NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7179 8.2714 118.2143 52.4586 39.0124 174.6452 12 G 3.4499 8.4448 103.8893 47.0632 0.0000 170.7613 13 V 3.6501 8.0206 120.3549 65.8461 32.0194 175.8339 14 H 4.1897 8.9224 118.3623 59.4364 29.8050 176.6876 15 D 4.3209 7.9013 120.1431 57.4788 40.5867 178.7217 16 F 4.0894 8.3572 120.7188 61.5368 39.4251 177.2545 17 I 3.7708 8.2436 119.5008 64.4346 36.9475 178.4623 18 L 4.0604 8.0814 119.9186 57.6067 41.3953 179.7519 19 V 3.5405 7.7717 118.1992 66.1347 31.4917 178.4296 20 R 3.8706 7.5920 117.6408 58.9177 30.0185 178.6995 21 A 4.0227 8.5126 121.2357 55.6091 18.4081 179.9064 22 T 3.9281 8.1121 107.9299 64.6716 68.7790 176.6013 23 A 3.9733 8.1727 123.6929 55.0693 18.4618 179.5992 24 I 3.6717 7.8781 118.2083 64.5813 37.2382 178.7928 25 V 3.7197 7.7064 118.5333 66.2017 31.3128 178.1237 26 L 4.1725 8.5296 119.0770 57.9318 41.4196 179.6183 27 T 3.9309 8.4026 116.3390 66.6447 68.3189 176.7049 28 L 4.1760 8.0840 120.8514 57.9432 41.6013 178.8516 29 Y 3.1387 8.2165 119.5138 60.4691 38.5543 178.3508 30 I 3.6371 8.0932 120.8172 64.3370 37.1936 178.3272 31 I 3.6950 7.8526 120.6715 64.5418 36.9651 177.6805 32 Y 4.1819 8.2051 120.2904 61.0813 38.6409 178.2469 33 M 3.8901 8.0551 119.6523 58.3520 32.1043 178.7961 34 V 3.8113 8.6237 119.2279 66.0946 31.4470 177.9295 35 G 3.7606 8.1764 104.4781 48.0132 0.0000 174.8551 36 F 3.9259 7.8854 122.8487 61.0395 39.0566 177.0364 37 F 3.7980 7.8331 115.9811 60.4698 38.8873 177.0782 38 A 4.2841 8.2969 118.4507 53.3843 18.4944 177.7266 39 T 4.4929 7.3021 104.7665 60.6308 70.2362 175.2397 40 S 3.8463 7.6880 117.5146 59.2312 64.0911 176.1949 41 G 3.6359 7.4144 108.5864 45.4004 0.0000 173.1992 42 E 3.7374 8.7204 123.5085 56.8258 29.4733 177.7918 43 L 4.3439 8.2002 128.5954 54.0526 40.8665 176.4371 44 T 4.4471 7.5747 113.7267 60.3801 71.9145 174.9943 45 Y 4.3549 8.6188 122.4103 60.9572 38.7670 177.6981 46 E 3.7816 8.4324 119.6940 59.7956 29.5970 179.3047 47 V 3.7508 7.7466 112.0510 63.7405 31.5755 178.4734 48 W 4.5077 8.3877 128.3810 60.7861 30.6672 177.9501 49 I 3.6741 8.3174 119.1505 63.7140 37.0862 177.8866 50 G 3.6847 8.0311 106.2302 47.9584 0.0000 175.0752 51 F 4.1380 8.3507 123.4224 60.5482 39.1144 176.5897 52 F 3.7892 7.5991 114.5350 58.2739 39.0370 177.3781 53 A 4.0592 7.8449 120.8330 53.7389 18.7140 178.2201 54 S 4.0217 7.0927 111.9533 58.0645 63.2512 174.7233 55 A 3.9455 8.8095 129.3882 55.2604 18.0512 179.3340 56 F 3.7776 8.2078 118.4925 61.9031 39.3633 177.4424 57 T 3.7614 7.6742 114.6229 66.2768 68.1028 176.8801 58 K 3.8177 7.9180 120.3854 59.4051 32.0971 179.5109 59 V 3.3802 7.6112 118.1911 65.9099 31.4055 177.5170 60 F 4.1333 7.7151 120.2795 61.8158 39.1095 177.1566 61 T 3.4810 8.1532 115.2391 66.7017 68.3071 176.6784 62 L 3.8338 7.8176 120.7640 57.3570 41.4978 179.2752 63 L 4.0408 8.3607 120.7053 58.0638 42.0443 178.8276 64 A 3.8477 7.9947 120.8777 55.2070 18.1767 179.6087 65 L 3.9617 7.8440 117.3703 57.9089 41.6365 179.7889 66 F 4.1118 8.3420 117.7283 60.7678 38.8457 177.9484 67 S 4.2764 8.3909 114.8493 61.5605 62.5098 176.7417 68 I 3.7955 8.4567 122.9702 64.2380 36.9518 178.1008 69 L 4.0478 7.9491 121.1306 58.3082 41.9176 179.1335 70 I 3.8492 7.9380 119.5781 64.7336 37.2882 177.8926 71 H 4.1019 8.7810 119.1168 59.4461 29.8044 177.2328 72 A 4.1824 8.9380 123.1502 54.4782 18.1512 179.3448 73 W 4.4482 8.2234 126.6600 61.0070 30.9313 178.2709 74 I 3.3636 7.8219 119.7904 64.1068 36.6100 178.7939 75 G 3.5432 7.9101 106.1518 48.1660 0.0000 175.8365 76 M 4.1438 8.5663 121.7854 57.5857 31.9151 178.6974 77 W 3.6895 7.9259 128.9876 60.2336 30.4716 178.1122 78 Q 3.6403 7.7944 117.0503 58.6822 28.5487 178.5144 79 V 3.4867 7.4673 118.8207 66.0505 31.6235 178.1849 80 L 4.0024 7.7922 118.8952 57.5863 41.2539 178.7692 81 T 3.8489 7.1160 106.9594 62.7021 68.8889 175.5784 82 D 4.2938 7.0853 121.2692 55.8798 41.5514 176.6181 83 Y 4.7649 7.3727 112.9531 57.5879 39.5130 175.8895 84 V 4.2805 7.5505 119.5254 60.7688 31.8466 175.0636 85 K 4.0890 8.5264 125.4681 58.3467 32.6936 177.2792 86 P 4.3029 0.0000 0.0000 62.1967 32.2126 176.6711 87 L 3.9183 8.6379 124.4307 58.3362 42.1869 178.8775 88 A 3.9866 7.9698 120.1030 55.0510 18.3355 179.2120 89 L 3.8976 7.8415 118.3398 58.1950 42.2080 178.8849 90 R 3.9023 7.9991 118.6558 59.6260 30.0335 178.5400 91 L 4.0957 8.2522 118.9066 57.9900 41.5990 179.4182 92 M 4.0988 8.1687 118.7520 58.4631 31.8980 178.8442 93 L 4.0921 8.1928 119.1680 57.8613 41.7457 179.6099 94 Q 4.3403 8.6067 118.4933 58.7122 28.5954 178.4529 95 L 3.8353 8.1463 121.4824 58.1376 42.1068 178.9532 96 V 3.5564 7.8117 118.1080 66.2922 31.3338 178.1001 97 I 3.7207 7.9667 119.2448 64.3929 36.9199 178.6461 98 V 3.3511 8.1316 119.5400 65.7755 31.2750 178.1801 99 V 3.4323 7.8918 117.8947 65.8520 31.3169 177.7098 100 A 3.7096 8.0671 120.7124 55.1955 18.1123 179.6060 101 L 3.6050 7.7360 117.4107 57.7452 41.5669 180.0233 102 V 3.4911 7.9176 118.4872 65.9443 31.5057 178.2007 103 V 3.5875 8.2528 118.3219 66.0882 31.2887 177.3793 104 Y 4.4624 8.1561 116.9492 61.4073 37.7913 179.0317 105 V 3.5669 7.6616 118.4755 66.0157 31.7016 178.1524 106 I 3.7638 8.0784 119.7596 64.6239 37.0234 177.6704 107 Y 4.3648 8.7931 120.8859 60.6566 38.4846 178.3358 108 G 3.5963 8.3332 106.5590 48.0391 0.0000 175.5035 109 F 3.9534 8.3030 120.6392 60.2475 38.6862 178.0438 110 V 3.6349 7.4987 116.7083 65.6832 31.4185 178.1140 111 V 3.5371 7.5342 118.1271 65.9685 31.3761 178.5644 112 V 3.6293 7.9657 114.7770 64.6618 31.1945 179.0764 *113 W 4.2574 8.0271 121.9650 61.1433 28.0832 179.6847 114 G 4.0594 7.4542 102.0925 45.3017 0.0000 173.9561 115 V 3.9241 7.5579 125.9547 62.8537 31.5427 175.2238 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 11 N 8.27 4.72 0.00 2.96 3.05 0.00 0.00 6.02 6.12 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 12 G 8.44 3.45 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 0.00 13 V 8.02 3.65 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 1.14 0.00 0.00 0.89 0.00 0.00 14 H 8.92 4.19 0.00 3.33 3.43 0.00 5.68 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 15 D 7.90 4.32 0.00 2.94 2.71 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 16 F 8.36 4.09 0.00 3.28 3.26 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 17 I 8.24 3.77 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.73 0.95 0.00 0.00 18 L 8.08 4.06 0.00 1.78 1.70 0.73 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.77 3.54 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 0.87 0.00 0.00 0.88 0.00 0.00 20 R 7.59 3.87 0.00 1.80 1.87 0.00 2.44 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 0.00 21 A 8.51 4.02 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 22 T 8.11 3.93 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 1.32 0.00 0.00 23 A 8.17 3.97 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.88 3.67 2.06 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 1.43 1.06 0.96 0.00 0.00 25 V 7.71 3.72 2.28 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 1.17 0.00 0.00 1.01 0.00 0.00 26 L 8.53 4.17 0.00 1.75 1.75 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.40 3.93 4.46 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 0.00 0.00 0.00 1.26 0.00 0.00 28 L 8.08 4.18 0.00 2.22 2.09 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.22 3.14 0.00 2.71 3.02 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 0.00 0.00 0.00 30 I 8.09 3.64 2.04 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 1.59 0.91 0.94 0.00 0.00 31 I 7.85 3.69 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.99 0.00 0.00 32 Y 8.21 4.18 0.00 3.21 2.85 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 0.00 0.00 0.00 33 M 8.06 3.89 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.67 0.00 34 V 8.62 3.81 2.18 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 1.02 0.00 0.00 0.95 0.00 0.00 35 G 8.18 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.89 3.93 0.00 2.19 2.53 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 0.00 37 F 7.83 3.80 0.00 3.19 2.97 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 38 A 8.30 4.28 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 39 T 7.30 4.49 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 1.18 0.00 0.00 40 S 7.69 3.85 0.00 3.39 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.41 3.64 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 0.00 0.00 0.00 42 E 8.72 3.74 0.00 1.96 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 2.31 2.29 0.00 43 L 8.20 4.34 0.00 1.56 1.56 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.57 4.45 4.33 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 1.25 0.00 0.00 45 Y 8.62 4.35 0.00 3.12 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 46 E 8.43 3.78 0.00 2.13 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 0.00 2.41 2.43 0.00 47 V 7.75 3.75 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 1.24 0.00 0.00 48 W 8.39 4.51 0.00 3.64 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 49 I 8.32 3.67 1.40 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 1.35 1.31 0.69 0.00 0.00 50 G 8.03 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 0.00 0.00 0.00 51 F 8.35 4.14 0.00 2.57 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 52 F 7.60 3.79 0.00 2.69 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 53 A 7.84 4.06 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 54 S 7.09 4.02 0.00 3.95 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 A 8.81 3.95 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 56 F 8.21 3.78 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 57 T 7.67 3.76 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 0.01 0.00 0.00 58 K 7.92 3.82 0.00 1.83 1.74 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.56 7.81 59 V 7.61 3.38 1.80 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 0.81 0.00 0.00 0.87 0.00 0.00 60 F 7.72 4.13 0.00 2.66 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 61 T 8.15 3.48 4.37 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 1.24 0.00 0.00 62 L 7.82 3.83 0.00 1.58 1.40 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.36 4.04 0.00 1.75 1.97 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.99 3.85 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.96 0.00 1.72 1.66 0.85 0.91 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 66 F 8.34 4.11 0.00 3.29 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 67 S 8.39 4.28 0.00 4.06 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 68 I 8.46 3.80 2.09 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 0.98 1.08 0.00 0.00 69 L 7.95 4.05 0.00 1.81 2.00 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.94 3.85 1.98 0.00 0.00 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 1.52 0.66 0.98 0.00 0.00 71 H 8.78 4.10 0.00 3.32 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.94 4.18 1.53 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 0.00 0.00 0.00 73 W 8.22 4.45 0.00 3.49 3.39 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 74 I 7.82 3.36 1.79 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 1.31 0.90 0.84 0.00 0.00 75 G 7.91 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.57 4.14 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.95 0.00 77 W 7.93 3.69 0.00 1.78 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 78 Q 7.79 3.64 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.55 2.77 0.00 79 V 7.47 3.49 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 1.19 0.00 0.00 0.97 0.00 0.00 80 L 7.79 4.00 0.00 1.51 1.58 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.12 3.85 3.65 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 0.00 0.00 0.00 0.29 0.00 0.00 82 D 7.09 4.29 0.00 1.73 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 0.00 0.00 0.00 83 Y 7.37 4.76 0.00 2.93 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 84 V 7.55 4.28 2.16 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 0.82 0.00 0.00 0.97 0.00 0.00 85 K 8.53 4.09 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.30 0.00 2.16 1.99 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 87 L 8.64 3.92 0.00 1.76 1.68 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.97 3.99 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 89 L 7.84 3.90 0.00 1.78 1.68 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.00 3.90 0.00 2.06 2.05 0.00 3.06 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 91 L 8.25 4.10 0.00 1.76 1.75 0.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.17 4.10 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 93 L 8.19 4.09 0.00 1.92 1.78 0.95 0.90 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 94 Q 8.61 4.34 0.00 2.47 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 3.06 2.62 0.00 95 L 8.15 3.84 0.00 1.84 1.89 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.81 3.56 2.24 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 1.07 0.00 0.00 0.94 0.00 0.00 97 I 7.97 3.72 2.24 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 1.51 0.56 1.19 0.00 0.00 98 V 8.13 3.35 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 -0.23 0.00 0.00 99 V 7.89 3.43 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 0.89 0.00 0.00 0.92 0.00 0.00 100 A 8.07 3.71 1.12 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 0.00 101 L 7.74 3.60 0.00 1.75 1.73 1.20 0.83 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 0.00 102 V 7.92 3.49 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 1.01 0.00 0.00 0.87 0.00 0.00 103 V 8.25 3.59 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 0.85 0.00 0.00 0.95 0.00 0.00 104 Y 8.16 4.46 0.00 3.16 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 0.00 105 V 7.66 3.57 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 0.51 0.00 0.00 0.68 0.00 0.00 106 I 8.08 3.76 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.93 0.00 0.00 107 Y 8.79 4.36 0.00 3.09 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 0.00 108 G 8.33 3.60 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 0.00 0.00 0.00 109 F 8.30 3.95 0.00 3.33 3.09 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 0.00 110 V 7.50 3.63 2.18 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 0.78 0.00 0.00 1.03 0.00 0.00 111 V 7.53 3.54 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 0.76 0.00 0.00 0.28 0.00 0.00 112 V 7.97 3.63 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 0.62 0.00 0.00 0.83 0.00 0.00 *113 W 8.03 4.26 0.00 2.60 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 0.00 0.00 0.00 0.00 114 G 7.45 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 0.00 0.00 0.00 115 V 7.56 3.92 2.03 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 0.72 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.