NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6156 8.4201 118.1253 53.4822 40.1171 175.4477 0 A 4.1302 7.4896 125.2735 48.4247 18.0047 176.1272 2 S 4.5988 6.5736 117.7867 57.8292 66.2077 174.4247 3 Y 4.5775 8.5063 122.4939 57.8302 40.2586 175.5645 4 I 4.4491 7.8771 119.7844 59.7701 38.3483 174.5316 5 N 4.8664 8.9388 123.4220 52.1890 40.8309 174.7644 6 N 4.3064 8.9675 113.2441 53.7990 35.9276 174.2679 7 I 4.4125 7.3423 115.1975 59.6384 40.9539 173.9533 8 E 4.1111 8.7200 127.0126 56.8876 29.9813 176.2397 9 H 4.7738 8.6150 119.0006 55.1058 30.6212 174.1226 10 A 3.8234 8.5546 120.8837 52.8349 16.0550 177.3304 11 K 4.5323 7.7836 118.4531 55.7511 35.4301 175.5654 12 V 3.7861 8.4384 126.0684 62.7193 31.9117 174.9675 13 L 4.8064 8.2983 125.8969 52.8194 45.4079 175.3011 14 D 4.8425 8.2495 119.1340 52.1707 42.7233 176.5592 15 L 4.0344 8.6410 128.1171 58.0915 41.4020 179.2173 16 T 4.0938 8.0230 108.1213 63.7463 68.8418 175.6788 17 Q 4.3296 8.0743 120.1254 57.2033 29.3520 177.0533 18 E 4.1943 7.8707 118.9673 57.2947 29.8398 176.6752 19 V 4.3405 6.7221 116.0127 60.7550 34.9952 174.2723 *21 I 3.9089 8.0863 123.3833 61.1658 38.3294 175.1194 22 E 4.6839 8.2953 123.8179 53.9040 32.2864 175.3922 23 Q 4.2612 8.7948 121.1305 58.0275 28.9980 176.4489 24 D 4.7105 9.5551 122.1681 55.2397 40.0094 173.8579 25 Q 4.2201 7.6223 119.4303 54.8486 31.0588 173.9570 *27 L 4.6202 8.2883 120.3156 55.8440 43.4991 176.2554 28 S 4.8227 8.3764 114.9889 56.6438 66.5004 173.2930 29 R 4.3241 8.7797 122.6143 54.9971 32.3885 174.7444 30 T 4.4791 8.3405 124.5863 62.4490 68.4561 174.9606 31 L 4.7676 8.7765 128.4824 56.8097 43.0738 177.9539 32 V 4.6380 7.5460 117.5146 61.5361 35.1812 174.0300 33 Q 4.9831 8.7471 128.2814 54.3073 29.7663 173.1317 34 R 4.7582 9.0340 121.1906 53.2506 33.2517 176.8068 35 Q 3.9463 8.9283 118.4576 58.9642 29.0136 176.7680 36 D 4.8615 7.8976 114.3875 52.5298 40.0406 174.7799 37 L 4.8891 7.7691 121.5149 54.4782 46.2470 173.7665 38 G 4.4853 9.1631 113.7996 44.4620 0.0000 171.8730 39 I 5.2599 8.7437 124.7508 59.8012 40.9643 174.7148 40 T 4.9231 8.9082 122.7738 61.8996 73.2239 172.9000 41 V 4.4884 8.6860 126.2256 61.5719 33.3564 174.6658 42 F 5.5365 8.8627 125.3872 55.6552 42.9073 174.0727 43 S 4.9281 9.1556 115.6577 56.5610 65.8685 173.2887 44 L 4.7609 8.1437 122.3350 52.6280 44.9551 175.9123 45 D 4.6934 8.6773 123.1388 53.3599 42.7872 175.3235 46 K 3.9646 8.5146 123.1250 58.4938 32.2745 177.0685 47 G 3.9599 8.8553 114.8175 45.2762 0.0000 173.5396 48 Q 4.5361 7.6872 119.1449 55.7687 30.2155 174.8049 49 E 5.2120 8.4873 117.4985 55.2299 33.1953 174.4071 50 I 4.3351 8.7694 123.1350 59.4646 38.8108 175.8219 51 G 4.0289 8.8055 114.7315 45.8032 0.0000 172.5937 52 R 4.3576 8.4370 121.1564 57.5094 30.5016 174.9573 53 H 4.7287 9.0051 120.0266 55.3271 32.4469 172.3606 54 S 4.8952 8.6172 114.2501 56.7233 65.5981 173.8004 55 S 5.0010 8.4181 117.5782 55.9358 64.7519 172.9006 56 P 4.5026 0.0000 0.0000 64.0007 31.7371 175.9446 57 G 4.2256 8.0243 106.9854 44.5011 0.0000 172.3807 58 D 4.8188 8.7141 120.0136 53.9779 42.2236 176.0634 59 A 5.2902 8.2103 123.3628 48.9579 23.3634 174.4235 *61 V 3.9581 8.0523 116.2478 63.4084 32.9233 174.4058 62 T 4.9122 8.7706 124.9032 61.7875 70.7799 173.8426 63 I 4.2638 8.5810 128.5829 61.0416 37.6825 176.7531 64 L 4.4856 9.3172 128.1906 56.1815 42.7849 176.7278 65 S 4.3941 8.3169 111.3160 58.5107 65.9731 176.2161 66 G 4.2629 8.9507 107.3107 45.2765 0.0000 171.8645 67 L 4.8876 8.2137 120.7462 53.5373 46.0204 175.9282 68 A 4.5549 8.6518 126.8229 49.8613 22.6551 174.2522 69 E 4.9137 9.2275 123.0476 54.8637 31.5073 174.5955 70 I 4.9682 9.2319 128.7846 59.9249 40.0368 174.6990 71 T 5.1575 8.8962 123.6671 61.9209 71.2630 173.5346 72 I 4.7367 8.8280 126.7614 61.0416 40.4644 177.0432 73 D 4.2895 9.8545 130.3226 55.3948 41.4626 174.6539 74 Q 4.1930 9.3749 112.4391 57.8516 30.0910 176.1185 75 E 4.4421 8.1681 119.7811 55.1973 31.2463 175.2505 76 T 5.1862 8.1096 115.5102 60.2876 71.3003 173.1958 77 Y 4.6566 9.3592 121.4209 56.3346 41.9090 174.5820 78 R 4.7751 8.7804 123.0489 54.8534 31.7594 175.8578 79 V 4.3696 8.9438 125.8025 61.2881 33.3749 175.3488 80 A 4.8498 9.4711 130.8016 49.8598 21.6848 175.5751 81 E 4.1057 7.9520 118.6397 58.3406 29.7446 177.4318 82 G 3.9717 9.1233 114.3991 45.2858 0.0000 172.8314 83 Q 4.8072 7.8410 118.5118 54.4783 31.7908 174.7945 84 T 5.2225 8.2304 116.4926 62.1030 72.5922 173.2438 85 I 4.4778 8.6150 123.9168 59.8313 41.4106 174.8907 86 V 4.6348 8.1886 127.7575 59.7297 33.9412 172.6111 *88 P 4.2863 0.0000 0.0000 62.1417 32.1433 175.5718 89 A 4.2694 8.2091 123.4690 53.3720 18.5987 178.5001 90 G 3.9457 9.3034 109.9820 45.4540 0.0000 173.2382 91 I 4.4763 7.0669 120.7193 58.5391 38.9545 174.1079 92 P 4.6213 0.0000 0.0000 63.3623 32.4063 174.9839 93 H 6.0261 9.3939 117.9082 53.6213 32.5773 171.8392 94 A 5.1731 8.3972 119.1902 50.7777 23.1952 174.8942 95 L 5.2127 8.8534 118.3497 53.1964 46.0942 175.1824 96 Y 5.1685 9.2757 124.5608 55.7966 42.1198 174.6677 97 A 4.7663 8.5373 129.2141 51.1129 17.5588 177.6895 98 V 3.5572 8.2879 120.8021 66.0404 32.2833 175.2213 99 E 4.9017 8.0510 117.3709 53.5188 34.2062 175.1447 100 A 4.3377 8.5603 122.1072 53.0549 19.3123 176.6997 101 F 5.4465 8.9710 115.7796 55.5488 42.2266 173.1962 102 Q 5.4252 8.5852 117.6270 52.8385 33.4378 174.1235 *104 L 4.4419 8.1763 120.7790 55.0630 43.8237 174.7892 105 L 4.9550 9.0368 128.2822 53.3266 44.6366 174.9754 106 V 4.7548 8.4945 126.4304 61.2444 34.2221 174.1861 107 V 4.5884 9.1698 129.5491 61.3580 33.6151 174.6319 108 V 4.4526 9.0748 130.0462 61.5883 32.5775 175.0363 109 K 4.8612 8.4248 127.5021 53.5957 34.6653 174.8760 110 P 4.2405 0.0000 0.0000 62.9112 31.7114 176.6033 111 E 4.0442 8.6403 121.5891 56.9304 30.0691 176.9814 112 A 5.0955 8.1815 123.5833 52.9717 19.1674 175.9748 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 N 8.42 4.62 0.00 2.73 2.88 0.00 0.00 6.91 6.46 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 A 7.49 4.13 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 2 S 6.57 4.60 0.00 3.70 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 3 Y 8.51 4.58 0.00 3.04 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 4 I 7.88 4.45 1.90 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 1.46 0.65 0.93 0.00 0.00 5 N 8.94 4.87 0.00 2.81 2.68 0.00 0.00 6.67 6.56 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 6 N 8.97 4.31 0.00 2.95 2.89 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 7 I 7.34 4.41 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 1.43 0.66 0.94 0.00 0.00 8 E 8.72 4.11 0.00 2.01 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 2.30 2.33 0.00 9 H 8.62 4.77 0.00 3.10 3.20 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.55 3.82 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 11 K 7.78 4.53 0.00 1.66 1.63 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.41 7.81 12 V 8.44 3.79 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 0.86 0.00 0.00 0.93 0.00 0.00 13 L 8.30 4.81 0.00 1.62 1.51 0.93 1.08 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 14 D 8.25 4.84 0.00 2.63 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 15 L 8.64 4.03 0.00 1.74 1.73 0.93 0.67 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 16 T 8.02 4.09 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 1.24 0.00 0.00 17 Q 8.07 4.33 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.07 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 18 E 7.87 4.19 0.00 2.11 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 2.53 2.45 0.00 19 V 6.72 4.34 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 0.83 0.00 0.00 0.94 0.00 0.00 *21 I 8.09 3.91 1.85 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 1.36 0.63 0.88 0.00 0.00 22 E 8.30 4.68 0.00 1.93 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 2.25 2.21 0.00 23 Q 8.79 4.26 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 24 D 9.56 4.71 0.00 2.75 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 25 Q 7.62 4.22 0.00 2.22 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 *27 L 8.29 4.62 0.00 1.65 1.59 0.90 0.66 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 28 S 8.38 4.82 0.00 3.00 3.27 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 29 R 8.78 4.32 0.00 1.76 1.71 0.00 3.04 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 30 T 8.34 4.48 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 1.20 0.00 0.00 31 L 8.78 4.77 0.00 1.82 1.71 0.97 0.52 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 32 V 7.55 4.64 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 1.04 0.00 0.00 1.02 0.00 0.00 33 Q 8.75 4.98 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 34 R 9.03 4.76 0.00 1.99 2.02 0.00 2.99 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 35 Q 8.93 3.95 0.00 2.04 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.19 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 36 D 7.90 4.86 0.00 3.15 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 37 L 7.77 4.89 0.00 1.72 1.52 0.99 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 38 G 9.16 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 39 I 8.74 5.26 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 1.25 0.74 0.92 0.00 0.00 40 T 8.91 4.92 4.15 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 0.43 0.00 0.00 41 V 8.69 4.49 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 1.03 0.00 0.00 0.91 0.00 0.00 42 F 8.86 5.54 0.00 2.97 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 43 S 9.16 4.93 0.00 3.71 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 44 L 8.14 4.76 0.00 0.76 1.25 0.45 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.68 4.69 0.00 2.98 2.48 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 46 K 8.51 3.96 0.00 1.80 1.71 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.55 7.81 47 G 8.86 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 48 Q 7.69 4.54 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 49 E 8.49 5.21 0.00 2.25 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 2.28 2.41 0.00 50 I 8.77 4.34 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.53 0.93 0.00 0.00 51 G 8.81 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.44 4.36 0.00 1.85 1.91 0.00 3.28 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 53 H 9.01 4.73 0.00 3.17 3.33 0.00 5.26 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.62 4.90 0.00 3.72 3.75 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 55 S 8.42 5.00 0.00 3.96 3.75 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 56 P 0.00 4.50 0.00 2.23 2.17 0.00 3.81 0.00 0.00 3.68 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 57 G 8.02 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 0.00 0.00 0.00 0.00 58 D 8.71 4.82 0.00 2.63 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 59 A 8.21 5.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 V 8.05 3.96 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 1.03 0.00 0.00 0.89 0.00 0.00 62 T 8.77 4.91 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 63 I 8.58 4.26 2.03 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.90 0.97 0.00 0.00 64 L 9.32 4.49 0.00 1.62 1.75 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.32 4.39 0.00 3.88 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 66 G 8.95 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 0.00 0.00 0.00 0.00 67 L 8.21 4.89 0.00 1.71 1.44 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.65 4.55 -0.06 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 69 E 9.23 4.91 0.00 2.12 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 2.28 2.31 0.00 70 I 9.23 4.97 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.88 0.00 0.00 71 T 8.90 5.16 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 1.28 0.00 0.00 72 I 8.83 4.74 2.06 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.93 0.00 0.00 73 D 9.85 4.29 0.00 2.74 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 0.00 0.00 0.00 74 Q 9.37 4.19 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 75 E 8.17 4.44 0.00 2.06 1.84 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 1.50 1.99 0.00 76 T 8.11 5.19 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 1.18 0.00 0.00 77 Y 9.36 4.66 0.00 2.78 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 78 R 8.78 4.78 0.00 1.66 1.87 0.00 3.21 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 79 V 8.94 4.37 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 0.88 0.00 0.00 0.90 0.00 0.00 80 A 9.47 4.85 1.23 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 0.00 0.00 0.00 81 E 7.95 4.11 0.00 2.01 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 2.45 0.00 82 G 9.12 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 83 Q 7.84 4.81 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 84 T 8.23 5.22 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 1.22 0.00 0.00 85 I 8.62 4.48 1.73 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.54 0.78 0.00 0.00 86 V 8.19 4.63 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 0.88 0.00 0.00 0.89 0.00 0.00 *88 P 0.00 4.29 0.00 2.28 2.18 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 89 A 8.21 4.27 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 90 G 9.30 3.95 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 0.00 0.00 0.00 91 I 7.07 4.48 1.99 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 1.42 0.95 0.93 0.00 0.00 92 P 0.00 4.62 0.00 2.06 1.94 0.00 3.54 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 93 H 9.39 6.03 0.00 3.17 3.32 0.00 5.71 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 94 A 8.40 5.17 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 95 L 8.85 5.21 0.00 1.71 1.62 0.93 0.82 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 96 Y 9.28 5.17 0.00 3.01 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 97 A 8.54 4.77 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 98 V 8.29 3.56 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 0.86 0.00 0.00 1.04 0.00 0.00 99 E 8.05 4.90 0.00 1.92 1.82 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 2.22 2.23 0.00 100 A 8.56 4.34 1.23 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 0.00 0.00 0.00 101 F 8.97 5.45 0.00 3.27 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 0.00 102 Q 8.59 5.43 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 *104 L 8.18 4.44 0.00 1.84 1.63 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.04 4.96 0.00 1.98 1.91 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.49 4.75 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 0.94 0.00 0.00 0.95 0.00 0.00 107 V 9.17 4.59 2.13 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 0.99 0.00 0.00 0.99 0.00 0.00 108 V 9.07 4.45 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 0.91 0.00 0.00 0.94 0.00 0.00 109 K 8.42 4.86 0.00 1.71 1.72 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.41 7.81 110 P 0.00 4.24 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 111 E 8.64 4.04 0.00 1.95 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 2.31 2.31 0.00 112 A 8.18 5.10 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 * Residues marked with a * may have inaccurate shift predictions.