NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0085 8.0549 117.9084 60.3157 33.6276 175.6365 4 I 4.1600 7.8432 122.7947 58.5539 37.2493 173.7495 5 N 5.0656 8.2912 123.6755 51.8773 38.9561 173.8711 6 T 4.6738 7.7316 108.9731 60.6725 72.3173 174.5956 7 F 4.1777 8.5321 120.5741 61.1169 38.9210 177.7998 8 D 4.5148 8.3051 117.8954 57.3726 40.7899 178.9523 9 G 3.6292 8.1321 106.3067 47.8717 0.0000 175.9638 10 V 3.6882 8.3731 120.9605 65.2080 31.3783 177.6947 11 A 4.0764 8.3228 120.9730 55.5963 18.0570 179.3526 12 D 4.2841 8.4434 117.0875 57.6482 40.8728 178.4191 13 Y 4.2135 8.2258 119.9626 60.6838 38.8030 178.1978 14 L 4.0195 8.1954 119.8105 58.0992 41.5908 179.5322 15 Q 3.8495 7.4591 116.2461 59.0331 28.5665 178.3684 16 T 3.6707 6.7455 114.4088 65.4152 67.6181 175.9933 17 Y 4.0095 7.6262 117.2775 57.6756 38.1494 175.6906 18 H 3.1533 7.6263 118.7568 56.0863 27.0535 175.0081 19 K 4.6823 7.1683 116.0730 53.7806 35.8554 177.6631 20 L 4.2823 8.2849 118.6419 53.9527 42.2585 175.3120 21 P 3.9337 0.0000 0.0000 62.7964 31.8187 177.7010 *22 D 4.4147 8.4422 117.5298 56.0599 39.8707 176.7143 23 N 4.6899 8.0823 113.5712 53.5703 37.4490 173.3949 24 Y 5.2666 7.4445 116.0696 56.6270 40.1970 175.2074 25 I 4.8945 8.5840 115.6921 59.2114 41.7625 174.9239 26 T 4.7171 8.4911 113.6392 60.6476 70.3274 175.6053 27 K 4.0462 9.4421 122.1291 59.6265 31.8217 179.9386 28 S 4.3312 8.1093 114.1240 61.3221 62.7016 176.2581 29 E 4.0058 8.3304 122.0612 59.0112 29.1576 179.0549 30 A 4.0527 8.0755 120.9630 55.2790 18.5746 179.5760 31 Q 4.2918 8.3744 116.1337 59.3067 28.5812 179.1275 32 A 4.0846 7.6521 120.7432 55.0270 18.5550 179.1177 33 L 4.2702 7.5510 114.7056 55.5630 41.8167 177.9589 34 G 4.1188 7.6421 107.6040 44.9089 0.0000 173.4312 35 W 4.4610 8.2933 130.4291 56.7631 31.1995 175.8083 36 V 3.7735 8.7342 125.5242 59.2934 32.5185 175.8780 37 A 3.6945 7.6327 128.6443 55.2303 18.1850 179.5462 38 S 4.3738 7.9676 110.0024 61.0934 62.9676 175.2583 39 K 4.2930 7.8453 116.9474 55.3585 32.5345 176.2887 40 G 3.3073 7.1168 106.9593 46.3042 0.0000 173.4728 41 N 4.8257 7.9216 112.1805 52.3665 38.3125 176.2067 42 L 3.9534 8.4780 122.6216 59.1483 41.6560 178.8987 43 A 4.0925 8.0655 118.4108 54.9958 18.3728 178.8183 44 D 4.4607 7.9018 117.0931 57.1139 41.1558 178.6140 45 V 4.1317 7.7662 110.0059 61.7246 33.7647 176.5626 46 A 4.6608 7.9761 121.4664 49.3110 19.4467 173.0338 47 P 4.3843 0.0000 0.0000 63.6357 32.2045 177.3027 48 G 3.8375 8.8295 109.8736 45.8551 0.0000 172.9669 49 K 4.7318 7.6243 118.0513 54.7774 34.5615 175.9147 50 S 4.4702 8.2465 116.7372 56.5532 67.6912 173.4857 51 I 4.2744 7.8731 123.2563 61.3169 38.0133 175.3323 52 G 4.2194 9.4904 112.2472 46.9752 0.0000 174.4500 53 G 4.3948 9.4833 110.3737 44.3182 0.0000 173.8030 54 D 4.7504 7.8134 119.4828 53.7693 42.4399 175.8541 55 I 4.3455 8.3467 122.2386 61.4364 38.0925 175.1011 56 F 4.7404 9.0092 131.5231 57.0756 39.0280 175.9227 57 S 3.9455 8.2314 123.0554 60.1382 62.2352 171.5986 58 N 3.9141 6.5129 119.7180 54.5383 37.0334 176.7569 *59 R 3.8906 7.0825 115.6223 59.9095 29.6867 181.0128 60 E 4.1754 8.2003 111.4384 55.5964 29.5564 179.2506 61 G 4.1002 8.1832 106.1371 47.2705 0.0000 175.3919 62 K 4.0657 7.6252 119.9828 58.1222 32.2599 177.5424 63 L 3.9765 7.5354 118.1448 51.3366 43.1508 174.5695 64 P 4.2442 0.0000 0.0000 63.2312 31.4874 176.2051 65 G 4.1452 8.3141 111.6537 44.3643 0.0000 172.5945 66 K 4.1155 8.0831 120.0123 55.6995 34.7519 174.9573 67 S 4.1757 8.7597 121.8299 60.6411 61.9668 174.2212 68 G 3.9351 8.9236 114.9202 44.0968 0.0000 172.4353 69 R 4.0662 8.1089 121.0943 55.4833 31.0725 175.4506 70 T 4.6711 8.1809 114.5333 59.6634 72.3165 172.6400 71 W 5.1163 8.6687 122.8398 55.3209 31.8726 175.1984 72 R 5.2061 8.8204 121.9718 54.2604 33.9844 174.0937 73 E 5.4569 8.8827 117.9097 54.9106 33.5483 174.4740 74 A 5.0117 8.7438 120.8452 50.5627 23.0981 175.3206 75 D 4.9186 9.3806 122.5430 54.3632 41.4391 176.0883 76 I 4.2600 8.3379 123.6868 60.0698 40.2101 175.7828 77 N 4.3756 8.9947 121.3441 54.2372 36.3618 173.6933 78 Y 4.3355 7.3332 120.0922 57.1937 39.7559 175.5513 79 T 3.9459 7.0330 114.7498 62.5884 70.7397 173.6358 80 S 4.1720 6.3595 112.0667 58.6920 65.3673 175.4995 81 G 3.7979 8.5805 107.7596 44.5463 0.0000 173.3179 82 F 4.4005 8.5734 117.0876 57.2027 39.6009 175.5304 83 R 4.2633 8.7176 122.1637 56.4797 30.5343 176.7495 84 N 4.9101 8.5559 118.3224 52.2726 39.8700 175.0894 85 S 4.3897 8.5073 112.2030 58.4086 64.5985 172.6133 86 D 5.4555 8.1918 121.1068 53.4547 42.5002 175.7917 87 R 5.0219 9.4949 122.0027 54.3120 34.9881 173.9684 88 A 5.3662 9.1676 124.3586 50.4234 21.5722 175.3882 89 L 5.3168 9.3793 124.0119 53.3053 43.5390 175.3584 90 Y 5.7289 9.0903 122.5055 55.3432 41.5484 175.3116 91 S 4.4139 8.6076 116.8501 55.5796 65.3585 175.1832 92 S 3.5135 7.8746 114.1482 60.0094 62.9364 174.5512 93 D 4.4672 7.2289 119.3414 52.4782 39.2891 175.9335 94 W 3.8329 6.6744 116.8782 58.4435 27.0504 174.4358 95 L 4.4784 8.1203 118.4521 54.4521 42.2376 176.0924 96 I 5.4381 8.5820 122.9679 59.9401 40.3654 174.1976 97 Y 5.1482 9.6072 124.7134 55.8958 41.7281 174.8213 98 K 5.3706 9.3814 120.9959 55.5668 36.3663 174.8636 99 T 4.9231 8.8585 115.8195 60.6369 70.7637 174.0311 100 T 5.0491 8.8359 115.5033 60.2175 69.4790 173.3088 101 D 4.7729 7.5602 121.9009 53.9602 40.0726 175.0300 102 H 3.3259 8.3501 111.2912 58.7845 26.5487 174.8750 103 Y 3.1736 7.2973 109.1374 59.1330 35.9491 172.6229 104 Q 4.1125 7.7975 118.7620 58.5611 29.0176 176.5433 105 T 4.6025 8.7248 106.8287 59.5199 71.6041 172.9891 106 F 5.3998 8.4495 120.1423 56.2768 42.8818 174.6284 107 T 4.8308 8.8653 117.6772 61.4932 72.7162 173.4035 108 K 3.5894 8.9144 127.9121 56.4427 32.2631 176.2409 109 I 4.4742 8.6395 119.3523 60.8671 40.2214 175.7916 110 R 4.1815 7.5464 126.1320 56.3928 31.1594 174.5512 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 V 8.05 4.01 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.84 4.16 1.73 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 1.48 1.08 0.88 0.00 0.00 5 N 8.29 5.07 0.00 2.76 2.83 0.00 0.00 5.84 7.22 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 6 T 7.73 4.67 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 1.22 0.00 0.00 7 F 8.53 4.18 0.00 3.14 3.13 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 8 D 8.31 4.51 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 10 V 8.37 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 0.81 0.00 0.00 1.02 0.00 0.00 11 A 8.32 4.08 1.50 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 0.00 0.00 12 D 8.44 4.28 0.00 2.81 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 13 Y 8.23 4.21 0.00 3.26 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 14 L 8.20 4.02 0.00 1.91 1.75 0.58 0.48 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 15 Q 7.46 3.85 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 16 T 6.75 3.67 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 17 Y 7.63 4.01 0.00 2.58 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 18 H 7.63 3.15 0.00 3.14 3.43 0.00 5.71 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.17 4.68 0.00 1.77 1.51 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.28 1.25 7.81 20 L 8.28 4.28 0.00 1.60 1.47 0.80 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.93 0.00 2.24 1.29 0.00 3.24 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.42 0.00 *22 D 8.44 4.41 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.69 0.00 2.76 2.91 0.00 0.00 6.14 7.57 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 24 Y 7.44 5.27 0.00 3.00 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 25 I 8.58 4.89 1.95 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 1.20 1.45 0.95 0.00 0.00 26 T 8.49 4.72 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 1.27 0.00 0.00 27 K 9.44 4.05 0.00 1.96 2.16 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.80 1.52 7.81 28 S 8.11 4.33 0.00 4.10 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 0.00 29 E 8.33 4.01 0.00 2.19 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 2.36 2.36 0.00 30 A 8.08 4.05 1.30 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 0.00 0.00 31 Q 8.37 4.29 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.95 0.00 32 A 7.65 4.08 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 33 L 7.55 4.27 0.00 1.92 1.77 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.64 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 0.00 0.00 0.00 35 W 8.29 4.46 0.00 3.20 3.22 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 36 V 8.73 3.77 1.92 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 0.64 0.00 0.00 0.79 0.00 0.00 37 A 7.63 3.69 0.94 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 0.00 0.00 38 S 7.97 4.37 0.00 3.84 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 39 K 7.85 4.29 0.00 1.84 1.78 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.33 7.81 40 G 7.12 3.31 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 41 N 7.92 4.83 0.00 2.90 3.01 0.00 0.00 5.71 6.67 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 42 L 8.48 3.95 0.00 1.42 1.69 0.42 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.07 4.09 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 44 D 7.90 4.46 0.00 2.84 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 45 V 7.77 4.13 2.32 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 0.93 0.00 0.00 1.12 0.00 0.00 46 A 7.98 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.38 0.00 2.03 2.02 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.31 0.00 48 G 8.83 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.62 4.73 0.00 1.73 1.59 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 50 S 8.25 4.47 0.00 2.96 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 51 I 7.87 4.27 1.81 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.19 0.82 0.00 0.00 52 G 9.49 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 0.00 0.00 0.00 0.00 53 G 9.48 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 0.00 0.00 0.00 0.00 54 D 7.81 4.75 0.00 2.71 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 55 I 8.35 4.35 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 1.23 0.48 0.95 0.00 0.00 56 F 9.01 4.74 0.00 3.02 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 57 S 8.23 3.95 0.00 3.69 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 58 N 6.51 3.91 0.00 2.80 2.77 0.00 0.00 7.26 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 *59 R 7.08 3.89 0.00 1.84 1.86 0.00 3.32 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 60 E 8.20 4.18 0.00 1.89 1.96 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 2.31 1.88 0.00 61 G 8.18 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 0.00 0.00 0.00 62 K 7.63 4.07 0.00 2.01 2.11 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.60 7.81 63 L 7.54 3.98 0.00 0.73 0.13 -0.62 -0.24 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 64 P 0.00 4.24 0.00 2.34 2.15 0.00 3.03 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 2.21 2.05 0.00 65 G 8.31 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 0.00 0.00 0.00 0.00 66 K 8.08 4.12 0.00 1.74 1.55 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.31 7.81 67 S 8.76 4.18 0.00 3.67 3.69 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 68 G 8.92 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 0.00 0.00 0.00 69 R 8.11 4.07 0.00 1.56 1.91 0.00 3.27 0.00 0.00 2.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.91 0.00 70 T 8.18 4.67 4.17 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 1.15 0.00 0.00 71 W 8.67 5.12 0.00 3.52 3.17 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 72 R 8.82 5.21 0.00 0.67 1.38 0.00 3.03 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.34 0.00 73 E 8.88 5.46 0.00 2.17 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 2.46 2.36 0.00 74 A 8.74 5.01 1.03 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 75 D 9.38 4.92 0.00 2.73 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 76 I 8.34 4.26 1.10 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 1.16 0.42 -0.08 0.00 0.00 77 N 8.99 4.38 0.00 2.78 2.88 0.00 0.00 6.90 7.32 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 78 Y 7.33 4.34 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.03 3.95 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 1.07 0.00 0.00 80 S 6.36 4.17 0.00 3.85 3.68 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 81 G 8.58 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 82 F 8.57 4.40 0.00 3.16 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 83 R 8.72 4.26 0.00 1.98 1.94 0.00 3.02 0.00 0.00 3.52 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 84 N 8.56 4.91 0.00 2.86 2.96 0.00 0.00 5.95 7.64 0.00 0.00 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 S 8.51 4.39 0.00 3.92 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 86 D 8.19 5.46 0.00 2.92 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 87 R 9.49 5.02 0.00 1.50 1.79 0.00 3.55 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.95 0.00 88 A 9.17 5.37 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 89 L 9.38 5.32 0.00 1.62 1.58 0.43 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.09 5.73 0.00 3.12 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 91 S 8.61 4.41 0.00 2.94 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 92 S 7.87 3.51 0.00 3.68 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 93 D 7.23 4.47 0.00 2.72 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 94 W 6.67 3.83 0.00 3.56 3.43 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 0.00 95 L 8.12 4.48 0.00 1.96 1.98 1.21 0.79 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 96 I 8.58 5.44 1.99 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 1.39 1.08 1.14 0.00 0.00 97 Y 9.61 5.15 0.00 2.93 2.96 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 98 K 9.38 5.37 0.00 1.22 1.64 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.98 1.11 7.81 99 T 8.86 4.92 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 1.06 0.00 0.00 100 T 8.84 5.05 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 1.34 0.00 0.00 101 D 7.56 4.77 0.00 2.85 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 0.00 102 H 8.35 3.33 0.00 3.34 3.47 0.00 6.00 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.30 3.17 0.00 3.19 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 0.00 104 Q 7.80 4.11 0.00 2.40 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 105 T 8.72 4.60 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 1.18 0.00 0.00 106 F 8.45 5.40 0.00 2.82 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 0.00 107 T 8.87 4.83 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 1.15 0.00 0.00 108 K 8.91 3.59 0.00 1.50 1.58 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 0.99 7.81 109 I 8.64 4.47 1.85 0.00 0.00 1.00 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 0.89 0.78 0.00 0.00 110 R 7.55 4.18 0.00 1.86 1.93 0.00 3.47 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.