NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3626 8.2027 121.9791 56.1045 30.2338 172.9920 3 V 4.6149 8.2662 125.3707 59.9461 34.7342 172.7694 4 S 4.6856 9.3249 121.6681 56.3833 65.8740 172.1602 5 V 4.7471 8.4445 126.5188 61.2982 32.7955 174.6801 6 E 4.5383 9.0478 128.2840 56.1628 31.4410 175.5201 7 T 4.5277 8.0959 114.7053 62.4160 70.5078 173.6284 8 T 3.5525 7.7470 122.6389 63.6507 69.2526 171.2457 9 Q 5.0141 9.3746 135.0000 56.7688 30.2248 173.3747 10 G 3.9624 8.0730 107.1240 46.7375 0.0000 172.7933 11 L 4.0091 7.8600 118.2759 54.6175 41.0903 175.8001 12 G 3.8611 7.1730 105.3774 47.0348 0.0000 172.7878 13 R 4.6728 8.2592 118.2547 54.7782 35.4379 174.1933 14 R 4.8321 8.2236 119.8937 54.7014 33.8106 173.7691 15 V 4.7582 8.9668 126.7274 61.6017 33.9837 174.0866 16 T 4.9137 8.8484 125.5923 62.1403 70.4711 174.0556 17 I 4.9511 8.3737 126.1460 59.6701 41.6337 174.5217 18 T 4.9825 8.2358 120.7753 61.9733 71.3710 173.5297 19 I 4.4905 9.3384 128.1052 59.6650 39.1874 175.7441 20 A 4.5213 8.7435 129.4168 52.0399 19.2410 178.2814 21 A 4.1439 9.2450 124.1116 55.3242 18.4020 180.0959 22 D 4.3148 8.0963 116.2243 57.4171 41.2349 178.2484 23 S 4.1605 7.9667 113.4460 61.2316 62.4632 176.0806 24 I 3.7722 7.6284 122.1993 64.4987 36.8199 178.3234 25 E 4.0497 8.4208 119.4299 59.5714 29.3250 179.5921 26 T 3.8819 8.0111 115.8519 66.3701 68.4854 176.7163 27 A 3.9540 7.7920 122.8910 55.0557 18.4334 179.6987 28 V 3.4986 7.8235 116.8087 66.1557 31.6197 178.0344 29 K 3.9113 8.3295 119.5630 59.6494 32.1158 178.6376 30 S 4.0898 8.0146 113.1259 61.2889 62.2227 175.7941 31 E 3.9240 8.3347 122.0960 59.2503 29.3270 178.7332 32 L 3.9584 8.3502 119.5431 57.7608 41.4058 179.7079 33 V 3.5665 7.7014 117.5140 65.7756 31.7255 177.3222 34 N 4.3963 7.9542 116.5459 56.7289 38.7971 176.9532 35 V 3.4129 8.0075 119.6708 65.9528 31.7043 177.7616 36 A 4.0303 8.2751 120.2070 54.3468 17.9390 179.0804 37 K 4.1858 7.7700 115.7699 57.7814 32.5013 178.3658 38 K 4.2616 7.6062 117.2152 56.7366 33.3570 177.4044 39 V 3.6917 7.4255 118.7009 62.7758 31.9976 175.1440 40 R 4.6883 8.5149 125.1739 54.3391 32.6283 175.0607 41 I 4.5158 8.2366 122.9549 59.0227 39.5908 174.7897 42 D 4.5637 8.8011 125.2446 56.1754 41.0336 177.4879 43 G 3.9785 9.0045 110.3200 45.4559 0.0000 172.8356 44 F 4.8117 8.1658 121.8100 56.4635 41.2421 174.7427 45 R 4.4888 7.7156 123.6027 55.4280 32.5142 176.7178 46 K 3.9737 6.7200 117.9320 55.8360 29.7732 178.0734 47 G 3.8183 7.8126 110.6637 44.0334 0.0000 170.8061 48 K 4.4082 8.3740 117.6758 56.3322 33.7385 177.2643 49 V 3.5627 8.1119 121.7372 62.4337 32.0863 176.4872 50 P 4.5711 0.0000 0.0000 62.2782 32.8661 177.5081 *52 N 4.6815 8.9187 117.1129 54.5718 40.9650 176.8238 53 I 3.6606 7.6910 118.4115 64.2819 37.2565 178.3097 54 V 3.7737 7.6504 118.3425 66.1936 31.4215 177.8232 55 A 4.0799 8.0371 119.9104 55.1276 17.9649 179.2822 56 Q 3.7972 7.7175 116.6854 59.4082 29.3005 178.0728 57 R 3.8319 7.6936 118.1748 58.5182 30.4124 176.9339 58 Y 4.7013 8.1857 114.3558 57.3465 38.7236 177.6776 59 G 3.7548 7.9552 108.0921 47.9722 0.0000 175.6269 60 A 3.9936 7.9245 123.2340 54.6910 18.4460 179.8021 61 S 3.9887 7.9413 113.0734 61.8105 63.0118 176.8760 62 V 3.5651 8.1005 121.2779 66.0662 31.2571 178.0417 63 R 3.7711 8.2676 118.7002 59.2762 29.8888 178.3235 64 Q 3.7348 7.9748 119.5575 59.0850 28.9877 177.8765 65 D 4.2670 8.0218 120.0812 57.2799 40.8543 178.9187 66 V 3.5247 8.0070 119.0980 65.8345 31.2418 178.1479 67 L 3.8746 7.5918 118.3530 57.3576 41.3827 179.3683 68 G 3.4860 7.4948 104.6857 47.4965 0.0000 175.0595 69 D 4.4708 8.1016 120.5806 56.8623 41.3242 179.5187 70 L 4.3839 7.8055 119.4343 54.6810 41.7067 179.4012 *72 S 4.6313 7.9539 113.1297 58.6902 64.3059 175.5843 73 R 3.9947 8.4810 119.4831 59.6824 29.7988 178.9652 74 N 4.4654 8.8733 116.4200 56.0574 38.4753 177.3733 75 F 4.4464 8.5555 121.9562 61.3082 39.6426 177.0978 76 I 3.3658 7.8696 119.3640 64.5649 37.0283 178.1158 77 D 4.3735 8.4265 119.6729 57.2152 40.4833 178.9868 78 A 3.9391 8.0308 121.5178 55.2313 18.5463 179.8449 79 I 3.5523 7.4998 111.4082 63.8729 37.3231 178.5173 80 I 3.6498 7.6375 121.8742 64.3020 36.7258 178.5228 81 K 4.0683 7.6969 117.6194 58.8486 31.8462 178.1907 82 E 4.3848 8.0055 117.1881 54.9796 30.1520 176.5796 83 K 3.8813 7.7163 117.5903 57.0961 30.2828 173.9149 84 I 4.8225 7.6232 110.1427 59.5738 41.1600 173.9539 85 N 4.8416 8.2532 116.3710 50.7302 39.7462 172.7623 86 P 4.7162 0.0000 0.0000 62.9213 32.0290 175.9829 87 A 4.5089 8.9143 122.7729 52.1605 20.7200 176.3148 88 G 4.1987 7.6507 102.1826 43.3703 0.0000 171.5768 89 A 4.1347 8.4745 122.2304 51.5284 18.7961 175.7310 90 P 4.7815 0.0000 0.0000 62.7921 33.0062 175.6630 91 T 4.5543 8.9034 118.8572 62.1926 70.9785 173.0118 92 Y 4.6632 8.6784 124.8574 57.2168 39.6954 174.8335 93 V 4.6607 9.0740 126.1467 60.1563 32.1864 172.8605 94 P 4.8112 0.0000 0.0000 62.7450 32.4692 176.7657 95 G 4.1609 7.8007 108.6038 44.8895 0.0000 172.3522 96 E 4.3922 8.7907 120.8472 55.9584 30.3450 175.9330 97 Y 4.8902 8.7276 126.7878 56.0479 40.2010 174.0609 98 K 4.1732 7.6968 125.9705 53.7745 34.4022 175.0132 99 L 3.7509 7.5780 124.8063 56.0688 41.9295 177.2917 100 G 3.9719 9.0854 113.6636 45.4296 0.0000 172.2038 101 E 4.8125 7.8330 118.5583 53.9472 32.3158 175.7315 102 D 4.7943 8.7794 120.9338 55.1339 41.9050 175.7907 103 F 5.1893 9.2044 123.6703 56.8573 42.4692 173.9902 104 T 5.1342 7.8373 121.8756 62.1166 71.8555 172.5528 105 Y 5.1495 8.2781 121.8835 56.4188 42.1500 173.2444 106 S 5.1449 9.2127 115.3667 56.7590 67.5396 173.7628 107 V 4.5464 8.4803 120.6301 61.5512 34.4068 173.8211 108 E 5.0900 8.7915 128.2523 54.8492 32.3202 175.1025 109 F 4.7603 7.5940 116.6259 56.9419 41.8599 172.0683 110 E 5.1701 8.5973 117.5474 54.6317 32.9428 175.3573 111 V 4.9086 7.7577 119.1478 61.1097 34.7356 174.8926 112 Y 4.2122 8.7814 122.5555 56.8790 38.4648 174.3338 113 P 4.3764 0.0000 0.0000 63.0884 31.9443 175.2356 114 E 4.8195 8.4285 120.0418 54.8175 33.7681 175.8732 115 V 4.0037 8.1080 118.0492 63.3920 31.9497 174.8638 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 Q 8.20 4.36 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 3 V 8.27 4.61 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 0.87 0.00 0.00 0.94 0.00 0.00 4 S 9.32 4.69 0.00 3.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.44 4.75 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 0.90 0.00 0.00 1.02 0.00 0.00 6 E 9.05 4.54 0.00 1.88 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 2.26 2.21 0.00 7 T 8.10 4.53 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 1.19 0.00 0.00 8 T 7.75 3.55 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 1.19 0.00 0.00 9 Q 9.37 5.01 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.40 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 10 G 8.07 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 11 L 7.86 4.01 0.00 1.88 2.02 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.17 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 13 R 8.26 4.67 0.00 0.99 1.29 0.00 3.05 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 14 R 8.22 4.83 0.00 1.74 1.61 0.00 3.26 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 15 V 8.97 4.76 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 1.02 0.00 0.00 1.29 0.00 0.00 16 T 8.85 4.91 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 1.09 0.00 0.00 17 I 8.37 4.95 1.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.94 0.00 0.00 18 T 8.24 4.98 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 19 I 9.34 4.49 2.15 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 1.04 0.00 0.00 20 A 8.74 4.52 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 21 A 9.24 4.14 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 22 D 8.10 4.31 0.00 2.83 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 23 S 7.97 4.16 0.00 3.98 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 24 I 7.63 3.77 2.18 0.00 0.00 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 1.58 0.91 0.95 0.00 0.00 25 E 8.42 4.05 0.00 2.01 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 2.55 2.53 0.00 26 T 8.01 3.88 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 1.22 0.00 0.00 27 A 7.79 3.95 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 28 V 7.82 3.50 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 1.03 0.00 0.00 1.00 0.00 0.00 29 K 8.33 3.91 0.00 1.91 1.99 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 S 8.01 4.09 0.00 3.97 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 31 E 8.33 3.92 0.00 2.19 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 2.27 2.35 0.00 32 L 8.35 3.96 0.00 1.85 1.72 0.94 0.75 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 33 V 7.70 3.57 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 0.79 0.00 0.00 1.04 0.00 0.00 34 N 7.95 4.40 0.00 2.94 2.96 0.00 0.00 6.83 7.07 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 35 V 8.01 3.41 2.14 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 0.49 0.00 0.00 0.84 0.00 0.00 36 A 8.28 4.03 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.77 4.19 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 38 K 7.61 4.26 0.00 1.62 1.79 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.57 7.81 39 V 7.43 3.69 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 0.83 0.00 0.00 0.85 0.00 0.00 40 R 8.51 4.69 0.00 1.83 1.84 0.00 3.39 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 1.68 1.56 0.00 41 I 8.24 4.52 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.90 0.00 0.00 42 D 8.80 4.56 0.00 2.69 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 43 G 9.00 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 44 F 8.17 4.81 0.00 2.97 3.11 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 0.00 0.00 0.00 0.00 45 R 7.72 4.49 0.00 1.62 1.76 0.00 3.21 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 46 K 6.72 3.97 0.00 1.25 1.59 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.14 7.81 47 G 7.81 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 48 K 8.37 4.41 0.00 1.91 1.87 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.50 7.81 49 V 8.11 3.56 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 0.65 0.00 0.00 0.96 0.00 0.00 50 P 0.00 4.57 0.00 2.01 1.85 0.00 3.30 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 *52 N 8.92 4.68 0.00 2.76 2.89 0.00 0.00 6.88 7.06 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 53 I 7.69 3.66 1.98 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 1.46 0.52 0.88 0.00 0.00 54 V 7.65 3.77 2.12 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 1.13 0.00 0.00 1.00 0.00 0.00 55 A 8.04 4.08 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 56 Q 7.72 3.80 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 57 R 7.69 3.83 0.00 1.58 1.45 0.00 2.95 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 58 Y 8.19 4.70 0.00 3.12 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 59 G 7.96 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 0.00 0.00 0.00 60 A 7.92 3.99 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 61 S 7.94 3.99 0.00 3.95 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 62 V 8.10 3.57 2.19 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 1.07 0.00 0.00 0.99 0.00 0.00 63 R 8.27 3.77 0.00 1.98 1.85 0.00 3.24 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.53 0.00 64 Q 7.97 3.73 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 65 D 8.02 4.27 0.00 2.84 2.63 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 66 V 8.01 3.52 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 0.97 0.00 0.00 0.90 0.00 0.00 67 L 7.59 3.87 0.00 1.41 1.15 -0.40 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.49 3.49 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 69 D 8.10 4.47 0.00 2.66 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 70 L 7.81 4.38 0.00 1.76 1.72 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *72 S 7.95 4.63 0.00 3.87 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 73 R 8.48 3.99 0.00 1.87 2.03 0.00 3.37 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 74 N 8.87 4.47 0.00 3.13 3.08 0.00 0.00 6.71 7.93 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 75 F 8.56 4.45 0.00 3.41 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 76 I 7.87 3.37 2.06 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 1.49 0.74 0.87 0.00 0.00 77 D 8.43 4.37 0.00 2.83 2.74 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 78 A 8.03 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 3.55 1.87 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.31 0.00 0.00 80 I 7.64 3.65 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.88 0.00 0.00 81 K 7.70 4.07 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.61 7.81 82 E 8.01 4.38 0.00 1.93 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 0.00 2.55 2.51 0.00 83 K 7.72 3.88 0.00 1.74 1.84 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.39 7.81 84 I 7.62 4.82 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 0.99 0.00 0.00 85 N 8.25 4.84 0.00 2.77 2.73 0.00 0.00 6.07 7.75 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 86 P 0.00 4.72 0.00 2.04 1.93 0.00 3.52 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.08 0.00 87 A 8.91 4.51 0.63 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 88 G 7.65 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 0.00 0.00 0.00 0.00 89 A 8.47 4.13 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 90 P 0.00 4.78 0.00 1.43 1.84 0.00 3.79 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 2.01 2.01 0.00 91 T 8.90 4.55 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 1.23 0.00 0.00 92 Y 8.68 4.66 0.00 2.88 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 V 9.07 4.66 2.12 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 1.12 0.00 0.00 0.95 0.00 0.00 94 P 0.00 4.81 0.00 2.42 2.27 0.00 3.90 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 2.11 2.08 0.00 95 G 7.80 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 96 E 8.79 4.39 0.00 2.01 1.93 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 2.35 2.36 0.00 97 Y 8.73 4.89 0.00 2.91 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 98 K 7.70 4.17 0.00 1.66 1.52 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.33 7.81 99 L 7.58 3.75 0.00 1.53 1.56 1.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 100 G 9.09 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 0.00 101 E 7.83 4.81 0.00 1.85 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 2.21 2.17 0.00 102 D 8.78 4.79 0.00 2.62 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 0.00 103 F 9.20 5.19 0.00 3.39 3.11 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 0.00 0.00 0.00 0.00 104 T 7.84 5.13 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 1.08 0.00 0.00 105 Y 8.28 5.15 0.00 3.20 2.74 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 0.00 106 S 9.21 5.14 0.00 3.73 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 0.00 107 V 8.48 4.55 1.88 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 -0.45 0.00 0.00 0.71 0.00 0.00 108 E 8.79 5.09 0.00 1.86 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 109 F 7.59 4.76 0.00 3.13 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 0.00 110 E 8.60 5.17 0.00 1.90 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 2.24 2.24 0.00 111 V 7.76 4.91 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 0.94 0.00 0.00 1.19 0.00 0.00 112 Y 8.78 4.21 0.00 2.97 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 0.00 113 P 0.00 4.38 0.00 2.09 2.02 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 114 E 8.43 4.82 0.00 1.92 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 2.23 2.49 0.00 115 V 8.11 4.00 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 0.80 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.