NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2553 8.0932 114.8036 57.8212 64.6849 174.2233 2 L 4.0225 8.3551 122.0077 57.9710 41.4421 178.2015 3 L 4.0105 8.9129 119.6964 58.3633 41.9021 178.6827 4 E 4.0252 8.1987 117.2291 59.7227 29.3323 178.8697 5 F 4.6934 8.3258 119.7808 61.7646 39.4377 177.3927 6 G 3.5826 8.8862 105.2611 47.8162 0.0000 175.2706 7 K 3.9583 8.2076 122.4976 59.3452 32.1859 178.3158 8 M 4.1143 8.6231 118.8096 58.8105 32.0973 178.2877 9 I 3.6496 7.9384 120.1839 64.2328 37.1626 178.1798 10 L 4.3422 7.9413 122.4803 57.6529 41.7067 178.8130 11 E 3.9759 8.0304 117.3020 59.3815 29.5283 178.7829 12 E 4.0952 8.0744 118.0115 59.2185 29.9775 178.1738 13 T 4.4297 8.5000 106.8662 60.9380 70.2456 175.7427 14 G 3.8160 8.2340 110.4229 45.9134 0.0000 173.3830 *16 K 4.6744 7.4116 117.6553 56.1638 33.5962 174.6126 17 L 4.3769 8.0823 120.9134 53.7361 42.9016 177.2884 18 A 4.0545 8.7528 127.3206 55.0760 18.3467 176.8455 19 I 4.6342 7.6283 114.7572 59.3228 38.6127 173.9412 20 P 5.2546 0.0000 0.0000 61.8278 31.7516 176.4257 21 S 4.2067 7.8548 116.0947 61.3252 62.6622 174.5217 22 Y 4.8513 8.2824 114.8005 57.3373 39.5753 176.4589 23 S 4.5893 8.1542 114.6237 60.0316 64.1015 174.9155 24 S 5.1315 7.7625 117.3188 57.3686 62.4413 172.7630 25 Y 4.7621 7.9717 121.7227 58.4304 40.6682 175.8681 26 G 3.8602 7.1506 113.6984 47.2789 0.0000 173.1199 27 C 4.5780 9.1454 116.0539 58.1056 38.8718 173.8500 28 Y 4.2794 8.7071 116.1873 58.1802 38.6681 174.9632 29 C 4.7234 8.2258 117.9565 58.1827 40.2598 173.1519 30 G 4.3399 9.0559 118.0353 46.7174 0.0000 174.0196 31 W 4.3325 8.3058 128.3110 56.3688 32.0339 178.6596 32 G 3.7872 8.6769 106.8029 49.2989 0.0000 172.7123 33 G 3.7027 8.5396 108.7388 45.4776 0.0000 171.8905 34 K 4.2956 8.2723 121.9544 55.1513 33.6271 174.7813 35 G 3.7984 8.7225 105.1973 45.3342 0.0000 172.6159 36 T 4.3932 8.0535 115.0264 60.6988 69.7123 173.1594 37 P 4.5261 0.0000 0.0000 63.2678 31.7640 176.8184 38 K 3.8940 10.2101 123.7076 59.1391 32.1517 176.1653 39 D 4.4126 7.4130 115.7171 51.1638 41.9413 175.1376 40 A 4.2394 8.8615 120.0491 56.2297 18.0171 179.8729 41 T 3.9538 7.8829 113.2918 66.8700 68.4562 176.2015 42 D 4.5207 8.6064 120.0880 57.4584 41.1552 178.5498 43 R 3.9282 8.9263 119.7869 59.3198 29.9681 178.1091 44 C 4.0938 8.4986 116.7758 60.5234 35.9587 175.7204 45 C 4.3307 8.5325 117.7872 59.8874 40.7328 176.0403 46 F 3.8241 8.4224 122.4329 61.3654 38.8120 177.4482 47 V 3.2212 8.2468 116.7966 65.8508 31.3834 177.3356 48 H 3.9815 8.2177 118.4017 59.2748 29.6464 176.7945 49 D 4.1588 8.4052 120.9615 57.7798 40.4314 178.4200 50 C 4.0988 7.6653 115.8385 59.7122 34.9879 175.2248 51 C 4.2581 7.9281 120.4914 59.9526 40.9324 175.3099 52 Y 4.2483 7.6877 117.7962 60.8299 37.2020 178.5043 53 G 3.7036 7.8610 106.0397 47.2789 0.0000 174.5226 54 N 4.7764 7.7977 115.9057 52.9822 40.1116 175.5881 55 L 4.7183 7.3931 120.7397 51.7307 42.0028 174.1214 56 P 4.2463 0.0000 0.0000 65.5347 32.3593 178.5804 *59 D 5.0546 7.6345 115.7788 54.4000 42.2077 175.3924 *61 C 5.3188 7.6444 114.8148 57.3438 42.1777 173.5934 *67 N 5.3304 7.9392 115.6461 52.4023 38.4480 173.2221 68 P 3.9227 0.0000 0.0000 65.3496 32.1992 179.1366 69 K 4.0309 8.0408 117.2405 58.5769 32.1632 178.3952 70 S 4.6351 7.7918 109.9555 57.9187 64.4849 173.4010 71 D 4.5039 8.0017 122.0264 53.7421 41.4905 175.2458 72 R 4.8312 8.7071 125.1352 53.9095 31.6515 175.0299 73 Y 4.9400 7.5494 119.4009 54.9354 41.2118 174.4413 74 K 4.9911 8.5868 118.2951 54.8679 35.7134 175.0643 75 Y 5.5582 8.3216 120.3163 55.5401 41.7777 173.4504 76 K 4.6891 9.3484 118.9627 55.5035 37.1529 174.8032 77 R 5.5682 8.4970 118.1368 53.9875 31.9461 177.2364 78 V 3.9764 8.4512 125.5470 61.5755 30.0737 175.7571 79 N 4.5373 8.0696 117.6470 52.6218 36.3815 173.8096 80 G 3.3963 7.8867 110.3910 45.1439 0.0000 173.7681 81 A 4.3634 7.5384 123.6458 51.6475 19.9308 176.5330 82 I 4.6760 8.2574 122.2273 60.3277 38.8870 175.6727 83 V 4.3584 9.3920 126.3606 61.0792 34.2826 173.8987 84 C 4.8908 8.9527 126.2038 57.1927 40.6883 173.2741 85 E 4.7359 9.0041 123.4210 54.2546 31.3504 176.1572 86 K 3.7246 8.7367 123.2367 57.3265 33.0825 175.8670 *88 G 4.3082 8.2903 114.2013 45.3054 0.0000 172.1915 89 T 4.1461 8.6969 112.9018 61.5797 70.8661 175.4023 90 S 4.1678 8.4422 115.8762 61.5922 63.1901 177.0488 91 C 4.2655 8.1302 119.6743 59.8156 38.9203 175.7119 92 E 3.9965 8.4966 120.4300 59.4366 29.0842 179.1948 93 N 4.2101 8.0944 116.3574 56.5479 38.4680 177.7866 94 R 3.9054 7.7102 117.8012 59.1913 30.2421 179.0263 95 I 3.7627 7.7264 119.7677 64.3530 37.0880 177.1907 96 C 2.8881 7.4954 119.0467 59.7693 38.4817 175.8184 97 E 3.7397 7.9440 119.6337 59.6718 28.5438 178.7642 98 C 4.2123 8.2701 116.7153 59.9153 36.8161 175.8078 99 D 3.9087 7.6659 119.9496 56.4518 40.6683 178.3489 100 K 3.7323 8.0999 120.2815 59.4223 32.0504 178.4085 101 A 3.8008 7.7394 120.3741 55.1964 18.3375 179.2013 102 A 3.3356 7.3976 118.0605 55.1835 18.2611 179.3403 103 A 3.9681 8.3602 119.2707 55.6060 18.4166 179.4994 104 I 3.5662 8.1313 117.8968 64.7980 37.0658 177.4055 105 C 3.9098 8.4107 118.4047 60.0012 44.6740 175.5878 106 F 4.5426 8.0262 119.1197 60.8141 38.3045 177.5449 107 R 3.9409 8.0782 117.1466 59.5486 29.8918 177.6850 108 Q 4.2917 8.3164 117.5533 57.3794 29.3932 175.6440 109 N 5.1729 8.2379 116.7916 53.3725 40.3761 176.4544 110 L 4.1504 8.3045 121.4172 58.1713 41.7852 178.8880 111 N 4.6762 8.2354 113.3672 54.9904 38.4824 175.2284 112 T 4.6414 7.8509 107.1236 61.0009 69.5969 173.1243 113 Y 4.0909 8.3444 124.1427 58.0749 38.9155 174.8318 114 S 4.9314 8.7580 122.4164 56.2927 64.4873 175.0915 115 K 4.1684 8.6795 126.5734 58.7927 32.1086 178.5855 116 K 4.0865 7.4876 116.4885 58.1568 32.5870 176.9492 117 Y 4.4552 7.0958 117.3211 57.8666 38.3829 174.9255 118 M 4.3368 7.6910 121.1753 56.1476 32.8160 175.7165 119 L 3.6630 8.4790 125.4215 55.6736 39.8798 174.4501 120 Y 4.0359 8.1477 119.1636 56.7416 39.4406 173.6593 121 P 4.3810 0.0000 0.0000 62.4332 32.5873 176.6104 122 D 4.2556 8.8638 121.3351 57.2844 41.3062 178.0946 *124 F 5.0044 7.8567 111.5409 56.7955 39.5658 175.4469 125 L 3.8124 6.7595 118.7410 55.0044 41.3861 176.8972 126 C 5.0092 8.2288 118.3647 54.6200 39.6305 172.7102 127 K 4.7188 8.9483 119.4090 53.6158 35.3525 177.0793 128 G 4.2499 7.8158 110.6755 44.8863 0.0000 170.7616 129 E 4.5939 7.6777 120.2327 54.3234 31.5843 175.3771 130 L 4.0842 8.0674 122.5566 54.6444 43.3321 173.8652 131 K 4.3994 8.2928 126.5014 55.4471 33.6177 177.9299 *133 C 4.8602 8.5435 118.2682 57.4829 41.5321 173.7715 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 S 8.09 5.26 0.00 4.13 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 2 L 8.36 4.02 0.00 1.85 1.90 1.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.91 4.01 0.00 1.72 1.76 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.20 4.03 0.00 1.93 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 0.00 1.57 2.30 0.00 5 F 8.33 4.69 0.00 3.30 3.35 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 6 G 8.89 3.58 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 0.00 0.00 0.00 7 K 8.21 3.96 0.00 1.92 2.25 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.54 7.81 8 M 8.62 4.11 0.00 2.37 2.09 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 9 I 7.94 3.65 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.07 0.67 0.00 0.00 10 L 7.94 4.34 0.00 1.77 1.85 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.03 3.98 0.00 2.20 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 2.42 2.72 0.00 12 E 8.07 4.10 0.00 2.19 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 2.41 2.39 0.00 13 T 8.50 4.43 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 1.28 0.00 0.00 14 G 8.23 3.82 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 0.00 *16 K 7.41 4.67 0.00 1.83 1.64 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.27 7.81 17 L 8.08 4.38 0.00 1.68 1.73 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.75 4.05 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 19 I 7.63 4.63 1.90 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 1.53 0.71 0.95 0.00 0.00 20 P 0.00 5.25 0.00 2.18 2.15 0.00 3.36 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 7.85 4.21 0.00 3.71 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 22 Y 8.28 4.85 0.00 2.88 2.68 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 23 S 8.15 4.59 0.00 4.12 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 0.00 24 S 7.76 5.13 0.00 4.02 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 25 Y 7.97 4.76 0.00 3.18 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 26 G 7.15 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 0.00 0.00 0.00 27 C 9.15 4.58 0.00 3.21 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 28 Y 8.71 4.28 0.00 3.38 3.19 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 0.00 0.00 0.00 0.00 29 C 8.23 4.72 0.00 3.52 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 30 G 9.06 4.34 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 0.00 31 W 8.31 4.33 0.00 3.27 3.38 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 32 G 8.68 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 33 G 8.54 3.70 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 0.00 0.00 0.00 34 K 8.27 4.30 0.00 1.81 1.86 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.50 7.81 35 G 8.72 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 36 T 8.05 4.39 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 1.13 0.00 0.00 37 P 0.00 4.53 0.00 1.84 2.08 0.00 3.23 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 1.31 1.70 0.00 38 K 10.21 3.89 0.00 0.79 0.99 0.00 1.26 0.00 0.00 1.37 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 0.69 7.81 39 D 7.41 4.41 0.00 2.74 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 40 A 8.86 4.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 3.95 3.83 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 42 D 8.61 4.52 0.00 3.02 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 43 R 8.93 3.93 0.00 1.97 1.97 0.00 3.17 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 44 C 8.50 4.09 0.00 3.15 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 45 C 8.53 4.33 0.00 3.42 3.52 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 46 F 8.42 3.82 0.00 2.58 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 47 V 8.25 3.22 1.98 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 0.72 0.00 0.00 0.94 0.00 0.00 48 H 8.22 3.98 0.00 3.13 3.33 0.00 5.66 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 49 D 8.41 4.16 0.00 2.74 2.69 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 0.00 0.00 0.00 0.00 50 C 7.67 4.10 0.00 2.68 2.88 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 51 C 7.93 4.26 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 52 Y 7.69 4.25 0.00 2.99 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 53 G 7.86 3.70 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 0.00 0.00 0.00 54 N 7.80 4.78 0.00 2.83 2.83 0.00 0.00 6.78 7.36 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 55 L 7.39 4.72 0.00 1.55 1.52 0.88 1.04 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 56 P 0.00 4.25 0.00 2.16 2.09 0.00 3.60 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 2.10 2.10 0.00 *59 D 7.63 5.05 0.00 2.74 2.69 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 0.00 0.00 0.00 0.00 *61 C 7.64 5.32 0.00 3.05 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 *67 N 7.94 5.33 0.00 2.73 2.77 0.00 0.00 7.59 8.03 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 68 P 0.00 3.92 0.00 1.08 0.49 0.00 3.43 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.00 69 K 8.04 4.03 0.00 1.81 1.87 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.48 7.81 70 S 7.79 4.64 0.00 3.94 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 71 D 8.00 4.50 0.00 2.77 2.62 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 0.00 0.00 0.00 0.00 72 R 8.71 4.83 0.00 1.79 1.83 0.00 3.37 0.00 0.00 3.44 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 73 Y 7.55 4.94 0.00 3.04 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 74 K 8.59 4.99 0.00 1.98 1.70 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.44 7.81 75 Y 8.32 5.56 0.00 3.09 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 76 K 9.35 4.69 0.00 1.77 1.91 0.00 1.26 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.45 7.81 77 R 8.50 5.57 0.00 1.72 1.92 0.00 3.49 0.00 0.00 4.01 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.47 0.00 78 V 8.45 3.98 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 1.03 0.00 0.00 0.95 0.00 0.00 79 N 8.07 4.54 0.00 2.96 3.02 0.00 0.00 7.24 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 80 G 7.89 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.36 1.36 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 82 I 8.26 4.68 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.79 0.00 0.00 83 V 9.39 4.36 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 1.08 0.00 0.00 0.96 0.00 0.00 84 C 8.95 4.89 0.00 2.86 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 85 E 9.00 4.74 0.00 2.08 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 2.31 2.29 0.00 86 K 8.74 3.72 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.47 7.81 *88 G 8.29 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 0.00 0.00 0.00 0.00 89 T 8.70 4.15 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 1.33 0.00 0.00 90 S 8.44 4.17 0.00 4.05 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 91 C 8.13 4.27 0.00 2.97 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 92 E 8.50 4.00 0.00 2.28 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 0.00 2.59 2.49 0.00 93 N 8.09 4.21 0.00 2.71 2.81 0.00 0.00 7.07 7.82 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 94 R 7.71 3.91 0.00 1.74 1.94 0.00 3.13 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 95 I 7.73 3.76 1.97 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 1.19 0.77 1.01 0.00 0.00 96 C 7.50 2.89 0.00 1.53 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 97 E 7.94 3.74 0.00 2.09 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 2.38 2.42 0.00 98 C 8.27 4.21 0.00 3.20 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 99 D 7.67 3.91 0.00 2.62 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 0.00 100 K 8.10 3.73 0.00 1.76 1.88 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.39 7.81 101 A 7.74 3.80 1.26 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 0.00 0.00 102 A 7.40 3.34 1.07 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 0.00 0.00 103 A 8.36 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.57 1.95 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 1.48 0.80 0.86 0.00 0.00 105 C 8.41 3.91 0.00 2.85 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 4.54 0.00 3.07 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 0.00 107 R 8.08 3.94 0.00 1.80 2.21 0.00 3.35 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 108 Q 8.32 4.29 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.15 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 109 N 8.24 5.17 0.00 2.82 2.79 0.00 0.00 6.86 6.33 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 0.00 110 L 8.30 4.15 0.00 1.76 1.76 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.24 4.68 0.00 2.73 2.91 0.00 0.00 6.66 7.54 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 0.00 112 T 7.85 4.64 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 1.27 0.00 0.00 113 Y 8.34 4.09 0.00 3.00 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 0.00 114 S 8.76 4.93 0.00 4.02 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 0.00 115 K 8.68 4.17 0.00 1.90 1.87 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.63 7.81 116 K 7.49 4.09 0.00 1.58 1.73 0.00 1.33 0.00 0.00 1.50 0.00 0.00 2.58 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.83 0.29 7.81 117 Y 7.10 4.46 0.00 1.76 1.86 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 0.00 118 M 7.69 4.34 0.00 2.00 2.16 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 2.74 2.57 0.00 119 L 8.48 3.66 0.00 1.85 1.73 0.92 0.76 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 0.00 120 Y 8.15 4.04 0.00 3.02 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 0.00 121 P 0.00 4.38 0.00 2.65 2.19 0.00 2.51 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 122 D 8.86 4.26 0.00 2.57 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 *124 F 7.86 5.00 0.00 3.25 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 0.00 125 L 6.76 3.81 0.00 1.21 1.58 0.45 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.23 5.01 0.00 3.10 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 0.00 127 K 8.95 4.72 0.00 1.81 1.76 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.51 7.81 128 G 7.82 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 0.00 129 E 7.68 4.59 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 130 L 8.07 4.08 0.00 1.57 1.20 -0.15 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.29 4.40 0.00 1.89 1.73 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.49 7.81 *133 C 8.54 4.86 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.