NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4445 8.3049 118.1969 55.3538 32.0066 174.1844 2 E 4.2012 8.7185 118.1038 54.6226 30.8399 173.9825 3 L 4.5310 9.0899 125.1843 53.2118 42.8883 176.4990 4 K 4.3026 8.5679 123.8983 55.7797 32.7247 177.5967 5 N 4.6343 8.6307 118.1770 55.8547 39.0354 175.2556 6 S 4.7427 8.1280 111.3966 56.6582 66.5504 175.0613 7 I 3.7579 8.4449 121.4907 64.5072 36.7812 178.6995 8 S 4.6810 7.3340 112.9315 59.9101 62.8346 174.6694 9 D 4.5794 8.0645 119.9961 55.1329 41.3561 175.6992 10 Y 5.0136 8.0991 118.5595 56.3859 39.8838 175.8843 11 T 4.9322 8.8495 116.9624 60.3002 71.4044 175.8215 12 E 3.2425 8.5884 120.3120 59.3191 29.5335 179.3557 13 A 4.0022 7.9896 120.1446 55.4690 18.4996 179.4021 14 E 4.7033 8.3679 118.2522 59.1330 29.5135 179.4289 15 F 4.0288 8.4112 120.8939 61.0485 39.3693 177.4412 16 V 3.6367 7.9089 118.2110 65.9727 31.4132 178.0782 17 Q 3.9777 7.9548 117.5467 58.7327 28.5249 178.4041 18 L 3.9470 7.6337 121.0438 57.9713 41.9546 179.0702 19 L 3.7944 7.5360 119.0910 57.6179 41.5090 179.6247 20 K 3.9263 8.1941 118.5565 59.1545 31.9346 179.1078 21 E 3.9165 8.1413 119.9103 59.1402 29.4815 178.9110 22 I 3.6704 7.6972 119.9227 64.3438 36.9244 178.1231 23 E 3.8717 8.0886 118.5535 59.2332 29.4491 179.0393 24 K 4.0437 8.1257 119.5022 59.7647 32.3564 178.7904 25 E 4.0448 8.2883 118.4211 59.0003 29.0759 178.7151 26 N 4.4236 8.1421 116.8523 55.8894 38.9554 175.6658 27 V 4.1661 7.1711 110.8300 60.8058 31.9493 175.8183 28 A 4.2654 7.6505 123.1620 51.2268 19.0718 178.0544 29 A 4.0936 8.7037 123.0684 54.7676 18.3947 177.7727 30 T 4.6815 7.5642 102.5246 60.2408 71.8979 173.1396 31 D 4.8133 8.3051 117.9196 54.3905 39.9205 178.1451 32 D 4.3867 7.7583 120.5625 57.8746 40.7936 179.2493 33 V 3.8162 7.6609 117.6650 65.5708 31.6520 177.3027 34 L 3.9127 7.9749 119.7187 58.6687 41.8287 178.6242 35 D 4.3996 8.4206 118.7754 57.4108 40.7122 179.1269 36 V 3.9336 7.2702 119.1927 65.5034 31.5433 178.1772 37 L 4.1166 8.0034 118.8164 57.7220 41.3255 179.5043 38 L 4.1195 8.3545 119.5529 57.7045 41.0065 179.3187 39 E 4.0345 8.4572 118.7469 59.6424 29.4227 178.8474 40 H 4.2252 8.4344 118.3329 59.1240 29.9290 177.0793 41 F 4.0924 8.4989 122.5196 61.2949 39.3965 177.1619 42 V 3.5134 8.3438 118.1878 65.8190 31.0931 177.7474 43 K 3.8800 8.0689 118.4672 59.6776 32.1900 178.5405 44 I 3.8776 7.4924 112.0941 64.0136 37.6353 177.8881 45 T 3.7408 7.4523 110.9458 62.6478 68.6077 175.1317 46 E 3.7108 7.6089 117.3187 56.8849 27.9437 173.6054 47 H 2.9368 7.3244 119.8893 54.3309 30.3717 174.6072 48 P 4.1763 0.0000 0.0000 65.8493 31.2309 176.8721 49 D 4.5783 8.3380 116.7052 54.0555 42.6443 178.5655 50 G 3.9418 7.7384 109.7776 46.2128 0.0000 177.7153 51 T 4.1443 8.8707 118.7379 64.0726 68.4160 174.9569 52 D 4.6539 8.4982 122.5406 57.4841 40.5384 178.4039 53 L 4.1383 7.6703 118.5869 57.6003 41.6141 179.3300 54 I 3.7004 7.5259 118.8465 64.0950 37.4888 177.4388 55 Y 4.2651 7.6278 113.8606 58.7248 39.4757 175.4528 56 Y 4.7245 8.1619 117.6115 55.7923 39.1267 173.3691 57 P 4.4398 0.0000 0.0000 62.4931 32.7466 177.4651 58 S 4.3805 8.4167 116.2277 58.6696 63.3960 175.3553 59 D 4.4370 8.5779 122.8863 56.8937 40.7788 177.3080 60 N 4.6116 8.1017 114.8509 53.7780 37.6553 174.2450 61 R 4.7043 7.4402 114.7563 54.5143 32.9785 174.2573 62 D 4.4828 8.4030 118.0315 54.3742 41.3859 176.1752 63 D 4.8068 8.3699 124.0835 52.5157 39.7268 175.3558 64 S 4.5652 7.5364 117.7558 55.1796 67.2460 173.5506 65 P 4.2229 0.0000 0.0000 65.7771 30.8670 178.8990 66 E 4.0609 8.1713 117.0819 59.2830 29.4106 179.3782 67 G 3.8600 7.8737 106.6987 47.2828 0.0000 175.7057 68 I 3.7648 8.0632 122.7090 64.1372 37.1492 178.5904 69 V 3.5979 7.8552 118.9744 65.8415 31.2262 177.8590 70 K 3.9051 8.3235 119.4917 59.5649 32.0783 178.2054 71 E 3.9924 8.5195 119.8247 59.4592 29.4750 178.7794 72 I 3.8031 8.0986 119.9333 64.3303 37.3022 178.2821 73 K 4.0100 8.6352 120.8027 59.7096 32.0534 178.7010 74 E 4.0255 8.6258 119.1798 59.0349 29.2525 179.2334 75 W 3.9844 8.5266 128.4932 60.6200 30.8848 178.3839 76 R 3.6637 8.5489 118.0260 58.9510 29.4252 179.0453 77 A 3.8633 7.9075 120.2189 55.0075 18.2863 179.5006 78 A 3.9976 7.8484 117.5927 54.0694 18.3217 177.9595 79 N 4.4791 6.9287 113.2589 52.1263 38.8808 174.7104 80 G 3.8976 7.5986 105.2445 46.4996 0.0000 174.1961 81 K 4.5045 8.0019 117.8769 52.9789 34.1674 175.0640 82 P 4.1859 0.0000 0.0000 63.2639 31.6818 176.7140 83 G 3.8935 8.1894 110.5653 44.2140 0.0000 172.6461 84 F 4.7440 8.3204 117.2840 57.0959 39.6138 175.6097 85 K 4.2371 9.2961 123.1116 56.1014 33.3596 175.1600 86 Q 4.6352 8.7621 126.2306 55.6468 29.4179 176.0889 *87 G 3.7020 8.9143 119.0309 46.7297 0.0000 172.0903 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 M 8.30 4.44 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 2 E 8.72 4.20 0.00 2.03 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 2.25 2.32 0.00 3 L 9.09 4.53 0.00 1.55 1.26 0.86 0.91 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 4 K 8.57 4.30 0.00 1.52 1.69 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.53 0.27 7.81 5 N 8.63 4.63 0.00 2.75 2.92 0.00 0.00 6.73 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 6 S 8.13 4.74 0.00 3.91 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 7 I 8.44 3.76 1.65 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 -0.03 0.00 0.00 8 S 7.33 4.68 0.00 3.99 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 9 D 8.06 4.58 0.00 2.77 2.60 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 10 Y 8.10 5.01 0.00 3.48 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 11 T 8.85 4.93 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 1.32 0.00 0.00 12 E 8.59 3.24 0.00 1.89 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 1.56 2.17 0.00 13 A 7.99 4.00 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 14 E 8.37 4.70 0.00 2.52 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 0.00 2.42 2.28 0.00 15 F 8.41 4.03 0.00 3.24 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 16 V 7.91 3.64 2.27 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 0.97 0.00 0.00 0.98 0.00 0.00 17 Q 7.95 3.98 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 18 L 7.63 3.95 0.00 1.67 1.40 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.54 3.79 0.00 1.84 1.56 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.19 3.93 0.00 1.85 1.82 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.56 7.81 21 E 8.14 3.92 0.00 2.07 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 2.30 2.37 0.00 22 I 7.70 3.67 1.87 0.00 0.00 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 1.45 0.47 0.76 0.00 0.00 23 E 8.09 3.87 0.00 2.03 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 2.23 2.38 0.00 24 K 8.13 4.04 0.00 1.80 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 25 E 8.29 4.04 0.00 2.15 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 2.45 2.46 0.00 26 N 8.14 4.42 0.00 2.97 2.92 0.00 0.00 7.11 7.37 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 27 V 7.17 4.17 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 0.72 0.00 0.00 1.01 0.00 0.00 28 A 7.65 4.27 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 29 A 8.70 4.09 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 30 T 7.56 4.68 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 31 D 8.31 4.81 0.00 2.70 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 32 D 7.76 4.39 0.00 2.80 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 33 V 7.66 3.82 2.29 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 1.04 0.00 0.00 0.93 0.00 0.00 34 L 7.97 3.91 0.00 1.80 1.82 1.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.42 4.40 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.27 3.93 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 1.26 0.00 0.00 1.01 0.00 0.00 37 L 8.00 4.12 0.00 1.91 1.72 0.92 0.67 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 38 L 8.35 4.12 0.00 1.88 1.81 1.06 0.77 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 39 E 8.46 4.03 0.00 2.22 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 0.00 2.37 2.71 0.00 40 H 8.43 4.23 0.00 3.27 3.56 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.50 4.09 0.00 3.09 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 42 V 8.34 3.51 2.30 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 0.95 0.00 0.00 1.14 0.00 0.00 43 K 8.07 3.88 0.00 1.91 1.95 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 44 I 7.49 3.88 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.62 0.93 0.00 0.00 45 T 7.45 3.74 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 0.38 0.00 0.00 46 E 7.61 3.71 0.00 2.33 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 2.36 2.33 0.00 47 H 7.32 2.94 0.00 2.61 2.79 0.00 5.60 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.18 0.00 2.14 2.11 0.00 2.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 49 D 8.34 4.58 0.00 2.67 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 50 G 7.74 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 51 T 8.87 4.14 4.57 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 1.36 0.00 0.00 52 D 8.50 4.65 0.00 2.85 2.87 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 53 L 7.67 4.14 0.00 1.80 1.85 0.82 1.09 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 54 I 7.53 3.70 1.44 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.10 -0.20 0.00 0.00 55 Y 7.63 4.27 0.00 3.08 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 56 Y 8.16 4.72 0.00 3.01 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 57 P 0.00 4.44 0.00 2.17 2.03 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 58 S 8.42 4.38 0.00 3.91 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 0.00 59 D 8.58 4.44 0.00 2.68 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 60 N 8.10 4.61 0.00 2.85 2.96 0.00 0.00 5.81 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 61 R 7.44 4.70 0.00 1.83 1.92 0.00 3.13 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 62 D 8.40 4.48 0.00 2.73 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 63 D 8.37 4.81 0.00 2.61 2.56 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 0.00 0.00 0.00 0.00 64 S 7.54 4.57 0.00 4.12 3.89 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 0.00 0.00 0.00 65 P 0.00 4.22 0.00 2.16 2.13 0.00 3.57 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 2.08 2.25 0.00 66 E 8.17 4.06 0.00 2.05 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 2.39 2.42 0.00 67 G 7.87 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 68 I 8.06 3.76 2.12 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 1.19 0.00 0.00 69 V 7.86 3.60 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 0.75 0.00 0.00 1.07 0.00 0.00 70 K 8.32 3.91 0.00 1.96 1.99 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.48 7.81 71 E 8.52 3.99 0.00 2.10 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 0.00 2.37 2.45 0.00 72 I 8.10 3.80 2.15 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 1.37 0.67 0.78 0.00 0.00 73 K 8.64 4.01 0.00 2.07 2.13 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.58 7.81 74 E 8.63 4.03 0.00 2.26 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 2.37 2.65 0.00 75 W 8.53 3.98 0.00 3.49 3.42 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 76 R 8.55 3.66 0.00 1.92 1.89 0.00 3.05 0.00 0.00 2.92 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 77 A 7.91 3.86 1.35 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 0.00 0.00 78 A 7.85 4.00 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 79 N 6.93 4.48 0.00 1.73 2.24 0.00 0.00 6.96 8.99 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 80 G 7.60 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 0.00 0.00 0.00 81 K 8.00 4.50 0.00 1.67 1.66 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.32 7.81 82 P 0.00 4.19 0.00 2.12 2.03 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 83 G 8.19 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.32 4.74 0.00 2.98 3.14 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 85 K 9.30 4.24 0.00 2.10 1.79 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.47 7.81 86 Q 8.76 4.64 0.00 2.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.42 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 *87 G 8.91 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 * Residues marked with a * may have inaccurate shift predictions.