NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3805 8.1733 120.0849 55.6892 35.2184 174.7452 4 I 4.9151 7.3937 120.8078 57.4735 40.3472 173.1039 5 R 4.9997 8.3601 121.3311 54.2559 33.2208 174.1648 6 I 4.6389 8.7957 115.4902 59.1977 40.2446 174.2903 7 K 4.7289 8.3427 126.0771 55.0073 33.6701 175.7085 8 L 5.0036 8.9224 125.1296 52.9249 44.2489 174.7396 9 R 5.2048 7.7136 124.8187 57.2866 35.0270 175.6722 10 G 3.7338 9.2970 110.8962 46.6522 0.0000 172.8124 11 F 4.3989 7.5307 119.3578 61.2492 39.5351 175.2653 12 D 4.5538 8.1026 122.1912 55.2985 41.6770 176.3165 13 H 4.8087 8.7232 118.3493 55.3216 28.5971 175.0162 14 K 4.0993 9.8623 121.4046 57.9552 32.5540 178.0627 15 T 4.4382 7.9536 106.5863 61.1511 68.8555 174.5737 16 L 4.4784 7.7144 123.4293 55.7690 43.7064 177.0360 17 D 4.5508 7.9365 116.5500 56.3755 41.4433 177.4086 18 A 4.0383 7.4441 122.2761 55.2063 18.1549 179.1014 19 S 4.2414 7.7671 107.7425 59.7611 63.3628 174.5119 20 A 4.4264 7.8982 123.0285 53.9111 20.0037 178.6635 21 Q 4.0118 8.5785 122.5616 57.7172 28.3187 178.5107 22 K 4.4181 7.7655 121.4531 58.6007 32.4129 178.3482 23 I 3.9935 7.6631 118.3138 63.0249 38.2095 176.5627 24 V 4.1445 7.4635 121.4400 61.4918 30.1964 174.5208 25 E 4.7215 7.5694 122.1349 58.0377 37.4300 176.9473 26 A 4.4526 7.2920 120.7655 50.3615 17.6313 176.5189 27 A 5.1619 7.1260 123.1650 53.8631 25.8216 179.4961 28 R 3.9876 7.8011 115.2522 59.0741 30.4923 178.1588 29 R 4.1021 7.9769 117.0738 58.9904 30.7928 177.4779 30 S 4.3818 8.3574 112.4688 60.6695 64.5019 175.4051 31 G 4.4700 7.7431 103.6575 43.8436 0.0000 173.1640 32 A 4.5770 8.2787 123.0930 51.8950 20.3431 176.7971 33 Q 4.6173 7.6030 109.2984 54.1090 34.6334 173.4700 34 V 5.3486 8.3056 119.5417 60.3447 34.1919 176.3409 35 S 4.3726 8.9016 124.0839 57.8188 61.3249 170.1964 36 G 3.9974 8.3548 122.6809 44.8959 0.0000 170.7130 37 P 4.0916 0.0000 0.0000 64.4498 31.8736 178.1922 38 I 3.1143 6.6109 109.9104 59.4889 37.3997 171.5542 39 P 5.0883 0.0000 0.0000 60.6751 33.1658 174.4854 40 L 4.6855 7.9530 120.6125 53.1193 42.7757 173.9898 41 P 3.9327 0.0000 0.0000 61.2062 30.7694 175.6710 42 T 3.9770 8.4104 121.1676 63.3208 67.2575 174.8702 43 R 4.2023 8.6263 126.0304 56.2523 31.5240 176.0124 44 V 4.5403 8.1842 120.1292 61.4100 34.7512 175.6406 45 R 4.5305 8.2152 122.6790 54.1124 30.7614 174.2694 46 R 4.3909 8.0483 120.3518 55.9940 31.6298 175.9535 47 F 4.7608 8.9595 119.9207 56.3019 42.3977 174.4331 48 T 5.1445 8.4090 120.0774 61.8221 71.5744 173.7028 49 V 4.2402 7.2823 121.2671 61.6110 34.9003 171.7952 50 I 4.2463 8.4308 122.0981 61.3549 37.6098 176.7200 51 R 4.1769 8.4776 120.7869 57.2826 30.5629 177.0676 52 G 4.3786 7.6632 105.4935 42.4965 0.0000 171.4119 53 P 4.3580 0.0000 0.0000 64.8585 31.5110 176.5822 54 F 4.4900 7.7976 120.5561 57.8469 39.2445 175.4892 55 K 4.1321 7.9908 118.1962 56.9798 35.4233 177.0676 56 H 4.8703 8.3298 121.4983 54.8541 30.9770 175.5934 57 K 4.2290 7.6133 120.2155 55.1929 31.2242 175.9556 58 D 4.4500 7.8573 115.8134 53.7719 44.6009 173.9085 59 S 3.7058 8.4520 115.3289 59.5280 60.7583 173.0023 60 R 4.3348 7.4833 122.1771 56.9542 31.5997 175.5065 61 E 4.5899 8.2061 118.1674 56.5590 33.5294 175.5012 62 H 5.5639 8.9286 122.4948 53.9689 31.3289 172.9532 63 F 5.2114 9.9765 115.4424 55.1283 41.3951 174.0336 64 E 4.3110 8.9988 120.6035 56.7337 30.5897 177.3319 65 L 4.4604 7.8907 119.2292 54.3701 42.8340 175.3566 66 R 4.6625 7.8707 120.4825 55.3202 28.4529 174.8923 67 T 4.1567 7.9988 114.1149 62.7054 68.0978 173.1353 68 H 4.7837 8.8841 126.2406 55.1947 31.0686 174.0089 69 N 5.7097 9.3353 116.9327 50.0688 42.0720 173.6026 70 R 5.0392 7.7333 124.5076 56.8772 32.6128 172.4220 71 L 5.0871 8.8543 125.8320 54.2084 45.6718 174.7300 72 V 4.9233 8.5357 123.1348 61.4125 35.7497 172.9416 73 D 5.4035 8.6126 125.5757 52.4479 44.2956 175.0255 74 I 4.5430 8.4605 117.6826 60.5506 38.9788 176.4172 75 I 4.1765 8.9741 117.5512 61.5172 39.7912 175.2697 76 N 4.8823 8.0045 120.6620 50.7481 39.6030 172.3119 77 P 4.5282 0.0000 0.0000 62.5908 31.9633 176.0963 78 N 4.4525 8.0990 116.5103 54.0613 37.4194 175.1198 79 R 4.2729 8.3590 115.2088 56.9447 30.6393 178.0123 80 K 4.2207 7.7224 120.9363 58.9993 32.8023 178.0905 81 T 4.6082 7.7364 110.8024 64.6257 68.4023 176.1598 82 I 3.6700 7.6360 123.2798 63.2000 37.0149 177.6338 83 E 3.9671 8.2436 121.0849 59.3413 29.9907 179.0558 84 Q 4.2979 7.6448 112.2277 56.5619 29.4594 177.6134 85 L 5.2414 9.1322 116.6597 54.0682 43.4633 178.0839 86 M 3.8379 5.8600 125.9337 58.6179 33.3233 176.6768 87 T 4.2811 7.8791 106.7927 61.4227 71.0110 173.4524 88 L 4.5357 8.0434 124.2668 53.0803 42.5831 174.2051 89 D 5.2107 8.4793 125.2110 52.4939 44.0665 176.9471 90 L 4.8144 8.1272 121.8344 52.9921 42.0919 174.5722 91 P 4.5980 0.0000 0.0000 64.6799 33.5306 175.1973 92 T 4.2763 7.8930 117.7421 62.2206 69.5405 174.5278 93 G 4.7046 7.4452 123.6829 46.3809 0.0000 171.8357 94 V 4.3928 7.2856 119.1422 60.5532 34.0434 174.2763 95 E 4.7185 8.5652 125.9504 54.3622 31.8866 174.6080 96 I 5.5972 8.2805 119.7788 58.8601 41.0576 175.4460 97 E 4.4985 8.3175 122.1394 55.1551 32.9867 174.3287 98 I 4.8534 8.2433 125.9570 60.0071 37.7952 175.6476 99 K 4.6146 8.3731 128.3740 55.5898 35.9828 178.4432 100 T 4.9749 8.5112 120.7010 63.8938 69.3056 174.8184 *101 V 3.9054 8.2893 123.3373 60.9538 32.3498 172.6016 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 3 K 8.17 4.38 0.00 1.73 1.92 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.64 7.81 4 I 7.39 4.92 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 1.28 1.29 0.95 0.00 0.00 5 R 8.36 5.00 0.00 1.96 2.00 0.00 2.90 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 6 I 8.80 4.64 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 1.30 0.80 0.91 0.00 0.00 7 K 8.34 4.73 0.00 1.96 1.76 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.55 7.81 8 L 8.92 5.00 0.00 1.67 1.54 1.02 0.71 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 9 R 7.71 5.20 0.00 1.47 1.67 0.00 3.10 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.42 0.00 10 G 9.30 3.73 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 0.00 0.00 0.00 11 F 7.53 4.40 0.00 3.06 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 12 D 8.10 4.55 0.00 2.70 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 13 H 8.72 4.81 0.00 3.02 3.06 0.00 5.57 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.86 4.10 0.00 2.09 1.82 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.16 7.81 15 T 7.95 4.44 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 1.20 0.00 0.00 16 L 7.71 4.48 0.00 1.79 1.69 1.04 1.30 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 17 D 7.94 4.55 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.44 4.04 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 19 S 7.77 4.24 0.00 4.02 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 20 A 7.90 4.43 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 21 Q 8.58 4.01 0.00 2.03 2.15 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 2.37 0.00 22 K 7.77 4.42 0.00 1.86 1.89 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.32 7.81 23 I 7.66 3.99 1.87 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 0.71 0.91 0.00 0.00 24 V 7.46 4.14 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 0.77 0.00 0.00 0.96 0.00 0.00 25 E 7.57 4.72 0.00 2.16 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 0.00 2.30 2.47 0.00 26 A 7.29 4.45 1.27 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 0.00 0.00 27 A 7.13 5.16 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 28 R 7.80 3.99 0.00 1.78 1.99 0.00 3.16 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 29 R 7.98 4.10 0.00 1.77 1.94 0.00 3.24 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 30 S 8.36 4.38 0.00 3.99 4.12 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 0.00 0.00 0.00 31 G 7.74 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.58 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 33 Q 7.60 4.62 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 34 V 8.31 5.35 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 0.95 0.00 0.00 0.93 0.00 0.00 35 S 8.90 4.37 0.00 3.92 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 36 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 2.06 2.12 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 38 I 6.61 3.11 1.88 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 1.70 0.93 0.91 0.00 0.00 39 P 0.00 5.09 0.00 2.22 2.09 0.00 3.74 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 1.92 1.94 0.00 40 L 7.95 4.69 0.00 1.76 1.68 0.95 0.66 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 41 P 0.00 3.93 0.00 2.20 2.12 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 42 T 8.41 3.98 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 0.97 0.00 0.00 43 R 8.63 4.20 0.00 1.74 1.85 0.00 3.22 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 44 V 8.18 4.54 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 0.81 0.00 0.00 0.96 0.00 0.00 45 R 8.22 4.53 0.00 2.04 1.93 0.00 2.98 0.00 0.00 2.95 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 46 R 8.05 4.39 0.00 1.62 1.84 0.00 3.10 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 47 F 8.96 4.76 0.00 3.31 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 48 T 8.41 5.14 4.30 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 1.16 0.00 0.00 49 V 7.28 4.24 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 0.78 0.00 0.00 0.97 0.00 0.00 50 I 8.43 4.25 1.88 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 1.41 0.79 1.01 0.00 0.00 51 R 8.48 4.18 0.00 1.81 1.95 0.00 3.10 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.88 0.00 52 G 7.66 4.38 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 0.00 0.00 0.00 53 P 0.00 4.36 0.00 2.26 2.25 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 54 F 7.80 4.49 0.00 2.90 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 55 K 7.99 4.13 0.00 1.61 1.33 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 1.17 7.81 56 H 8.33 4.87 0.00 3.13 3.21 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.61 4.23 0.00 1.72 1.81 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.34 7.81 58 D 7.86 4.45 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 3.71 0.00 3.94 3.87 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 60 R 7.48 4.33 0.00 1.69 2.13 0.00 3.18 0.00 0.00 3.12 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 61 E 8.21 4.59 0.00 1.85 1.49 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 1.76 2.01 0.00 62 H 8.93 5.56 0.00 3.24 3.32 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.98 5.21 0.00 3.00 3.07 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 64 E 9.00 4.31 0.00 2.03 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 2.34 2.34 0.00 65 L 7.89 4.46 0.00 1.73 1.87 0.28 1.16 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 66 R 7.87 4.66 0.00 1.77 1.83 0.00 3.29 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 67 T 8.00 4.16 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 1.32 0.00 0.00 68 H 8.88 4.78 0.00 3.42 3.25 0.00 5.81 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 69 N 9.34 5.71 0.00 2.76 2.75 0.00 0.00 7.12 7.66 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 70 R 7.73 5.04 0.00 2.02 1.96 0.00 3.38 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 71 L 8.85 5.09 0.00 1.59 1.47 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.54 4.92 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 1.29 0.00 0.00 0.93 0.00 0.00 73 D 8.61 5.40 0.00 2.59 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 74 I 8.46 4.54 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 1.46 0.84 0.91 0.00 0.00 75 I 8.97 4.18 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 1.47 0.68 0.95 0.00 0.00 76 N 8.00 4.88 0.00 2.89 2.76 0.00 0.00 6.91 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 77 P 0.00 4.53 0.00 2.17 2.13 0.00 3.78 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 1.97 1.94 0.00 78 N 8.10 4.45 0.00 2.89 3.03 0.00 0.00 6.15 7.66 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 79 R 8.36 4.27 0.00 1.80 2.01 0.00 3.36 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 80 K 7.72 4.22 0.00 1.78 1.97 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.42 7.81 81 T 7.74 4.61 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 1.38 0.00 0.00 82 I 7.64 3.67 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 1.70 1.38 0.91 0.00 0.00 83 E 8.24 3.97 0.00 2.07 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 2.30 2.32 0.00 84 Q 7.64 4.30 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.31 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 85 L 9.13 5.24 0.00 1.51 1.36 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 86 M 5.86 3.84 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 87 T 7.88 4.28 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 88 L 8.04 4.54 0.00 1.71 1.66 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.48 5.21 0.00 2.65 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 90 L 8.13 4.81 0.00 1.55 1.57 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.60 0.00 2.02 2.00 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 92 T 7.89 4.28 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 1.20 0.00 0.00 93 G 7.45 4.70 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 94 V 7.29 4.39 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 0.80 0.00 0.00 0.95 0.00 0.00 95 E 8.57 4.72 0.00 2.00 1.69 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 2.20 2.28 0.00 96 I 8.28 5.60 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 1.35 1.49 0.89 0.00 0.00 97 E 8.32 4.50 0.00 1.84 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 2.28 2.27 0.00 98 I 8.24 4.85 1.87 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 1.35 -0.09 0.91 0.00 0.00 99 K 8.37 4.61 0.00 1.57 1.51 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.35 7.81 100 T 8.51 4.97 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 *101 V 8.29 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.