469 44 T 4.3749 8.9147 112.5421 60.7161 71.3738 175.8093 45 E 3.9736 8.5955 119.0200 59.4616 29.4197 179.0019 46 A 3.9722 8.2082 121.7633 55.0067 18.4662 179.4382 47 E 3.9364 8.1518 117.0777 59.4895 29.5056 179.6521 48 L 4.0001 7.9848 118.9706 57.9291 41.6775 179.5360 49 Q 4.0091 8.4107 118.3155 59.1467 28.6503 178.6451 50 D 4.4033 8.5139 120.2422 57.5351 40.5845 178.8429 51 M 4.0104 7.8447 118.2274 58.4577 32.2780 178.5596 52 I 3.8436 7.6901 119.7935 64.5983 37.1891 178.1738 53 N 4.3014 8.5418 117.6390 56.5369 38.1135 177.1758 54 E 4.0550 8.0398 118.9650 58.5326 29.5674 178.1576 55 V 4.3468 7.5492 108.6395 60.9028 33.4936 176.2501 56 D 4.7263 7.6744 122.4946 52.1921 39.4674 176.0208 57 A 3.9767 8.2064 125.8538 54.8592 18.7352 178.6632 58 D 4.5605 7.9649 110.5403 52.7008 39.9336 176.7305 59 G 3.9703 7.9818 107.8418 46.8800 0.0000 174.0071 60 N 4.5905 8.4876 114.5331 52.2923 37.4840 176.1928 61 G 4.0091 8.8498 108.5036 45.5952 0.0000 173.2083 62 T 4.7832 7.7519 107.9850 59.8900 72.5065 173.2258 63 I 4.7242 8.6001 123.1516 60.1764 39.1196 175.9281 64 D 4.9588 9.1160 127.7759 52.2509 42.3115 176.9377 65 F 3.5328 8.8777 118.9176 61.2659 39.2591 175.3630 66 P 4.2694 0.0000 0.0000 65.6416 31.0670 178.5041 67 E 3.9750 8.6097 117.5384 59.1494 29.2367 179.1127 68 F 4.1119 8.4615 120.9555 61.3143 39.3985 177.1868 69 L 3.4444 7.6785 118.5250 57.7809 41.2083 179.7308 70 T 3.6966 7.7483 115.6454 66.6608 68.4102 176.0111 71 M 3.8350 8.0448 120.4789 59.2925 32.1361 178.2357 72 M 3.9065 7.7845 118.3813 58.2825 31.8509 178.7205 73 A 4.0262 7.8884 120.2490 55.1153 18.5620 179.6312 74 R 4.0034 7.9974 116.2877 59.2148 30.1800 179.0117 75 K 4.2279 7.8403 117.6879 58.7970 33.1993 178.4581 76 M 4.2481 7.4725 120.0151 53.3462 30.1617 175.6142 *81 S 4.2752 7.3143 116.7545 57.8391 65.1205 175.9821 82 E 3.9067 8.5344 122.1925 59.4644 29.8162 179.1044 83 E 3.9869 7.8215 119.1977 59.4120 29.7070 178.6478 84 E 4.0851 8.1688 118.1972 59.4053 29.4924 179.4516 85 I 4.0231 7.8375 119.4996 64.4619 37.3636 178.4123 86 R 4.1120 8.6688 119.4312 59.3457 29.6530 179.0054 87 E 4.0049 8.2505 117.0017 59.5079 29.9000 178.9738 88 A 4.2897 8.3245 120.8086 55.1285 18.3593 179.3980 89 F 3.2547 8.9606 119.7132 61.3215 39.2468 177.3742 90 R 3.9009 7.9616 115.6826 58.0979 29.9408 178.6256 91 V 3.5393 7.2715 117.7317 65.5515 31.4929 177.2209 92 F 4.3575 7.5479 115.6736 58.6654 40.9393 176.6762 93 D 4.6024 7.6475 119.9386 52.4357 37.7283 176.5164 94 K 3.8734 7.8404 122.5541 59.1547 32.7030 178.0830 95 D 4.4752 8.3693 115.2281 53.0299 39.6052 176.5839 96 G 3.9832 7.8564 107.7027 46.7302 0.0000 174.2923 97 N 4.5447 8.6883 115.2344 53.1782 37.3305 175.9654 98 G 4.0608 9.9726 108.7478 45.3496 0.0000 172.3079 99 Y 5.1166 7.9045 115.8131 56.1798 42.0100 174.8755 100 I 4.4350 9.2658 126.0719 60.5304 38.5495 175.9841 101 S 4.8229 9.1370 122.4176 57.0782 65.0651 175.3305 102 A 3.9358 8.7594 121.5130 55.4193 17.9125 179.6689 103 A 3.8287 7.9379 118.5670 55.3152 18.4732 179.5271 104 E 3.8054 8.2568 117.0533 59.4486 29.5409 179.3226 105 L 4.1477 8.1258 120.4958 58.2406 42.1031 178.9891 106 R 3.9138 8.2266 118.7749 59.6367 29.9850 178.1000 107 H 4.2176 8.4310 116.3796 58.9620 28.8285 177.8752 108 V 3.5141 7.8699 119.8099 66.3934 31.2872 177.9970 109 M 4.1339 8.2932 118.4207 58.7333 31.7418 178.9513 110 T 3.9764 8.2015 116.1099 66.5253 68.3897 176.2410 111 N 4.4408 8.0383 117.9257 55.7878 39.0339 175.9370 112 L 4.3502 7.4134 118.0488 54.3079 41.8743 177.3721 113 G 3.8029 7.7526 107.0469 45.6790 0.0000 173.2831 114 E 4.4628 8.3093 122.0921 54.6484 30.3802 176.6302 115 K 4.3131 8.5211 126.2371 53.9027 32.6633 172.8149 116 L 5.1395 8.1990 123.0650 51.8256 45.0997 177.0979 117 T 4.2739 9.2117 113.1239 61.3116 71.1162 175.6159 118 D 4.4190 8.7661 122.3957 58.0420 40.7104 179.3690 119 E 3.9936 8.1030 118.4045 59.2611 29.5683 178.9270 120 E 3.9499 8.1543 118.7703 59.3346 29.5182 179.6558 121 V 3.5779 7.7808 118.2250 66.1361 31.6297 177.7879 122 D 4.3637 8.2640 118.7861 57.4244 40.5469 178.4689 123 E 3.9411 8.4875 120.0063 59.4524 29.7357 178.8618 124 M 4.0629 8.0095 118.8660 58.3723 31.9832 178.7301 125 I 3.7627 7.8843 120.0105 64.3716 37.0500 178.2651 126 R 3.8904 7.9056 118.5139 59.3764 29.8798 177.1232 127 E 3.9710 7.8345 117.9996 58.8339 29.6560 177.3838 128 A 4.3330 7.2862 117.8075 52.4869 19.8754 176.3829 129 D 4.4911 8.3189 116.5406 54.2912 41.2506 175.7968 130 I 4.0766 8.6417 128.1543 63.8431 37.7192 177.1875 131 D 4.4041 8.6456 117.6595 54.0301 39.5553 177.1428 132 G 3.9025 8.2260 107.8903 46.2433 0.0000 174.1718 133 D 4.3924 8.3365 118.0866 53.7600 39.5582 177.4206 134 G 3.9388 9.0113 108.8870 45.5467 0.0000 172.5938 135 Q 4.8417 8.5704 117.3506 53.9541 33.4108 174.8034 136 V 4.7231 8.6810 120.1632 61.4440 33.8172 175.0793 137 N 4.9966 9.5479 126.8424 51.2949 39.5696 175.8255 138 Y 3.1695 8.3923 120.8868 61.2140 38.7348 178.0067 139 E 3.7793 8.0809 118.6682 61.2361 29.6748 180.6240 140 E 4.1449 8.9215 120.0319 59.2212 29.4792 179.2968 141 F 4.0659 8.2485 120.7830 61.0511 39.4319 177.4343 142 V 3.2652 7.7684 118.2704 66.0518 31.1218 177.9202 143 Q 3.9497 8.0644 116.7558 59.1107 28.5603 178.5456 144 M 4.0390 7.7984 118.2769 59.0436 32.4151 178.0138 145 M 4.0815 7.6851 119.8959 58.8433 32.1608 177.7853 146 T 4.2044 8.0361 118.7240 63.1492 68.8664 176.8226 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 4 L 8.18 4.26 0.00 1.65 1.70 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.18 4.20 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 6 E 8.90 4.06 0.00 2.09 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 0.00 2.40 2.40 0.00 7 E 8.15 4.09 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 2.31 1.96 0.00 8 Q 8.11 4.38 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 9 I 7.86 4.08 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.96 0.99 0.00 0.00 10 A 7.99 4.08 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 11 E 8.21 3.97 0.00 1.98 1.89 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 2.30 2.63 0.00 12 F 8.39 4.46 0.00 3.60 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 13 K 8.87 4.44 0.00 2.17 2.12 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.43 7.81 14 E 8.59 4.02 0.00 2.21 2.24 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 2.35 2.43 0.00 15 A 8.63 4.20 1.78 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 16 F 8.80 3.17 0.00 2.88 3.28 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 17 S 8.28 4.14 0.00 4.10 4.13 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 18 L 7.76 4.00 0.00 1.63 1.78 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.37 4.18 0.00 2.91 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 20 D 7.89 4.52 0.00 2.22 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.82 0.00 1.77 1.86 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.37 7.81 22 D 8.26 4.57 0.00 2.81 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 G 7.86 4.04 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 0.00 0.00 0.00 24 D 8.72 4.62 0.00 2.84 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 25 G 9.32 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 0.00 0.00 0.00 26 T 8.26 5.21 4.39 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 1.30 0.00 0.00 27 I 8.78 4.61 1.74 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.34 0.80 0.00 0.00 28 T 8.75 4.81 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 29 T 8.55 3.86 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 30 K 7.98 3.96 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.54 7.81 31 E 8.22 4.02 0.00 2.17 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 2.33 2.35 0.00 32 L 8.28 4.33 0.00 1.91 1.77 0.90 0.55 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 33 G 8.37 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.00 3.86 4.43 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 1.19 0.00 0.00 35 V 7.83 3.48 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 0.67 0.00 0.00 0.67 0.00 0.00 36 M 8.34 4.13 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.68 0.00 37 R 8.69 4.75 0.00 1.91 1.96 0.00 3.13 0.00 0.00 3.32 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 38 S 8.04 4.19 0.00 4.14 4.08 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 39 L 7.23 4.53 0.00 1.66 1.60 0.89 0.92 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 40 G 7.94 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 41 Q 8.12 4.54 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 42 N 8.05 5.36 0.00 2.59 2.66 0.00 0.00 7.01 7.69 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 43 P 0.00 4.62 0.00 2.23 2.06 0.00 3.82 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 2.00 1.98 0.00 44 T 8.91 4.37 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 45 E 8.60 3.97 0.00 2.18 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 0.00 2.36 2.32 0.00 46 A 8.21 3.97 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 47 E 8.15 3.94 0.00 2.19 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 2.34 2.36 0.00 48 L 7.98 4.00 0.00 1.85 1.72 0.97 0.83 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 49 Q 8.41 4.01 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 50 D 8.51 4.40 0.00 2.90 2.72 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 51 M 7.84 4.01 0.00 1.97 2.27 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 2.80 2.58 0.00 52 I 7.69 3.84 1.98 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 1.52 0.44 0.92 0.00 0.00 53 N 8.54 4.30 0.00 2.69 2.88 0.00 0.00 7.08 7.25 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 54 E 8.04 4.06 0.00 2.12 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 2.34 2.62 0.00 55 V 7.55 4.35 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 0.62 0.00 0.00 0.96 0.00 0.00 56 D 7.67 4.73 0.00 2.88 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 0.00 0.00 0.00 57 A 8.21 3.98 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 58 D 7.96 4.56 0.00 2.83 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 59 G 7.98 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 60 N 8.49 4.59 0.00 2.90 2.94 0.00 0.00 6.93 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.85 4.01 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 0.00 0.00 0.00 62 T 7.75 4.78 4.39 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 1.23 0.00 0.00 63 I 8.60 4.72 1.91 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 1.31 0.74 1.08 0.00 0.00 64 D 9.12 4.96 0.00 2.86 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 65 F 8.88 3.53 0.00 2.78 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 66 P 0.00 4.27 0.00 2.21 2.10 0.00 4.02 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 67 E 8.61 3.98 0.00 2.22 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 2.44 2.50 0.00 68 F 8.46 4.11 0.00 3.33 3.15 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 0.00 69 L 7.68 3.44 0.00 1.68 1.31 0.83 -0.46 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 70 T 7.75 3.70 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 1.15 0.00 0.00 71 M 8.04 3.84 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 72 M 7.78 3.91 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.71 0.00 73 A 7.89 4.03 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 74 R 8.00 4.00 0.00 1.87 1.97 0.00 3.13 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 75 K 7.84 4.23 0.00 1.89 1.87 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.60 7.81 76 M 7.47 4.25 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 *81 S 7.31 4.28 0.00 4.05 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 82 E 8.53 3.91 0.00 2.16 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 2.39 2.50 0.00 83 E 7.82 3.99 0.00 1.97 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 2.33 2.43 0.00 84 E 8.17 4.09 0.00 2.21 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 2.37 2.53 0.00 85 I 7.84 4.02 2.23 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 1.70 0.79 1.08 0.00 0.00 86 R 8.67 4.11 0.00 2.01 1.95 0.00 2.95 0.00 0.00 2.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 87 E 8.25 4.00 0.00 2.22 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 0.00 2.35 2.72 0.00 88 A 8.32 4.29 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 0.00 0.00 0.00 0.00 0.00 89 F 8.96 3.25 0.00 3.10 3.24 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 90 R 7.96 3.90 0.00 1.97 1.94 0.00 3.22 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 91 V 7.27 3.54 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 0.30 0.00 0.00 0.97 0.00 0.00 92 F 7.55 4.36 0.00 2.80 2.90 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 93 D 7.65 4.60 0.00 1.80 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 0.00 0.00 0.00 94 K 7.84 3.87 0.00 1.77 1.84 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.37 7.81 95 D 8.37 4.48 0.00 2.80 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 96 G 7.86 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 97 N 8.69 4.54 0.00 2.98 3.01 0.00 0.00 7.09 6.62 0.00 0.00 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 G 9.97 4.06 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 0.00 99 Y 7.90 5.12 0.00 3.06 2.97 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 0.00 100 I 9.27 4.43 1.93 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.28 0.86 0.00 0.00 101 S 9.14 4.82 0.00 3.90 4.01 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 0.00 102 A 8.76 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 0.00 103 A 7.94 3.83 1.25 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 0.00 104 E 8.26 3.81 0.00 2.17 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 0.00 2.32 2.29 0.00 105 L 8.13 4.15 0.00 1.76 1.82 0.98 0.92 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 0.00 106 R 8.23 3.91 0.00 1.91 2.13 0.00 3.18 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 1.69 1.70 0.00 107 H 8.43 4.22 0.00 3.33 3.33 0.00 5.68 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 0.00 108 V 7.87 3.51 2.30 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 0.79 0.00 0.00 0.79 0.00 0.00 109 M 8.29 4.13 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.99 0.00 110 T 8.20 3.98 4.41 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 1.21 0.00 0.00 111 N 8.04 4.44 0.00 2.81 2.79 0.00 0.00 7.25 7.90 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 0.00 112 L 7.41 4.35 0.00 1.84 1.60 0.87 0.75 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 0.00 113 G 7.75 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 0.00 0.00 0.00 114 E 8.31 4.46 0.00 2.02 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 2.34 2.34 0.00 115 K 8.52 4.31 0.00 1.78 1.60 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.03 7.81 116 L 8.20 5.14 0.00 1.59 1.57 0.94 0.97 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 0.00 117 T 9.21 4.27 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 1.24 0.00 0.00 118 D 8.77 4.42 0.00 2.71 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 0.00 119 E 8.10 3.99 0.00 2.06 1.99 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 2.40 2.46 0.00 120 E 8.15 3.95 0.00 2.20 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 2.34 2.32 0.00 121 V 7.78 3.58 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 1.05 0.00 0.00 0.96 0.00 0.00 122 D 8.26 4.36 0.00 2.79 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 0.00 123 E 8.49 3.94 0.00 2.13 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 0.00 2.30 2.35 0.00 124 M 8.01 4.06 0.00 2.10 2.23 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 2.78 2.57 0.00 125 I 7.88 3.76 1.99 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 1.58 0.93 0.98 0.00 0.00 126 R 7.91 3.89 0.00 1.94 2.18 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 127 E 7.83 3.97 0.00 1.92 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 0.00 2.29 2.24 0.00 128 A 7.29 4.33 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 0.00 129 D 8.32 4.49 0.00 2.73 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 0.00 130 I 8.64 4.08 1.99 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 1.46 0.87 0.91 0.00 0.00 131 D 8.65 4.40 0.00 2.79 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 0.00 132 G 8.23 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 0.00 0.00 0.00 133 D 8.34 4.39 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 0.00 134 G 9.01 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 0.00 135 Q 8.57 4.84 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 136 V 8.68 4.72 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 1.21 0.00 0.00 0.98 0.00 0.00 137 N 9.55 5.00 0.00 2.55 2.85 0.00 0.00 6.47 7.21 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 0.00 138 Y 8.39 3.17 0.00 2.27 2.72 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 0.00 139 E 8.08 3.78 0.00 2.01 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 2.32 1.98 0.00 140 E 8.92 4.14 0.00 2.18 2.24 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 2.34 2.46 0.00 141 F 8.25 4.07 0.00 3.42 3.10 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 0.00 142 V 7.77 3.27 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 0.84 0.00 0.00 0.14 0.00 0.00 143 Q 8.06 3.95 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 144 M 7.80 4.04 0.00 1.83 2.01 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 145 M 7.69 4.08 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 146 T 8.04 4.20 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 * Residues marked with a * may have inaccurate shift predictions.