NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7898 8.3549 109.7379 45.5067 0.0000 173.2572 *2 T 4.1567 8.2152 117.4707 62.9145 69.5493 174.1083 3 F 4.1915 9.0581 125.4297 57.3869 39.6961 174.9403 4 R 4.7289 8.3264 122.9051 54.4650 33.0767 175.3857 5 D 4.8286 8.2245 120.0289 53.3089 42.4128 177.9551 6 T 4.0014 8.3042 110.7534 63.9893 69.0061 176.5625 7 S 4.0794 8.1203 116.1051 60.8194 62.9237 175.3962 8 A 3.9479 8.1141 124.2024 54.3031 18.2586 176.8583 9 I 3.9329 7.4131 117.1726 60.2927 37.3200 175.6047 10 A 4.2788 8.6386 129.4241 54.6544 19.3182 176.7145 11 S 4.5012 7.0160 107.7038 57.9585 66.2437 174.7696 12 W 4.9841 8.6356 119.0318 55.0312 32.9991 174.5512 13 H 5.4483 8.6244 118.7335 53.9660 31.5676 172.8687 14 A 5.1336 9.1757 123.9787 50.4393 22.5069 175.0401 15 H 5.1551 9.1514 117.1555 53.8313 32.6789 173.1480 16 V 3.9622 8.3017 124.9308 62.9452 32.2324 174.4374 17 Y 5.6601 9.0416 126.3662 57.1170 40.3741 174.8117 18 F 4.9531 8.4396 116.8844 57.2170 41.7064 171.4605 19 D 3.3700 8.6729 116.5545 51.7636 41.6581 175.3085 20 A 3.8744 7.2271 120.6892 55.5471 18.2776 180.1937 21 S 4.2625 7.8029 109.2024 60.4676 63.3124 175.2319 22 S 4.7897 8.0688 114.3667 57.7238 63.3993 175.7399 23 R 4.1955 8.0582 122.2321 60.3292 29.7122 178.3492 24 D 4.4536 8.2642 117.9522 57.3334 40.9470 178.3613 25 A 4.0408 8.1582 120.6203 55.2372 18.4582 179.4095 26 A 4.1204 8.4793 119.5771 54.9338 18.3350 179.7294 27 W 3.6941 8.7146 127.2792 60.7612 30.9088 178.1674 28 T 3.8615 8.2914 115.9408 66.8172 67.9141 176.2221 29 L 4.0609 8.1083 121.9738 58.1241 42.0282 178.9614 30 R 3.8062 7.9596 118.7332 59.3851 29.8936 178.4097 31 E 4.0138 7.8510 119.8203 58.7585 29.3553 179.1281 32 Q 4.0967 7.9981 119.4689 59.0604 29.0950 178.2937 33 I 3.9086 8.3987 121.4478 64.3697 36.6952 177.9311 34 E 3.9151 8.4663 119.6422 59.6622 29.1267 179.5359 35 A 3.7708 7.8478 118.9952 55.0593 18.5472 178.4623 36 H 4.2661 8.0618 114.7986 56.5831 30.3859 175.7304 37 W 4.6176 7.9151 119.2383 55.7601 30.2082 174.9278 38 S 4.2757 7.3668 113.9704 60.0615 62.4766 174.6330 39 G 4.0183 9.1751 113.0114 45.0634 0.0000 173.8424 40 K 4.5432 8.0544 116.2418 55.6056 33.2456 175.4279 41 L 4.7163 7.5198 117.1874 55.0773 43.5228 174.1687 42 Q 4.6130 8.9901 119.0083 54.2889 30.7037 174.5131 43 L 5.0123 8.5975 126.4873 53.5176 43.7325 176.3837 44 G 4.1600 8.8978 114.8256 45.0861 0.0000 173.1967 45 R 4.3355 8.4736 118.2976 56.0285 31.0994 177.3655 46 F 4.7705 8.9137 124.2166 58.1031 39.7162 174.5762 47 H 4.6755 9.3133 125.4137 54.1127 29.7806 175.8860 48 E 3.9961 8.2826 125.7552 55.1502 29.9664 176.1809 49 R 3.9048 6.7790 112.3624 53.8775 32.1799 172.5863 50 P 4.2988 0.0000 0.0000 62.8331 31.8404 176.5914 51 V 4.4891 7.5837 113.4284 60.2068 35.9977 176.8545 52 G 3.7392 8.2635 110.9793 46.8036 0.0000 173.0453 53 P 4.6131 0.0000 0.0000 62.9627 31.9001 174.9240 54 H 5.0025 8.4708 118.3279 53.8910 29.2619 173.5184 55 P 4.7721 0.0000 0.0000 63.0266 32.0068 175.7346 *57 W 4.7877 7.8283 117.5383 57.9306 30.7097 174.3611 58 S 5.9897 8.5153 114.9291 59.0358 66.3669 173.1463 59 Y 5.4819 8.2730 117.5449 55.7274 41.6878 173.3962 60 Q 5.0908 8.9946 121.6215 54.6485 31.9661 173.8743 61 L 5.2976 9.2210 124.9471 52.9173 44.9081 175.0862 62 A 5.3607 9.0648 126.4052 50.2243 21.6929 175.2033 63 F 5.2458 8.4856 116.1045 56.2523 42.0122 173.5086 64 T 4.7030 8.5668 109.8919 60.5414 70.6488 175.5205 65 Q 4.2920 8.9180 122.3051 59.5131 28.7414 177.9383 66 E 4.2642 7.9538 116.7051 58.0848 30.0147 177.8983 67 Q 4.5303 8.0979 117.2898 55.8581 29.4442 177.0995 68 F 4.0596 7.9947 122.5617 61.3743 39.3471 176.7718 69 A 4.0221 8.1477 119.5795 55.2797 18.2837 179.2100 70 D 4.3565 8.0115 116.8725 57.4237 41.0292 178.6878 71 L 3.1032 7.7288 120.7563 57.9125 41.9241 179.1709 72 V 3.3268 7.5302 118.7605 65.4466 31.2571 178.0990 73 G 3.6269 8.0928 105.8099 47.6204 0.0000 175.4644 74 W 4.1616 8.2428 131.1008 60.1677 30.8577 178.0764 75 L 3.9433 8.5395 119.4330 57.9632 40.7576 179.6114 76 T 3.8050 7.7709 115.0422 66.7402 68.4998 176.4505 77 L 4.1586 7.6966 119.3774 56.6184 41.6704 177.5803 78 N 4.7069 7.2345 112.6655 52.7660 39.9246 174.7178 79 H 4.4172 8.2466 114.3370 55.5261 30.1465 176.7426 80 G 3.5707 7.2655 108.7243 47.3326 0.0000 174.2012 81 A 4.4911 8.6166 127.3524 51.4761 19.0296 176.7334 82 L 4.4589 7.6802 118.3992 54.4618 42.1931 176.7589 83 D 4.9662 8.8443 124.0956 54.5063 42.4636 175.3611 84 I 4.8517 8.7657 122.6323 59.4886 40.8164 174.1669 85 F 4.2997 8.5749 130.1168 56.8996 40.6448 174.3959 86 L 5.0865 8.4593 125.8214 53.2144 45.6391 175.1831 87 H 5.2973 8.5160 116.6942 53.5481 32.0842 171.2672 88 P 3.6267 0.0000 0.0000 62.2985 32.6861 175.1353 89 N 4.9743 8.4424 118.9113 51.9874 40.1750 175.4355 90 T 4.5243 8.8888 113.2061 59.9879 69.7296 175.0097 91 G 3.9595 8.6869 109.6824 45.5687 0.0000 174.1580 92 D 4.5520 7.8520 117.9564 51.0734 42.6233 175.0112 93 A 3.9835 8.3060 128.2432 54.7748 18.6093 178.7178 94 L 3.8662 7.7945 118.2723 58.2783 42.2641 178.8527 95 R 3.8781 8.1440 118.6186 59.6204 30.1118 178.1313 96 D 4.3042 8.3870 118.9202 57.7752 40.5751 178.6078 97 H 4.3837 8.1616 115.5785 58.7119 28.8581 177.5771 98 R 4.1238 8.3792 120.1026 58.8034 30.1011 176.7637 99 D 4.8732 8.5346 115.8169 54.0970 42.7243 176.4454 100 A 4.7272 7.7494 121.2518 51.4260 19.5480 175.7331 101 A 4.5210 8.2904 121.3120 53.6107 19.3864 178.2425 102 V 4.6510 8.7725 121.5337 60.8962 35.4367 174.4060 103 W 5.6164 8.6778 124.3733 55.2015 33.0222 174.4982 104 I 4.0993 9.0057 126.4703 62.3276 38.1020 175.2555 105 G 4.0928 9.4610 116.3498 44.4391 0.0000 175.4744 106 H 4.9024 7.2475 116.2137 53.3586 31.5091 173.8688 107 S 2.7900 7.9929 117.2029 57.4901 63.7786 173.1482 108 H 4.5610 5.3029 117.4362 53.5431 31.9342 173.4780 109 E 4.0923 8.5262 122.4523 56.0797 29.3753 177.1537 110 L 4.2688 8.2992 124.2099 54.4916 43.0939 178.0991 111 V 3.9883 8.3898 122.6857 61.7564 29.9593 176.9135 112 L 4.0614 7.7346 123.8772 57.2967 42.2565 179.9713 113 S 4.1627 8.0116 111.8471 60.6148 62.9772 175.0324 114 A 4.1141 7.7814 122.9346 53.5109 18.3920 177.3135 115 L 4.3983 7.5940 115.6547 53.5626 43.3923 176.3243 116 N 4.4359 8.6478 117.7122 54.3130 39.9004 173.8631 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 0 G 8.35 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 0.00 0.00 0.00 *2 T 8.22 4.16 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 1.25 0.00 0.00 3 F 9.06 4.19 0.00 2.95 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 4 R 8.33 4.73 0.00 1.74 1.79 0.00 3.15 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 5 D 8.22 4.83 0.00 2.71 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 6 T 8.30 4.00 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 7 S 8.12 4.08 0.00 3.98 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 8 A 8.11 3.95 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 9 I 7.41 3.93 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.41 0.32 0.00 0.00 10 A 8.64 4.28 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 11 S 7.02 4.50 0.00 3.91 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 12 W 8.64 4.98 0.00 1.78 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 13 H 8.62 5.45 0.00 2.73 2.96 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 9.18 5.13 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 15 H 9.15 5.16 0.00 3.05 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.30 3.96 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 0.94 0.00 0.00 0.75 0.00 0.00 17 Y 9.04 5.66 0.00 3.20 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 18 F 8.44 4.95 0.00 3.10 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 19 D 8.67 3.37 0.00 2.13 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 0.00 0.00 0.00 20 A 7.23 3.87 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 21 S 7.80 4.26 0.00 3.99 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 22 S 8.07 4.79 0.00 4.12 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 23 R 8.06 4.20 0.00 2.53 2.24 0.00 3.55 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.40 0.00 24 D 8.26 4.45 0.00 2.81 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 25 A 8.16 4.04 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 26 A 8.48 4.12 1.10 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 27 W 8.71 3.69 0.00 3.25 3.18 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 28 T 8.29 3.86 4.46 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 1.25 0.00 0.00 29 L 8.11 4.06 0.00 1.86 1.98 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.96 3.81 0.00 1.31 1.24 0.00 2.21 0.00 0.00 2.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.06 0.00 31 E 7.85 4.01 0.00 2.02 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 1.64 2.08 0.00 32 Q 8.00 4.10 0.00 2.32 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.97 0.00 33 I 8.40 3.91 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.91 0.87 0.00 0.00 34 E 8.47 3.92 0.00 2.09 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 0.00 2.23 2.36 0.00 35 A 7.85 3.77 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 36 H 8.06 4.27 0.00 3.10 2.96 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 7.92 4.62 0.00 3.41 2.98 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 38 S 7.37 4.28 0.00 3.83 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 39 G 9.18 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 0.00 0.00 0.00 40 K 8.05 4.54 0.00 2.11 2.04 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.46 7.81 41 L 7.52 4.72 0.00 1.80 1.60 0.92 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.99 4.61 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 43 L 8.60 5.01 0.00 1.63 1.56 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.90 4.16 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 0.00 0.00 0.00 45 R 8.47 4.34 0.00 1.65 1.88 0.00 3.30 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 46 F 8.91 4.77 0.00 3.14 3.26 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 47 H 9.31 4.68 0.00 3.24 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.28 4.00 0.00 1.56 1.12 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 2.38 2.36 0.00 49 R 6.78 3.90 0.00 1.70 1.51 0.00 2.97 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 50 P 0.00 4.30 0.00 2.04 2.16 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 51 V 7.58 4.49 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 0.69 0.00 0.00 0.79 0.00 0.00 52 G 8.26 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 53 P 0.00 4.61 0.00 2.12 2.15 0.00 3.52 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 54 H 8.47 5.00 0.00 3.23 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.77 0.00 2.12 2.09 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.23 0.00 *57 W 7.83 4.79 0.00 1.91 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 0.00 0.00 0.00 58 S 8.52 5.99 0.00 4.10 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 59 Y 8.27 5.48 0.00 3.24 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 60 Q 8.99 5.09 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 61 L 9.22 5.30 0.00 1.66 1.55 0.74 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.06 5.36 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 63 F 8.49 5.25 0.00 3.08 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 64 T 8.57 4.70 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 1.28 0.00 0.00 65 Q 8.92 4.29 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 66 E 7.95 4.26 0.00 2.09 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 2.39 2.45 0.00 67 Q 8.10 4.53 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 68 F 7.99 4.06 0.00 2.98 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 69 A 8.15 4.02 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 70 D 8.01 4.36 0.00 2.87 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 71 L 7.73 3.10 0.00 0.64 0.83 -0.78 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.53 3.33 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.29 0.00 0.00 73 G 8.09 3.63 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 0.00 0.00 0.00 74 W 8.24 4.16 0.00 3.70 3.48 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 75 L 8.54 3.94 0.00 1.70 1.62 0.65 0.76 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 76 T 7.77 3.80 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 1.18 0.00 0.00 77 L 7.70 4.16 0.00 1.58 1.60 0.92 0.99 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 78 N 7.23 4.71 0.00 1.65 2.09 0.00 0.00 7.04 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 79 H 8.25 4.42 0.00 3.38 3.67 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.27 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 81 A 8.62 4.49 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 82 L 7.68 4.46 0.00 1.90 1.77 1.02 1.16 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 83 D 8.84 4.97 0.00 2.87 2.86 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 84 I 8.77 4.85 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.03 0.86 0.00 0.00 85 F 8.57 4.30 0.00 1.99 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 0.00 0.00 0.00 0.00 86 L 8.46 5.09 0.00 1.51 1.57 0.84 0.64 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 87 H 8.52 5.30 0.00 3.00 2.93 0.00 5.45 0.00 0.00 0.00 0.00 6.55 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 3.63 0.00 1.34 0.49 0.00 3.57 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 89 N 8.44 4.97 0.00 2.45 2.60 0.00 0.00 6.89 6.59 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 90 T 8.89 4.52 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 1.06 0.00 0.00 91 G 8.69 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 0.00 0.00 0.00 92 D 7.85 4.55 0.00 2.62 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 93 A 8.31 3.98 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 94 L 7.79 3.87 0.00 1.75 1.66 0.91 0.84 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 95 R 8.14 3.88 0.00 2.10 2.03 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 96 D 8.39 4.30 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 97 H 8.16 4.38 0.00 3.10 3.43 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.38 4.12 0.00 1.86 2.03 0.00 3.22 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 99 D 8.53 4.87 0.00 2.78 2.66 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 0.00 0.00 0.00 0.00 100 A 7.75 4.73 1.20 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 0.00 101 A 8.29 4.52 1.56 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 0.00 0.00 102 V 8.77 4.65 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 0.89 0.00 0.00 1.18 0.00 0.00 103 W 8.68 5.62 0.00 3.19 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 0.00 104 I 9.01 4.10 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.56 0.00 0.00 105 G 9.46 4.09 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 0.00 0.00 0.00 106 H 7.25 4.90 0.00 3.18 3.07 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.99 2.79 0.00 2.72 2.93 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 0.00 108 H 5.30 4.56 0.00 3.11 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.53 4.09 0.00 1.92 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 2.24 2.23 0.00 110 L 8.30 4.27 0.00 1.65 1.67 0.64 0.64 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 0.00 111 V 8.39 3.99 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 0.93 0.00 0.00 0.90 0.00 0.00 112 L 7.73 4.06 0.00 1.74 1.70 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.01 4.16 0.00 3.96 3.99 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 0.00 0.00 0.00 114 A 7.78 4.11 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 0.00 115 L 7.59 4.40 0.00 1.73 1.54 0.70 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.65 4.44 0.00 2.74 2.70 0.00 0.00 6.86 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.